A0A077ZDE5_TRITR Loading...

Reverse transcriptase family protein

AlphaFold DB , UniProt , Accession A0A077ZDE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 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
1M59.4Low77.2Confident149 Ų149104.7 Ų104.773%0.73452%0.521SS*.  01320-73-166.6-174.200107.6T53M1-T53 HydrophobicContact CE-CG2 4.01Å; M1-T53 HydrophobicContact SD-CG2 3.67Å
2D65.8Low78Confident140 Ų140105.2 Ų105.275%0.74953%0.526SS*.PPolyproline II helixtrans-74.7143.8-178.2-57.7-37.1000112.1
3A71.5Confident78.8Confident42 Ų4299.5 Ų99.535%0.34750%0.503SS..PPolyproline II helixtrans-61.6140.5171.700000110.1K5A3-K5 PolarHBondContact O-N 2.74Å
4R73.7Confident79.4Confident92 Ų9292.4 Ų92.435%0.34747%0.467SS..PPolyproline II helixtrans-64.7137.4172.8-70.1-160.3-137.1-11413.8109.7F6 P34 D49R4-F6 WeakPolarHBondContact O-CD1 3.39Å; R4-P34 HydrophobicContact CG-CB 4.49Å; R4-D49 IonicContact CZ-OD1 3.45Å; R4-D49 IonicContact CZ-OD2 3.23Å; R4-D49 IonicContact NE-OD2 3.03Å; R4-D49 IonicContact NH1-OD2 2.72Å; R4-D49 PolarHBondContact NH1-OD2 3.13Å; R4-D49 IonicContact NH2-OD1 3.55Å; R4-D49 PolarHBondContact NH2-OD1 3.22Å; R4-D49 IonicContact NH2-OD2 3.98Å; R4-D49 PolarHBondContact NH2-OD2 3.27Å
5K78.7Confident79.9Confident209 Ų20989.2 Ų89.291%0.90946%0.457SS*.PPolyproline II helixtrans-72.5140.3165.2-62-178.4-178.5179.50108.6A3A3-K5 PolarHBondContact O-N 2.74Å
6F79.1Confident80.5Confident28 Ų2892.1 Ų92.112%0.12347%0.468CS..  trans-135.7156.2173.850.9-93.7000109.8R4 L10 R11 I14 P37 M107 H108R4-F6 WeakPolarHBondContact O-CD1 3.39Å; F6-L10 HydrophobicContact CD2-CB 4.42Å; F6-R11 HydrophobicContact CD2-CG 4.18Å; F6-R11 HydrophobicContact CE2-CB 4.27Å; F6-R11 HydrophobicContact CE2-CG 3.44Å; F6-R11 VanDerWaalsContact CE2-CG 3.44Å; F6-R11 HydrophobicContact CZ-CG 4.28Å; F6-I14 HydrophobicContact CD1-CD1 4.38Å; F6-I14 HydrophobicContact CD2-CD1 3.4Å; F6-I14 HydrophobicContact CE1-CD1 4.4Å; F6-I14 HydrophobicContact CE2-CD1 3.37Å; F6-I14 HydrophobicContact CG-CD1 3.89Å; F6-I14 HydrophobicContact CZ-CD1 3.88Å; F6-P37 HydrophobicContact CB-CG 4.05Å; F6-P37 HydrophobicContact CG-CG 4.33Å; F6-M107 HydrophobicContact CE1-CG 3.91Å; F6-M107 HydrophobicContact CE1-SD 4.45Å; F6-M107 HydrophobicContact CZ-CG 3.93Å; F6-M107 HydrophobicContact CZ-SD 3.95Å; F6-H108 AromaticContact CE1-CD2 3.72Å; F6-H108 AromaticContact CE1-NE2 3.54Å; F6-H108 AromaticContact CE2-NE2 3.76Å; F6-H108 AromaticContact CZ-CD2 3.27Å; F6-H108 WeakPolarHBondContact CZ-CD2 3.47Å; F6-H108 AromaticContact CZ-NE2 3.11Å; F6-H108 WeakPolarHBondContact CZ-NE2 3.19Å
7P83.9Confident81Confident85 Ų8588.7 Ų88.755%0.55245%0.45SS*.  trans-52.4139178.2-2734000112.1V9 L10P7-V9 PolarHBondContact O-N 3Å; P7-L10 HydrophobicContact CB-CG 4.44Å; P7-L10 HydrophobicContact CG-CD1 4.33Å; P7-L10 PolarHBondContact O-N 3.35Å
8F83.8Confident81.3Confident147 Ų14783.9 Ų83.965%0.64543%0.425SS*.G310 helixtrans-55.1-37.9-179.8-175.7-92.3000112L10 R11F8-L10 PolarHBondContact O-N 2.94Å; F8-L10 VanDerWaalsContact O-N 3.13Å; F8-R11 VanDerWaalsContact O-CB 3.29Å; F8-R11 WeakPolarHBondContact O-CB 3.46Å; F8-R11 WeakPolarHBondContact O-CG 3.47Å; F8-R11 PolarHBondContact O-N 3.44Å
9V84.4Confident81.7Confident124 Ų12484.9 Ų84.975%0.75243%0.432SS*.G310 helixtrans-56.2-28.5178.3-176.50000113P7P7-V9 PolarHBondContact O-N 3Å
10L85.7Confident82.2Confident40 Ų4084.1 Ų84.121%0.20942%0.423CS..G310 helixtrans-84.8-10.7179.9-62.3-179.5000113.4F6 P7 F8 D12 S13 I14 A39F6-L10 HydrophobicContact CD2-CB 4.42Å; P7-L10 HydrophobicContact CB-CG 4.44Å; P7-L10 HydrophobicContact CG-CD1 4.33Å; P7-L10 PolarHBondContact O-N 3.35Å; F8-L10 PolarHBondContact O-N 2.94Å; F8-L10 VanDerWaalsContact O-N 3.13Å; L10-D12 PolarHBondContact O-N 3.14Å; L10-S13 PolarHBondContact O-N 3.42Å; L10-I14 HydrophobicContact CB-CD1 3.68Å; L10-I14 HydrophobicContact CB-CG1 4.24Å; L10-I14 WeakPolarHBondContact O-CB 3.29Å; L10-I14 VanDerWaalsContact O-CD1 3.31Å; L10-I14 WeakPolarHBondContact O-CD1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 2.93Å; L10-A39 HydrophobicContact CD2-CB 4.32Å
11R83.2Confident82.5Confident96 Ų9680.4 Ų80.436%0.36241%0.405SS..Hα-helixtrans-57-45.5-173.4-77177.6178.6-158.54.9113.4F6 F8 I14 S15F6-R11 HydrophobicContact CD2-CG 4.18Å; F6-R11 HydrophobicContact CE2-CB 4.27Å; F6-R11 HydrophobicContact CE2-CG 3.44Å; F6-R11 VanDerWaalsContact CE2-CG 3.44Å; F6-R11 HydrophobicContact CZ-CG 4.28Å; F8-R11 VanDerWaalsContact O-CB 3.29Å; F8-R11 WeakPolarHBondContact O-CB 3.46Å; F8-R11 WeakPolarHBondContact O-CG 3.47Å; F8-R11 PolarHBondContact O-N 3.44Å; R11-I14 PolarHBondContact O-N 3.21Å; R11-S15 WeakPolarHBondContact O-CB 3.26Å; R11-S15 PolarHBondContact O-N 3.43Å; R11-S15 PolarHBondContact O-OG 2.94Å
12D87Confident83.8Confident110 Ų11075.7 Ų75.759%0.58838%0.384SS*.Hα-helixtrans-69.6-45.3-176.6-62.9-22.4000110.6L10 I14 S15 Q16L10-D12 PolarHBondContact O-N 3.14Å; D12-I14 VanDerWaalsContact C-N 3.34Å; D12-I14 PolarHBondContact O-N 2.89Å; D12-S15 PolarHBondContact O-N 3.36Å; D12-Q16 WeakPolarHBondContact O-CB 3.39Å; D12-Q16 VanDerWaalsContact O-CG 3.26Å; D12-Q16 WeakPolarHBondContact O-CG 3.35Å; D12-Q16 PolarHBondContact O-N 3.19Å
13S88.3Confident85Confident32 Ų3277.4 Ų77.422%0.22438%0.38CS..Hα-helixtrans-61.5-41.5177.2-1730000112.1L10 Q16 E17 T44L10-S13 PolarHBondContact O-N 3.42Å; S13-Q16 PolarHBondContact O-N 2.91Å; S13-E17 PolarHBondContact O-N 3.4Å; S13-T44 WeakPolarHBondContact CB-OG1 3.4Å; S13-T44 WeakPolarHBondContact OG-CB 3.49Å; S13-T44 PolarHBondContact OG-OG1 3.07Å
14I87.4Confident85.8Confident0 Ų080 Ų800%039%0.388CS..Hα-helixtrans-64.8-44.6176.1-67.4164.8000110.8F6 L10 R11 D12 Q16 E17 L18 I35 P37 T44 I46 M107F6-I14 HydrophobicContact CD1-CD1 4.38Å; F6-I14 HydrophobicContact CD2-CD1 3.4Å; F6-I14 HydrophobicContact CE1-CD1 4.4Å; F6-I14 HydrophobicContact CE2-CD1 3.37Å; F6-I14 HydrophobicContact CG-CD1 3.89Å; F6-I14 HydrophobicContact CZ-CD1 3.88Å; L10-I14 HydrophobicContact CB-CD1 3.68Å; L10-I14 HydrophobicContact CB-CG1 4.24Å; L10-I14 WeakPolarHBondContact O-CB 3.29Å; L10-I14 VanDerWaalsContact O-CD1 3.31Å; L10-I14 WeakPolarHBondContact O-CD1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 2.93Å; R11-I14 PolarHBondContact O-N 3.21Å; D12-I14 VanDerWaalsContact C-N 3.34Å; D12-I14 PolarHBondContact O-N 2.89Å; I14-Q16 VanDerWaalsContact C-N 3.35Å; I14-E17 PolarHBondContact O-N 3.05Å; I14-L18 HydrophobicContact CG2-CD1 3.99Å; I14-L18 HydrophobicContact CG2-CG 4.47Å; I14-L18 WeakPolarHBondContact O-CG 2.93Å; I14-L18 PolarHBondContact O-N 3.49Å; I14-I35 HydrophobicContact CG2-CD1 3.8Å; I14-P37 HydrophobicContact CD1-CB 3.41Å; I14-P37 VanDerWaalsContact CD1-CB 3.41Å; I14-P37 HydrophobicContact CD1-CG 3.55Å; I14-P37 HydrophobicContact CG1-CB 3.6Å; I14-P37 HydrophobicContact CG1-CG 4.31Å; I14-T44 HydrophobicContact CG1-CG2 3.74Å; I14-I46 HydrophobicContact CB-CD1 4.39Å; I14-I46 HydrophobicContact CG1-CD1 4.43Å; I14-I46 HydrophobicContact CG2-CD1 3.71Å; I14-M107 HydrophobicContact CB-SD 4.29Å; I14-M107 HydrophobicContact CG2-CG 4.46Å; I14-M107 HydrophobicContact CG2-SD 3.19Å; I14-M107 WeakPolarHBondContact CG2-SD 3.49Å
15S86.7Confident86.4Confident44 Ų4479.5 Ų79.531%0.30840%0.398SS..Hα-helixtrans-64.5-40.5-179.9-580000111.5R11 D12 L18 N19R11-S15 WeakPolarHBondContact O-CB 3.26Å; R11-S15 PolarHBondContact O-N 3.43Å; R11-S15 PolarHBondContact O-OG 2.94Å; D12-S15 PolarHBondContact O-N 3.36Å; S15-L18 PolarHBondContact O-N 2.9Å; S15-N19 WeakPolarHBondContact O-CB 3.35Å; S15-N19 PolarHBondContact O-N 3.29Å; S15-N19 PolarHBondContact O-ND2 3.18Å
16Q90Very high86.7Confident136 Ų13670.3 Ų70.364%0.63636%0.36SS*.Hα-helixtrans-60.9-45.6174.1-73.5172.1700111.7D12 S13 I14 N19 R20D12-Q16 WeakPolarHBondContact O-CB 3.39Å; D12-Q16 VanDerWaalsContact O-CG 3.26Å; D12-Q16 WeakPolarHBondContact O-CG 3.35Å; D12-Q16 PolarHBondContact O-N 3.19Å; S13-Q16 PolarHBondContact O-N 2.91Å; I14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-N19 PolarHBondContact O-N 3.3Å; Q16-R20 PolarHBondContact O-N 2.81Å
17E88.9Confident87Confident34 Ų3469.7 Ų69.716%0.15936%0.358CS..Hα-helixtrans-67.2-41.9179.2178.162.8-178.700112.1S13 I14 N19 R20 L21 T44 I46S13-E17 PolarHBondContact O-N 3.4Å; I14-E17 PolarHBondContact O-N 3.05Å; E17-N19 VanDerWaalsContact C-N 3.34Å; E17-N19 PolarHBondContact O-N 3.17Å; E17-R20 WeakPolarHBondContact O-CB 3.14Å; E17-R20 PolarHBondContact O-N 2.92Å; E17-R20 VanDerWaalsContact O-N 3.15Å; E17-R20 IonicContact OE1-CZ 2.7Å; E17-R20 IonicContact OE1-NE 3.73Å; E17-R20 PolarHBondContact OE1-NE 2.9Å; E17-R20 IonicContact OE1-NH2 2.64Å; E17-R20 PolarHBondContact OE1-NH2 3.44Å; E17-R20 IonicContact OE2-CZ 3.54Å; E17-R20 IonicContact OE2-NE 2.67Å; E17-R20 PolarHBondContact OE2-NE 2.79Å; E17-R20 IonicContact OE2-NH2 3.49Å; E17-L21 HydrophobicContact CG-CD1 4.09Å; E17-L21 HydrophobicContact CG-CG 4.36Å; E17-L21 WeakPolarHBondContact O-CG 3.45Å; E17-L21 PolarHBondContact O-N 3.46Å; E17-T44 VanDerWaalsContact CG-O 3.25Å; E17-T44 WeakPolarHBondContact CG-O 3.21Å; E17-I46 HydrophobicContact CB-CG1 4.17Å; E17-I46 HydrophobicContact CG-CD1 4.42Å; E17-I46 HydrophobicContact CG-CG1 3.59Å
18L86.8Confident86.8Confident2 Ų268.4 Ų68.41%0.0135%0.348CS..Hα-helixtrans-59.9-45.3174.9-74.5170.5000111.5I14 S15 R20 L21 V22 L27 I46 M107 F112I14-L18 HydrophobicContact CG2-CD1 3.99Å; I14-L18 HydrophobicContact CG2-CG 4.47Å; I14-L18 WeakPolarHBondContact O-CG 2.93Å; I14-L18 PolarHBondContact O-N 3.49Å; S15-L18 PolarHBondContact O-N 2.9Å; L18-R20 VanDerWaalsContact C-N 3.27Å; L18-R20 PolarHBondContact O-N 3.42Å; L18-L21 PolarHBondContact O-N 2.87Å; L18-V22 WeakPolarHBondContact O-CG2 3.33Å; L18-V22 PolarHBondContact O-N 3.47Å; L18-L27 HydrophobicContact CD2-CD1 3.75Å; L18-I46 HydrophobicContact CD2-CG1 4.22Å; L18-I46 HydrophobicContact CD2-CG2 4.28Å; L18-I46 HydrophobicContact CG-CD1 4.41Å; L18-I46 HydrophobicContact CG-CG1 4.37Å; L18-M107 HydrophobicContact CD1-CB 4.11Å; L18-M107 HydrophobicContact CD1-CE 3.36Å; L18-M107 HydrophobicContact CD1-CG 4.37Å; L18-M107 HydrophobicContact CD1-SD 3.38Å; L18-M107 WeakPolarHBondContact CD1-SD 3.11Å; L18-F112 HydrophobicContact CB-CZ 4.49Å; L18-F112 HydrophobicContact CD1-CE2 3.88Å; L18-F112 HydrophobicContact CD1-CZ 4.33Å; L18-F112 HydrophobicContact CD2-CD2 4.01Å; L18-F112 HydrophobicContact CD2-CE2 4.05Å; L18-F112 HydrophobicContact CD2-CG 4.46Å; L18-F112 HydrophobicContact CG-CE2 4.44Å
19N88.3Confident86.2Confident104 Ų10465.1 Ų65.156%0.55634%0.342SS*.Hα-helixtrans-61.1-37175.8-71.9-21.7000112S15 Q16 E17 R23S15-N19 WeakPolarHBondContact O-CB 3.35Å; S15-N19 PolarHBondContact O-N 3.29Å; S15-N19 PolarHBondContact O-ND2 3.18Å; Q16-N19 PolarHBondContact O-N 3.3Å; E17-N19 VanDerWaalsContact C-N 3.34Å; E17-N19 PolarHBondContact O-N 3.17Å; N19-R23 WeakPolarHBondContact O-CB 3.01Å; N19-R23 PolarHBondContact O-N 3.17Å
20R91.2Very high85.5Confident67 Ų6761.3 Ų61.325%0.25332%0.319SS..Hα-helixtrans-63.7-48.3173.7-170.5-170.173.585.90.7111.2Q16 E17 L18 V22 R23 L24Q16-R20 PolarHBondContact O-N 2.81Å; E17-R20 WeakPolarHBondContact O-CB 3.14Å; E17-R20 PolarHBondContact O-N 2.92Å; E17-R20 VanDerWaalsContact O-N 3.15Å; E17-R20 IonicContact OE1-CZ 2.7Å; E17-R20 IonicContact OE1-NE 3.73Å; E17-R20 PolarHBondContact OE1-NE 2.9Å; E17-R20 IonicContact OE1-NH2 2.64Å; E17-R20 PolarHBondContact OE1-NH2 3.44Å; E17-R20 IonicContact OE2-CZ 3.54Å; E17-R20 IonicContact OE2-NE 2.67Å; E17-R20 PolarHBondContact OE2-NE 2.79Å; E17-R20 IonicContact OE2-NH2 3.49Å; L18-R20 VanDerWaalsContact C-N 3.27Å; L18-R20 PolarHBondContact O-N 3.42Å; R20-V22 PolarHBondContact O-N 3.37Å; R20-R23 PolarHBondContact O-N 2.89Å; R20-L24 HydrophobicContact CG-CD1 4.17Å; R20-L24 WeakPolarHBondContact O-CG 3.2Å; R20-L24 PolarHBondContact O-N 3.34Å
21L88.4Confident84.2Confident8 Ų866 Ų664%0.04234%0.34CS..Hα-helixtrans-65.4-37-179.2-67.9174.1000112.6E17 L18 L24 S25 V26 L27 I46E17-L21 HydrophobicContact CG-CD1 4.09Å; E17-L21 HydrophobicContact CG-CG 4.36Å; E17-L21 WeakPolarHBondContact O-CG 3.45Å; E17-L21 PolarHBondContact O-N 3.46Å; L18-L21 PolarHBondContact O-N 2.87Å; L21-L24 PolarHBondContact O-N 2.98Å; L21-S25 PolarHBondContact O-N 2.83Å; L21-V26 HydrophobicContact CB-CB 4.33Å; L21-V26 HydrophobicContact CD2-CB 4.1Å; L21-V26 HydrophobicContact CD2-CG1 3.96Å; L21-V26 HydrophobicContact CD2-CG2 4.41Å; L21-V26 WeakPolarHBondContact O-CB 3.33Å; L21-V26 PolarHBondContact O-N 2.93Å; L21-L27 HydrophobicContact CB-CB 4.27Å; L21-L27 HydrophobicContact CB-CD1 3.77Å; L21-L27 HydrophobicContact CB-CG 3.93Å; L21-L27 HydrophobicContact CD1-CD1 3.68Å; L21-L27 HydrophobicContact CD1-CG 4.33Å; L21-L27 HydrophobicContact CG-CD1 4.38Å; L21-L27 PolarHBondContact O-N 3.37Å; L21-I46 HydrophobicContact CD1-CB 4.12Å; L21-I46 HydrophobicContact CD1-CG1 4.19Å
22V87.6Confident83Confident50 Ų5069.2 Ų69.230%0.30335%0.353SS..Hα-helixtrans-66.3-43.9173.4172.60000111.1L18 R20 L24 S25 L27 F112L18-V22 WeakPolarHBondContact O-CG2 3.33Å; L18-V22 PolarHBondContact O-N 3.47Å; R20-V22 PolarHBondContact O-N 3.37Å; V22-L24 PolarHBondContact O-N 3.32Å; V22-S25 PolarHBondContact O-N 3.5Å; V22-L27 WeakPolarHBondContact CA-O 3.21Å; V22-L27 HydrophobicContact CG2-CB 4.17Å; V22-F112 HydrophobicContact CG2-CD1 3.81Å; V22-F112 HydrophobicContact CG2-CE1 3.68Å
23R90.3Very high81.6Confident176 Ų17664.9 Ų64.966%0.66433%0.33SS*.Hα-helixtrans-62.1-33.2176.7-178.217564-106.85.6112.7N19 R20 S25N19-R23 WeakPolarHBondContact O-CB 3.01Å; N19-R23 PolarHBondContact O-N 3.17Å; R20-R23 PolarHBondContact O-N 2.89Å; R23-S25 PolarHBondContact O-N 3.37Å
24L89.2Confident80.7Confident95 Ų9563.5 Ų63.550%0.49732%0.32SS..THydrogen-bonded Turntrans-83.65.6175.4-66.7175.8000113.2R20 L21 V22 V26R20-L24 HydrophobicContact CG-CD1 4.17Å; R20-L24 WeakPolarHBondContact O-CG 3.2Å; R20-L24 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 2.98Å; V22-L24 PolarHBondContact O-N 3.32Å; L24-V26 HydrophobicContact CB-CG2 4.04Å; L24-V26 PolarHBondContact O-N 3.38Å; L24-V26 VanDerWaalsContact O-N 3.07Å
25S85.8Confident80.2Confident82 Ų8263.7 Ų63.757%0.57332%0.322SS*.THydrogen-bonded Turntrans55.823.4-176.4-56.30000113.9L21 V22 R23 Q115L21-S25 PolarHBondContact O-N 2.83Å; V22-S25 PolarHBondContact O-N 3.5Å; R23-S25 PolarHBondContact O-N 3.37Å; S25-Q115 VanDerWaalsContact O-CB 3.26Å; S25-Q115 WeakPolarHBondContact O-CB 3.29Å; S25-Q115 WeakPolarHBondContact O-CG 3.34Å
26V85.7Confident79.9Confident17 Ų1762.9 Ų62.910%0.10331%0.314CS..SBendtrans-76.4-34.7173.2173.30000110.1L21 L24 Q91 Q115L21-V26 HydrophobicContact CB-CB 4.33Å; L21-V26 HydrophobicContact CD2-CB 4.1Å; L21-V26 HydrophobicContact CD2-CG1 3.96Å; L21-V26 HydrophobicContact CD2-CG2 4.41Å; L21-V26 WeakPolarHBondContact O-CB 3.33Å; L21-V26 PolarHBondContact O-N 2.93Å; L24-V26 HydrophobicContact CB-CG2 4.04Å; L24-V26 PolarHBondContact O-N 3.38Å; L24-V26 VanDerWaalsContact O-N 3.07Å; V26-Q91 HydrophobicContact CG1-CG 4.26Å; V26-Q115 PolarHBondContact O-N 2.67Å
27L83.7Confident79.6Confident14 Ų1457.5 Ų57.57%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-124.1141.6179.3-69.2-177.7000111.5L18 L21 V22 F112 E113 A114L18-L27 HydrophobicContact CD2-CD1 3.75Å; L21-L27 HydrophobicContact CB-CB 4.27Å; L21-L27 HydrophobicContact CB-CD1 3.77Å; L21-L27 HydrophobicContact CB-CG 3.93Å; L21-L27 HydrophobicContact CD1-CD1 3.68Å; L21-L27 HydrophobicContact CD1-CG 4.33Å; L21-L27 HydrophobicContact CG-CD1 4.38Å; L21-L27 PolarHBondContact O-N 3.37Å; V22-L27 WeakPolarHBondContact CA-O 3.21Å; V22-L27 HydrophobicContact CG2-CB 4.17Å; L27-F112 HydrophobicContact CB-CB 4.15Å; L27-F112 HydrophobicContact CB-CD1 4.39Å; L27-F112 HydrophobicContact CD1-CB 4.13Å; L27-F112 HydrophobicContact CD1-CG 4.45Å; L27-F112 HydrophobicContact CD2-CB 4.28Å; L27-F112 HydrophobicContact CG-CB 4.42Å; L27-E113 CarbonylContact C-O 3.39Å; L27-E113 VanDerWaalsContact CA-O 3.27Å; L27-E113 WeakPolarHBondContact CA-O 3.35Å; L27-A114 HydrophobicContact CD2-CB 4.3Å
28V79.7Confident79.4Confident58 Ų5857.8 Ų57.835%0.35230%0.295SS..EExtended strand (participates in β ladder)trans-125.6129.2175.6170.20000109.3V30 F112 E113 Q115V28-V30 PolarHBondContact O-N 3.16Å; V28-F112 CarbonylContact O-C 3.52Å; V28-F112 VanDerWaalsContact O-C 3.29Å; V28-F112 WeakPolarHBondContact O-CA 3.38Å; V28-E113 HydrophobicContact CB-CB 4.47Å; V28-E113 PolarHBondContact N-O 2.97Å; V28-E113 PolarHBondContact O-N 3.46Å; V28-Q115 HydrophobicContact CB-CG 4.48Å; V28-Q115 HydrophobicContact CG2-CG 3.54Å
29P72.3Confident79.3Confident79 Ų7961 Ų6151%0.51332%0.322SS..EExtended strand (participates in β ladder)trans-58.6131.2-176.9-23.833.5000114.2A111 F112P29-A111 CarbonylContact C-O 3.28Å; P29-A111 WeakPolarHBondContact CA-O 3.33Å; P29-F112 HydrophobicContact CB-CD1 4.44Å; P29-F112 HydrophobicContact CG-CD1 4.22Å; P29-F112 HydrophobicContact CG-CE1 4.13Å
30V69.6Low79.1Confident44 Ų4460.4 Ų60.427%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-147.1-157174.3-59.10000110.8V28 T104 A111 E113V28-V30 PolarHBondContact O-N 3.16Å; V30-T104 HydrophobicContact CB-CG2 4.49Å; V30-T104 HydrophobicContact CG2-CG2 3.06Å; V30-A111 HydrophobicContact CG2-CB 4.28Å; V30-A111 PolarHBondContact N-O 3.26Å; V30-A111 CarbonylContact O-C 3.29Å; V30-A111 WeakPolarHBondContact O-CA 3.38Å; V30-A111 WeakPolarHBondContact O-CB 3.27Å; V30-A111 PolarHBondContact O-N 2.91Å; V30-A111 VanDerWaalsContact O-O 3.12Å; V30-E113 HydrophobicContact CB-CB 4.23Å; V30-E113 HydrophobicContact CG1-CB 3.49Å; V30-E113 VanDerWaalsContact CG1-CB 3.49Å; V30-E113 HydrophobicContact CG1-CG 4.49Å; V30-E113 WeakPolarHBondContact CG1-OE2 3.46Å; V30-E113 HydrophobicContact CG2-CB 3.68Å; V30-E113 VanDerWaalsContact CG2-N 3.31Å
31E58.6Low78.7Confident139 Ų13967.1 Ų67.165%0.6535%0.35SS*.SBendtrans-105.6-20.7-170.5-59.3-169.3157.300118.6A111E31-A111 VanDerWaalsContact CA-CB 3.49Å; E31-A111 WeakPolarHBondContact O-CB 3.38Å
32Y57.4Low78.4Confident163 Ų16376.4 Ų76.464%0.63939%0.394SS*.  trans-154.2120.3-169.5-59.7-73000122.3T104 T106Y32-T104 WeakPolarHBondContact O-CB 3.08Å; Y32-T104 WeakPolarHBondContact O-CG2 3.47Å; Y32-T106 WeakPolarHBondContact CA-OG1 3.39Å
33T58.8Low78.2Confident19 Ų1975.5 Ų75.512%0.11739%0.394CS..  trans163.8127.9146.6-79.50000111.4I35 T53 T104 A105 T106T33-I35 PolarHBondContact O-N 3.38Å; T33-T53 HydrophobicContact CG2-CG2 3.92Å; T33-T104 VanDerWaalsContact CB-C 3.43Å; T33-T104 WeakPolarHBondContact CB-O 2.98Å; T33-T104 WeakPolarHBondContact CG2-O 3.48Å; T33-T104 PolarHBondContact OG1-O 3.05Å; T33-A105 CarbonylContact O-C 3.43Å; T33-A105 WeakPolarHBondContact O-CA 3.37Å; T33-T106 PolarHBondContact N-OG1 2.67Å; T33-T106 WeakPolarHBondContact O-CA 3.47Å; T33-T106 WeakPolarHBondContact O-CB 3.41Å; T33-T106 PolarHBondContact O-N 2.81Å
34P67.6Low78.1Confident2 Ų267.6 Ų67.61%0.01337%0.365CS..BIsolated β-bridgetrans-60.6135.9-173.822.9-31.9000116R4 D49R4-P34 HydrophobicContact CG-CB 4.49Å; P34-D49 HydrophobicContact CG-CB 4.13Å; P34-D49 WeakPolarHBondContact O-CB 3.43Å; P34-D49 PolarHBondContact O-N 3.31Å; P34-D49 VanDerWaalsContact O-N 3.08Å
35I78.8Confident77.9Confident5 Ų567.8 Ų67.83%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-79.9159.2168.964.8160.8000113.1I14 T33 I46 C47 A105 T106 M107I14-I35 HydrophobicContact CG2-CD1 3.8Å; T33-I35 PolarHBondContact O-N 3.38Å; I35-I46 HydrophobicContact CB-CG2 4.18Å; I35-I46 HydrophobicContact CD1-CD1 4.16Å; I35-I46 HydrophobicContact CG2-CG2 3.92Å; I35-C47 CarbonylContact C-O 3.45Å; I35-A105 HydrophobicContact CG2-CB 3.51Å; I35-T106 WeakPolarHBondContact CG1-O 3.41Å; I35-T106 PolarHBondContact N-O 3.15Å; I35-M107 HydrophobicContact CD1-CB 3.6Å; I35-M107 HydrophobicContact CD1-CG 3.69Å; I35-M107 HydrophobicContact CD1-SD 4.01Å; I35-M107 HydrophobicContact CG1-CB 3.91Å; I35-M107 HydrophobicContact CG1-CG 4.26Å
36V80.5Confident77.9Confident26 Ų2665.2 Ų65.216%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-128.598.1174.1-158.60000107.5C47 D49V36-C47 WeakPolarHBondContact CA-O 3.44Å; V36-C47 HydrophobicContact CB-CB 4.23Å; V36-C47 WeakPolarHBondContact CB-O 3.33Å; V36-C47 WeakPolarHBondContact CG2-O 3.41Å; V36-C47 PolarHBondContact N-O 3.49Å; V36-C47 PolarHBondContact O-N 3.09Å; V36-D49 HydrophobicContact CG2-CB 3.7Å
37P82.9Confident77.7Confident24 Ų2464.7 Ų64.716%0.15634%0.336CS..EExtended strand (participates in β ladder)trans-70.2136.317131.5-35000109.4F6 I14 T44F6-P37 HydrophobicContact CB-CG 4.05Å; F6-P37 HydrophobicContact CG-CG 4.33Å; I14-P37 HydrophobicContact CD1-CB 3.41Å; I14-P37 VanDerWaalsContact CD1-CB 3.41Å; I14-P37 HydrophobicContact CD1-CG 3.55Å; I14-P37 HydrophobicContact CG1-CB 3.6Å; I14-P37 HydrophobicContact CG1-CG 4.31Å; P37-T44 HydrophobicContact CB-CG2 3.68Å
38V85.1Confident77.6Confident39 Ų3964.4 Ų64.424%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-121.1116.6172.3-177.30000106.8E40 R45V38-E40 HydrophobicContact CG1-CG 4.36Å; V38-R45 HydrophobicContact CB-CB 4.5Å; V38-R45 PolarHBondContact N-O 3.24Å; V38-R45 PolarHBondContact O-N 3.09Å
39A83.7Confident77.6Confident70 Ų7062 Ų6258%0.57932%0.322SS*.EExtended strand (participates in β ladder)trans-70.6132.2174.600000109.6L10L10-A39 HydrophobicContact CD2-CB 4.32Å
40E84.9Confident77.9Confident91 Ų9158.7 Ų58.743%0.42530%0.299SS..EExtended strand (participates in β ladder)trans-133.5166.5177.2-60.5-168.8146.400108.9V38 E42 G43 R45V38-E40 HydrophobicContact CG1-CG 4.36Å; E40-E42 VanDerWaalsContact C-N 3.29Å; E40-E42 PolarHBondContact O-N 2.91Å; E40-G43 CarbonylContact C-O 3.43Å; E40-G43 WeakPolarHBondContact CA-O 3.2Å; E40-G43 PolarHBondContact N-O 2.63Å; E40-G43 PolarHBondContact O-N 2.89Å; E40-R45 HydrophobicContact CG-CB 4.48Å; E40-R45 IonicContact OE1-CZ 2.83Å; E40-R45 IonicContact OE1-NE 2.72Å; E40-R45 IonicContact OE1-NH1 3.67Å; E40-R45 PolarHBondContact OE1-NH1 3.11Å; E40-R45 IonicContact OE1-NH2 2.91Å; E40-R45 PolarHBondContact OE1-NH2 3.09Å; E40-R45 IonicContact OE2-CZ 3.99Å; E40-R45 IonicContact OE2-NH1 3.59Å
41E82.4Confident78.4Confident208 Ų20864.7 Ų64.797%0.97232%0.321SS*.THydrogen-bonded Turntrans-61.7-37.6-178.1-65.4-178.8176.500112.3G43E41-G43 VanDerWaalsContact C-N 3.32Å; E41-G43 PolarHBondContact O-N 3.43Å
42E82.3Confident79.2Confident204 Ų20463.3 Ų63.395%0.95331%0.31SS*.THydrogen-bonded Turntrans-86.32.6-179.1-61.5-173.1167.700113.8E40E40-E42 VanDerWaalsContact C-N 3.29Å; E40-E42 PolarHBondContact O-N 2.91Å
43G84Confident80.1Confident30 Ų3056.7 Ų56.731%0.30929%0.287SS..EExtended strand (participates in β ladder)trans138-154.2179.300000113.5E40 E41E40-G43 CarbonylContact C-O 3.43Å; E40-G43 WeakPolarHBondContact CA-O 3.2Å; E40-G43 PolarHBondContact N-O 2.63Å; E40-G43 PolarHBondContact O-N 2.89Å; E41-G43 VanDerWaalsContact C-N 3.32Å; E41-G43 PolarHBondContact O-N 3.43Å
44T86.6Confident81Confident10 Ų1056.4 Ų56.46%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-105.9124.6178.1-64.10000110.5S13 I14 E17 P37 I46S13-T44 WeakPolarHBondContact CB-OG1 3.4Å; S13-T44 WeakPolarHBondContact OG-CB 3.49Å; S13-T44 PolarHBondContact OG-OG1 3.07Å; I14-T44 HydrophobicContact CG1-CG2 3.74Å; E17-T44 VanDerWaalsContact CG-O 3.25Å; E17-T44 WeakPolarHBondContact CG-O 3.21Å; P37-T44 HydrophobicContact CB-CG2 3.68Å; T44-I46 HydrophobicContact CG2-CD1 4.27Å
45R86.4Confident81.7Confident100 Ų10057.1 Ų57.138%0.37729%0.289SS..EExtended strand (participates in β ladder)trans-87.3125.6169.9-174.2175.868.3-145.4-15.7110.8V38 E40V38-R45 HydrophobicContact CB-CB 4.5Å; V38-R45 PolarHBondContact N-O 3.24Å; V38-R45 PolarHBondContact O-N 3.09Å; E40-R45 HydrophobicContact CG-CB 4.48Å; E40-R45 IonicContact OE1-CZ 2.83Å; E40-R45 IonicContact OE1-NE 2.72Å; E40-R45 IonicContact OE1-NH1 3.67Å; E40-R45 PolarHBondContact OE1-NH1 3.11Å; E40-R45 IonicContact OE1-NH2 2.91Å; E40-R45 PolarHBondContact OE1-NH2 3.09Å; E40-R45 IonicContact OE2-CZ 3.99Å; E40-R45 IonicContact OE2-NH1 3.59Å
46I85.4Confident81.8Confident27 Ų2764.2 Ų64.214%0.13832%0.319CS..EExtended strand (participates in β ladder)trans-84.6124.2172.8-54.5-59.1000109.8I14 E17 L18 L21 I35 T44I14-I46 HydrophobicContact CB-CD1 4.39Å; I14-I46 HydrophobicContact CG1-CD1 4.43Å; I14-I46 HydrophobicContact CG2-CD1 3.71Å; E17-I46 HydrophobicContact CB-CG1 4.17Å; E17-I46 HydrophobicContact CG-CD1 4.42Å; E17-I46 HydrophobicContact CG-CG1 3.59Å; L18-I46 HydrophobicContact CD2-CG1 4.22Å; L18-I46 HydrophobicContact CD2-CG2 4.28Å; L18-I46 HydrophobicContact CG-CD1 4.41Å; L18-I46 HydrophobicContact CG-CG1 4.37Å; L21-I46 HydrophobicContact CD1-CB 4.12Å; L21-I46 HydrophobicContact CD1-CG1 4.19Å; I35-I46 HydrophobicContact CB-CG2 4.18Å; I35-I46 HydrophobicContact CD1-CD1 4.16Å; I35-I46 HydrophobicContact CG2-CG2 3.92Å; T44-I46 HydrophobicContact CG2-CD1 4.27Å
47C82.1Confident81.9Confident6 Ų667.3 Ų67.34%0.04135%0.348CS..EExtended strand (participates in β ladder)trans-120.7138.3172.6-680000110I35 V36I35-C47 CarbonylContact C-O 3.45Å; V36-C47 WeakPolarHBondContact CA-O 3.44Å; V36-C47 HydrophobicContact CB-CB 4.23Å; V36-C47 WeakPolarHBondContact CB-O 3.33Å; V36-C47 WeakPolarHBondContact CG2-O 3.41Å; V36-C47 PolarHBondContact N-O 3.49Å; V36-C47 PolarHBondContact O-N 3.09Å
48G80.2Confident81.9Confident8 Ų868.2 Ų68.28%0.08235%0.351CS..EExtended strand (participates in β ladder)trans-72.6143.3168.900000111.7Y50G48-Y50 PolarHBondContact O-N 3.49Å
49D79.6Confident81.7Confident9 Ų975 Ų755%0.04838%0.377CS..  trans-81.658.9173.6-169.112000112.7R4 P34 V36 K51 R52 T53R4-D49 IonicContact CZ-OD1 3.45Å; R4-D49 IonicContact CZ-OD2 3.23Å; R4-D49 IonicContact NE-OD2 3.03Å; R4-D49 IonicContact NH1-OD2 2.72Å; R4-D49 PolarHBondContact NH1-OD2 3.13Å; R4-D49 IonicContact NH2-OD1 3.55Å; R4-D49 PolarHBondContact NH2-OD1 3.22Å; R4-D49 IonicContact NH2-OD2 3.98Å; R4-D49 PolarHBondContact NH2-OD2 3.27Å; P34-D49 HydrophobicContact CG-CB 4.13Å; P34-D49 WeakPolarHBondContact O-CB 3.43Å; P34-D49 PolarHBondContact O-N 3.31Å; P34-D49 VanDerWaalsContact O-N 3.08Å; V36-D49 HydrophobicContact CG2-CB 3.7Å; D49-K51 PolarHBondContact O-N 3.26Å; D49-K51 VanDerWaalsContact O-N 3.09Å; D49-R52 PolarHBondContact O-N 3.43Å; D49-R52 WeakPolarHBondContact OD2-CD 3.41Å; D49-R52 VanDerWaalsContact OD2-CG 3.28Å; D49-R52 WeakPolarHBondContact OD2-CG 3.46Å; D49-T53 PolarHBondContact O-N 3.04Å; D49-T53 PolarHBondContact O-OG1 3.07Å
50Y79.2Confident81.3Confident8 Ų879.6 Ų79.63%0.03138%0.384CS..THydrogen-bonded Turntrans-62.8-21.7-177.1-56.5-51.9000113G48 R52 T53 V54 N55 Q103 S118 V119 R120G48-Y50 PolarHBondContact O-N 3.49Å; Y50-R52 VanDerWaalsContact C-N 3.3Å; Y50-R52 PolarHBondContact O-N 3.05Å; Y50-T53 WeakPolarHBondContact CA-OG1 3.12Å; Y50-T53 CarbonylContact O-C 3.5Å; Y50-T53 PolarHBondContact O-N 3.38Å; Y50-V54 HydrophobicContact CD1-CG1 3.34Å; Y50-V54 HydrophobicContact CE1-CG1 4.14Å; Y50-V54 HydrophobicContact CG-CG1 4.08Å; Y50-N55 VanDerWaalsContact C-ND2 3.34Å; Y50-N55 WeakPolarHBondContact CB-ND2 3.28Å; Y50-N55 WeakPolarHBondContact O-CA 3.5Å; Y50-N55 WeakPolarHBondContact O-CB 2.96Å; Y50-N55 VanDerWaalsContact O-CG 3.31Å; Y50-N55 PolarHBondContact O-N 3.42Å; Y50-N55 PolarHBondContact O-ND2 2.92Å; Y50-Q103 HydrophobicContact CE1-CB 4.25Å; Y50-Q103 HydrophobicContact CE1-CG 4.43Å; Y50-Q103 PolarHBondContact OH-O 3.39Å; Y50-S118 VanDerWaalsContact CE2-CB 3.48Å; Y50-S118 WeakPolarHBondContact CE2-OG 2.94Å; Y50-S118 WeakPolarHBondContact OH-CB 3.49Å; Y50-S118 PolarHBondContact OH-OG 3.07Å; Y50-V119 WeakPolarHBondContact CE2-O 3.48Å; Y50-R120 HydrophobicContact CD2-CB 4.37Å
51K80.8Confident80.6Confident170 Ų17079.2 Ų79.274%0.73939%0.385SS*.THydrogen-bonded Turntrans-59.6-38.3174.3-174.7178.1-180179.60112.2D49D49-K51 PolarHBondContact O-N 3.26Å; D49-K51 VanDerWaalsContact O-N 3.09Å
52R75.6Confident79.9Confident111 Ų11176.7 Ų76.742%0.41938%0.378SS..THydrogen-bonded Turntrans-85.4-25.5178.7-71.3-178.778.1-170.2-1.7112.9D49 Y50D49-R52 PolarHBondContact O-N 3.43Å; D49-R52 WeakPolarHBondContact OD2-CD 3.41Å; D49-R52 VanDerWaalsContact OD2-CG 3.28Å; D49-R52 WeakPolarHBondContact OD2-CG 3.46Å; Y50-R52 VanDerWaalsContact C-N 3.3Å; Y50-R52 PolarHBondContact O-N 3.05Å
53T75.2Confident79.6Confident24 Ų2469.8 Ų69.815%0.14734%0.343CS..THydrogen-bonded Turntrans-105-115.7-174.959.30000111.3M1 T33 D49 Y50 N55 K56M1-T53 HydrophobicContact CE-CG2 4.01Å; M1-T53 HydrophobicContact SD-CG2 3.67Å; T33-T53 HydrophobicContact CG2-CG2 3.92Å; D49-T53 PolarHBondContact O-N 3.04Å; D49-T53 PolarHBondContact O-OG1 3.07Å; Y50-T53 WeakPolarHBondContact CA-OG1 3.12Å; Y50-T53 CarbonylContact O-C 3.5Å; Y50-T53 PolarHBondContact O-N 3.38Å; T53-N55 VanDerWaalsContact C-N 3.27Å; T53-N55 PolarHBondContact O-N 3.29Å; T53-N55 VanDerWaalsContact O-N 3.15Å; T53-K56 PolarHBondContact O-N 3.39Å; T53-K56 VanDerWaalsContact O-N 3.13Å
54V78.9Confident79.3Confident12 Ų1276 Ų767%0.07336%0.364CS..G310 helixtrans-54.9-37.7-167.224.20000112.4Y50 K56 A57 L58 L102 H121Y50-V54 HydrophobicContact CD1-CG1 3.34Å; Y50-V54 HydrophobicContact CE1-CG1 4.14Å; Y50-V54 HydrophobicContact CG-CG1 4.08Å; V54-K56 PolarHBondContact O-N 3.15Å; V54-A57 PolarHBondContact O-N 2.85Å; V54-L58 HydrophobicContact CG2-CD1 3.9Å; V54-L58 HydrophobicContact CG2-CD2 3.87Å; V54-L58 HydrophobicContact CG2-CG 3.73Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 3.19Å; V54-L58 VanDerWaalsContact O-N 3.12Å; V54-L102 VanDerWaalsContact CG1-O 3.28Å; V54-L102 WeakPolarHBondContact CG1-O 3.06Å; V54-H121 WeakPolarHBondContact CG2-CD2 3.07Å; V54-H121 VanDerWaalsContact CG2-NE2 3.28Å; V54-H121 WeakPolarHBondContact CG2-NE2 3.47Å
55N81.6Confident79.1Confident18 Ų1881.4 Ų81.410%0.09639%0.391CS..G310 helixtrans-56.9-32.5-176.6-72-25.1000112Y50 T53 A57 L58 R120 H121 R122Y50-N55 VanDerWaalsContact C-ND2 3.34Å; Y50-N55 WeakPolarHBondContact CB-ND2 3.28Å; Y50-N55 WeakPolarHBondContact O-CA 3.5Å; Y50-N55 WeakPolarHBondContact O-CB 2.96Å; Y50-N55 VanDerWaalsContact O-CG 3.31Å; Y50-N55 PolarHBondContact O-N 3.42Å; Y50-N55 PolarHBondContact O-ND2 2.92Å; T53-N55 VanDerWaalsContact C-N 3.27Å; T53-N55 PolarHBondContact O-N 3.29Å; T53-N55 VanDerWaalsContact O-N 3.15Å; N55-A57 VanDerWaalsContact C-N 3.29Å; N55-A57 PolarHBondContact O-N 3.1Å; N55-L58 PolarHBondContact O-N 3.06Å; N55-L58 WeakPolarHBondContact OD1-CD1 3.22Å; N55-R120 PolarHBondContact ND2-O 3.09Å; N55-H121 WeakPolarHBondContact OD1-CA 3.36Å; N55-R122 HydrophobicContact CB-CG 4.18Å; N55-R122 PolarHBondContact O-NE 3.39Å; N55-R122 PolarHBondContact O-NH2 2.98Å; N55-R122 PolarHBondContact OD1-N 3.44Å; N55-R122 VanDerWaalsContact OD1-N 3.07Å
56K81.4Confident79Confident153 Ų15379.6 Ų79.667%0.66539%0.392SS*.G310 helixtrans-64-32.4177.4-67-177.4177.7176.20113.5T53 V54T53-K56 PolarHBondContact O-N 3.39Å; T53-K56 VanDerWaalsContact O-N 3.13Å; V54-K56 PolarHBondContact O-N 3.15Å
57A82.7Confident79.2Confident91 Ų9180.5 Ų80.575%0.75240%0.404SS*.THydrogen-bonded Turntrans-90-19.3-178.100000113V54 N55V54-A57 PolarHBondContact O-N 2.85Å; N55-A57 VanDerWaalsContact C-N 3.29Å; N55-A57 PolarHBondContact O-N 3.1Å
58L80.9Confident79.7Confident44 Ų4485.3 Ų85.323%0.2343%0.433CS..SBendtrans-67.9138.1178.1-63.1170.2000112.4V54 N55 H121 R122V54-L58 HydrophobicContact CG2-CD1 3.9Å; V54-L58 HydrophobicContact CG2-CD2 3.87Å; V54-L58 HydrophobicContact CG2-CG 3.73Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 3.19Å; V54-L58 VanDerWaalsContact O-N 3.12Å; N55-L58 PolarHBondContact O-N 3.06Å; N55-L58 WeakPolarHBondContact OD1-CD1 3.22Å; L58-H121 WeakPolarHBondContact CD1-CD2 3.32Å; L58-H121 WeakPolarHBondContact CD1-CE1 3.39Å; L58-H121 WeakPolarHBondContact CD1-NE2 3.35Å; L58-H121 VanDerWaalsContact CD2-CE1 3.48Å; L58-H121 WeakPolarHBondContact CD2-CE1 2.89Å; L58-H121 WeakPolarHBondContact CD2-NE2 3.28Å; L58-H121 WeakPolarHBondContact CG-NE2 3.36Å; L58-R122 HydrophobicContact CD1-CB 3.96Å; L58-R122 HydrophobicContact CD1-CG 4.2Å
59K81.1Confident80.3Confident181 Ų18188.3 Ų88.379%0.78745%0.453SS*.  trans-60.9143162.2-66.6-177.9-179.3177.60109D61K59-D61 PolarHBondContact O-N 3.47Å; K59-D61 VanDerWaalsContact O-N 3.11Å
60K75.6Confident80.8Confident166 Ų16692.1 Ų92.172%0.72247%0.473SS*.  trans-72.3103.8170.5-70-179-177.6175.90107.1L62K60-L62 PolarHBondContact O-N 2.87Å
61D70.8Confident81.3Confident83 Ų8395.6 Ų95.644%0.44449%0.491SS..  trans-71.7116.6170.4-63.1-34.5000108.5K59 Y63 S123K59-D61 PolarHBondContact O-N 3.47Å; K59-D61 VanDerWaalsContact O-N 3.11Å; D61-Y63 VanDerWaalsContact C-N 3.26Å; D61-Y63 PolarHBondContact O-N 2.83Å; D61-S123 WeakPolarHBondContact OD2-CB 3.34Å
62L67.9Low81.7Confident156 Ų15691.3 Ų91.382%0.81748%0.476SS*.  trans-85.973.3171.3-65.8174.3000108.1K60K60-L62 PolarHBondContact O-N 2.87Å
63Y74.7Confident82.5Confident58 Ų5890 Ų9023%0.22748%0.48CS..  trans-84.7127.2168.9175.9-110.3000110D61 I65 W126 S129 E133D61-Y63 VanDerWaalsContact C-N 3.26Å; D61-Y63 PolarHBondContact O-N 2.83Å; Y63-I65 HydrophobicContact CD1-CG1 3.87Å; Y63-I65 HydrophobicContact CE1-CG1 3.9Å; Y63-I65 PolarHBondContact O-N 2.87Å; Y63-W126 AromaticContact CD2-CD1 3.29Å; Y63-W126 HydrophobicContact CD2-CG 4.4Å; Y63-W126 AromaticContact CD2-NE1 3.81Å; Y63-W126 AromaticContact CE2-CD1 3.82Å; Y63-W126 HydrophobicContact CG-CB 4.33Å; Y63-W126 AromaticContact CG-CD1 3.46Å; Y63-W126 VanDerWaalsContact CG-CD1 3.46Å; Y63-W126 HydrophobicContact CG-CG 4.22Å; Y63-S129 PolarHBondContact OH-OG 3.22Å; Y63-E133 PolarHBondContact OH-OE1 3.41Å
64H78.8Confident83.1Confident161 Ų16193.6 Ų93.675%0.74550%0.502SS*.  trans-80.6103.2173.8-67.1-81.2000109.5
65I82.1Confident83.6Confident123 Ų12397 Ų9763%0.63152%0.52SS*.PPolyproline II helixtrans-69.8128.3164.4-64.5164.2000107Y63 A67Y63-I65 HydrophobicContact CD1-CG1 3.87Å; Y63-I65 HydrophobicContact CE1-CG1 3.9Å; Y63-I65 PolarHBondContact O-N 2.87Å; I65-A67 PolarHBondContact O-N 3.13Å
66P84.8Confident83.9Confident62 Ų62104.1 Ų104.140%0.40355%0.55SS..PPolyproline II helixtrans-53.4139.7177.8-25.833.8000111.4I71P66-I71 HydrophobicContact CB-CD1 4.27Å; P66-I71 HydrophobicContact CB-CG1 4.02Å
67A89.9Confident84.2Confident47 Ų47105.4 Ų105.439%0.38856%0.555SS.*PPolyproline II helixtrans-63.8147.7176.100000109.5I65 S69 D70 I71I65-A67 PolarHBondContact O-N 3.13Å; A67-S69 WeakPolarHBondContact CB-OG 3.46Å; A67-S69 PolarHBondContact O-N 3.12Å; A67-S69 VanDerWaalsContact O-N 3.14Å; A67-D70 PolarHBondContact N-OD2 3.15Å; A67-D70 WeakPolarHBondContact O-CB 3.46Å; A67-D70 PolarHBondContact O-N 3.31Å; A67-I71 PolarHBondContact O-N 2.94Å
68V91.2Very high84.5Confident107 Ų107103 Ų10365%0.64854%0.54SS*.Hα-helixtrans-56-34.2178.4177.80000111D70 I71 I72V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.06Å; V68-I71 PolarHBondContact O-N 3.01Å; V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.25Å; V68-I72 WeakPolarHBondContact O-CB 3.43Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 2.94Å; V68-I72 PolarHBondContact O-N 3.44Å
69S92.6Very high84.9Confident70 Ų70111.2 Ų111.249%0.4957%0.573SS.*Hα-helixtrans-58.5-40.817450.70000113.3A67 I72 T73A67-S69 WeakPolarHBondContact CB-OG 3.46Å; A67-S69 PolarHBondContact O-N 3.12Å; A67-S69 VanDerWaalsContact O-N 3.14Å; S69-I72 PolarHBondContact O-N 3.39Å; S69-T73 WeakPolarHBondContact O-CB 3.37Å; S69-T73 PolarHBondContact O-N 2.72Å; S69-T73 PolarHBondContact O-OG1 3.09Å
70D90.8Very high85.4Confident90 Ų90108.7 Ų108.748%0.48157%0.573SS.*Hα-helixtrans-72-41.3-177-55.6-24.1000110.1A67 V68 T73 T74A67-D70 PolarHBondContact N-OD2 3.15Å; A67-D70 WeakPolarHBondContact O-CB 3.46Å; A67-D70 PolarHBondContact O-N 3.31Å; V68-D70 VanDerWaalsContact C-N 3.34Å; V68-D70 PolarHBondContact O-N 3.06Å; D70-T73 PolarHBondContact O-N 3.23Å; D70-T74 PolarHBondContact O-N 3.39Å; D70-T74 PolarHBondContact O-OG1 2.89Å
71I89.4Confident86.1Confident80 Ų80106.2 Ų106.241%0.4157%0.567SS.*Hα-helixtrans-60-51.8173.9-61.7170.6000109.6P66 A67 V68 T73 T74 L75P66-I71 HydrophobicContact CB-CD1 4.27Å; P66-I71 HydrophobicContact CB-CG1 4.02Å; A67-I71 PolarHBondContact O-N 2.94Å; V68-I71 PolarHBondContact O-N 3.01Å; I71-T73 VanDerWaalsContact C-N 3.34Å; I71-T73 PolarHBondContact O-N 3.03Å; I71-T74 PolarHBondContact O-N 2.99Å; I71-L75 HydrophobicContact CG2-CD1 3.85Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 VanDerWaalsContact O-CG 3.29Å; I71-L75 WeakPolarHBondContact O-CG 3.42Å; I71-L75 PolarHBondContact O-N 2.89Å
72I90.7Very high87.1Confident80 Ų80108 Ų10841%0.4158%0.581SS.*Hα-helixtrans-60.7-42.6179.6-69.9170.3000111.4V68 S69 T74 L75 K76V68-I72 HydrophobicContact CG1-CD1 3.71Å; V68-I72 HydrophobicContact CG1-CG1 4.25Å; V68-I72 WeakPolarHBondContact O-CB 3.43Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 2.94Å; V68-I72 PolarHBondContact O-N 3.44Å; S69-I72 PolarHBondContact O-N 3.39Å; I72-T74 VanDerWaalsContact C-N 3.25Å; I72-T74 PolarHBondContact O-N 3.25Å; I72-L75 PolarHBondContact O-N 3.23Å; I72-K76 HydrophobicContact CG2-CD 4.48Å; I72-K76 HydrophobicContact CG2-CG 4.42Å; I72-K76 WeakPolarHBondContact O-CG 3.26Å; I72-K76 PolarHBondContact O-N 3.41Å
73T91.5Very high88.2Confident85 Ų85109.6 Ų109.652%0.52158%0.581SS.*Hα-helixtrans-62-37.1179.2-59.20000111.5S69 D70 I71S69-T73 WeakPolarHBondContact O-CB 3.37Å; S69-T73 PolarHBondContact O-N 2.72Å; S69-T73 PolarHBondContact O-OG1 3.09Å; D70-T73 PolarHBondContact O-N 3.23Å; I71-T73 VanDerWaalsContact C-N 3.34Å; I71-T73 PolarHBondContact O-N 3.03Å
74T87.3Confident88.9Confident99 Ų99113.3 Ų113.361%0.60760%0.604SS**Hα-helixtrans-69.8-43.1174.8-53.70000111.3D70 I71 I72 K76 K77D70-T74 PolarHBondContact O-N 3.39Å; D70-T74 PolarHBondContact O-OG1 2.89Å; I71-T74 PolarHBondContact O-N 2.99Å; I72-T74 VanDerWaalsContact C-N 3.25Å; I72-T74 PolarHBondContact O-N 3.25Å; T74-K76 PolarHBondContact O-N 2.72Å; T74-K77 PolarHBondContact O-N 3.44Å
75L89.2Confident89.4Confident84 Ų84113.5 Ų113.544%0.4461%0.605SS.*Hα-helixtrans-64.8-33.9179.5-70.3173.2000113.6I71 I72 K77 G78 L81I71-L75 HydrophobicContact CG2-CD1 3.85Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 VanDerWaalsContact O-CG 3.29Å; I71-L75 WeakPolarHBondContact O-CG 3.42Å; I71-L75 PolarHBondContact O-N 2.89Å; I72-L75 PolarHBondContact O-N 3.23Å; L75-K77 PolarHBondContact O-N 2.71Å; L75-G78 PolarHBondContact O-N 2.91Å; L75-L81 HydrophobicContact CD2-CD2 4.06Å
76K88.6Confident89.6Confident167 Ų167112.3 Ų112.373%0.72660%0.596SS**THydrogen-bonded Turntrans-56.5-18.7177.7-80.4178.5178.6-178.30114I72 T74 G78I72-K76 HydrophobicContact CG2-CD 4.48Å; I72-K76 HydrophobicContact CG2-CG 4.42Å; I72-K76 WeakPolarHBondContact O-CG 3.26Å; I72-K76 PolarHBondContact O-N 3.41Å; T74-K76 PolarHBondContact O-N 2.72Å; K76-G78 VanDerWaalsContact C-N 3.32Å
77K87.5Confident89.7Confident180 Ų180112.1 Ų112.178%0.78360%0.6SS**THydrogen-bonded Turntrans-76.9-17.9175.7-61.2-179.4-179.8179.10113T74 L75T74-K77 PolarHBondContact O-N 3.44Å; L75-K77 PolarHBondContact O-N 2.71Å
78G88.1Confident89.3Confident41 Ų41115.4 Ų115.442%0.42361%0.606SS.*  trans-85.6142.3179.300000112.7L75 K76L75-G78 PolarHBondContact O-N 2.91Å; K76-G78 VanDerWaalsContact C-N 3.32Å
79K89.8Confident89Confident215 Ų215111.7 Ų111.794%0.93559%0.585SS**SBendtrans-89.2-29.1173.8-65.8-176.4179.7-179.60113.1
80V91.8Very high88.6Confident128 Ų128109.5 Ų109.578%0.77657%0.566SS**SBendtrans-130.3130.7179.8-178.90000107.3
81L89.7Confident88.2Confident115 Ų115108.1 Ų108.160%0.60256%0.556SS**  trans-118.5135.2-179.8-59.5177.7000109L75L75-L81 HydrophobicContact CD2-CD2 4.06Å
82T91.8Very high88Confident120 Ų120109 Ų10974%0.73656%0.559SS**  trans-123.1137.4173.9-58.30000108.9L84T82-L84 HydrophobicContact CG2-CD2 4.36Å
83K91Very high87.7Confident190 Ų190106 Ų10683%0.82654%0.543SS*.  trans-102.7115.6175.7-175.3179.6178.8-177.40109.4
84L90.9Very high87.4Confident136 Ų136107.1 Ų107.171%0.71255%0.552SS**  trans-93.1134.7171.1-60.3177000109.3T82 F86T82-L84 HydrophobicContact CG2-CD2 4.36Å; L84-F86 HydrophobicContact CB-CE2 4.45Å
85H89.3Confident87.2Confident165 Ų165103.4 Ų103.476%0.76453%0.529SS*.  trans-119.7122.4175-176.366.6000109.5
86F86.4Confident87Confident97 Ų97104.2 Ų104.243%0.42553%0.534SS..  trans-97.3120.7175.2-61.6-80.9000109.1L84 P89 Y132L84-F86 HydrophobicContact CB-CE2 4.45Å; F86-P89 HydrophobicContact CB-CB 4.21Å; F86-P89 WeakPolarHBondContact O-CD 3.46Å; F86-Y132 AromaticContact CD2-CE1 3.97Å; F86-Y132 HydrophobicContact CD2-CE1 3.97Å; F86-Y132 AromaticContact CD2-CZ 3.85Å; F86-Y132 HydrophobicContact CE2-CD1 4.44Å; F86-Y132 AromaticContact CE2-CE1 3.87Å; F86-Y132 HydrophobicContact CE2-CE1 3.87Å; F86-Y132 HydrophobicContact CG-CE1 4.35Å; F86-Y132 HydrophobicContact CZ-CE1 4.15Å
87A85.2Confident86.7Confident59 Ų59102.7 Ų102.749%0.48853%0.53SS..SBendtrans-73.8135.2171.700000109.6
88H81.7Confident86.5Confident115 Ų11597.3 Ų97.353%0.53252%0.518SS..SBendtrans51.848.3176.7-46.492.3000115Y90 Q91H88-Y90 PolarHBondContact O-N 3.24Å; H88-Y90 VanDerWaalsContact O-N 3.1Å; H88-Q91 HydrophobicContact CB-CB 4.15Å; H88-Q91 HydrophobicContact CB-CG 4.2Å; H88-Q91 WeakPolarHBondContact O-CB 3.48Å; H88-Q91 PolarHBondContact O-N 2.8Å
89P85.5Confident86Confident29 Ų2996.8 Ų96.819%0.18851%0.506CS..G310 helixtrans-61.7-30.4-169.127.7-36.4000113.3F86 Q91 Q92 L128 Y132F86-P89 HydrophobicContact CB-CB 4.21Å; F86-P89 WeakPolarHBondContact O-CD 3.46Å; P89-Q91 VanDerWaalsContact C-N 3.33Å; P89-Q91 PolarHBondContact O-N 3.08Å; P89-Q92 WeakPolarHBondContact O-CB 3.46Å; P89-Q92 PolarHBondContact O-N 2.93Å; P89-L128 HydrophobicContact CB-CD1 3.96Å; P89-L128 HydrophobicContact CB-CD2 3.91Å; P89-L128 HydrophobicContact CG-CD2 3.99Å; P89-Y132 HydrophobicContact CB-CE2 4.42Å; P89-Y132 WeakPolarHBondContact CB-OH 3.03Å
90Y83.6Confident85.6Confident25 Ų2586.6 Ų86.610%0.09846%0.462CS..G310 helixtrans-67.9-31.7176-59.9-76.5000113H88 Q92 L93 T117 V119 C124 Y125 L128H88-Y90 PolarHBondContact O-N 3.24Å; H88-Y90 VanDerWaalsContact O-N 3.1Å; Y90-Q92 PolarHBondContact O-N 3.23Å; Y90-L93 PolarHBondContact O-N 3.21Å; Y90-T117 CarbonylContact C-O 3.58Å; Y90-T117 WeakPolarHBondContact CB-O 3.1Å; Y90-T117 HydrophobicContact CD1-CG2 4.21Å; Y90-T117 WeakPolarHBondContact O-CB 3.33Å; Y90-T117 PolarHBondContact O-N 2.49Å; Y90-V119 HydrophobicContact CD2-CG2 3.7Å; Y90-V119 HydrophobicContact CE2-CG2 4.34Å; Y90-V119 HydrophobicContact CG-CG2 4.2Å; Y90-C124 HydrophobicContact CD1-CB 3.99Å; Y90-C124 HydrophobicContact CE1-CB 3.83Å; Y90-Y125 WeakPolarHBondContact OH-CD1 3.31Å; Y90-Y125 WeakPolarHBondContact OH-CE1 3.31Å; Y90-L128 HydrophobicContact CD1-CB 4.44Å; Y90-L128 HydrophobicContact CD1-CD2 4.07Å; Y90-L128 HydrophobicContact CE1-CB 4.04Å; Y90-L128 HydrophobicContact CE1-CD2 3.61Å; Y90-L128 HydrophobicContact CE1-CG 4.4Å; Y90-L128 HydrophobicContact CE2-CD2 4.22Å
91Q84.1Confident84.9Confident60 Ų6085.8 Ų85.828%0.2845%0.448SS..G310 helixtrans-72.9-6.5175.9-63.7-179.4-11.100112.5V26 H88 P89 T116V26-Q91 HydrophobicContact CG1-CG 4.26Å; H88-Q91 HydrophobicContact CB-CB 4.15Å; H88-Q91 HydrophobicContact CB-CG 4.2Å; H88-Q91 WeakPolarHBondContact O-CB 3.48Å; H88-Q91 PolarHBondContact O-N 2.8Å; P89-Q91 VanDerWaalsContact C-N 3.33Å; P89-Q91 PolarHBondContact O-N 3.08Å; Q91-T116 WeakPolarHBondContact O-CB 3.46Å; Q91-T116 WeakPolarHBondContact O-CG2 3.26Å
92Q84.2Confident84.2Confident100 Ų10085 Ų8547%0.46744%0.444SS..G310 helixtrans-91.8-13.6175-57.4178.6-25.300112.2P89 Y90 P94P89-Q92 WeakPolarHBondContact O-CB 3.46Å; P89-Q92 PolarHBondContact O-N 2.93Å; Y90-Q92 PolarHBondContact O-N 3.23Å; Q92-P94 VanDerWaalsContact O-CD 3.3Å; Q92-P94 WeakPolarHBondContact O-CD 3.31Å
93L85.1Confident83.3Confident15 Ų1579.4 Ų79.48%0.07941%0.409CS..SBendtrans-90.2108.7-179.4-72.8169.6000110Y90 T116 T117 L128 M131Y90-L93 PolarHBondContact O-N 3.21Å; L93-T116 CarbonylContact O-C 3.18Å; L93-T116 WeakPolarHBondContact O-CA 3.42Å; L93-T116 WeakPolarHBondContact O-CB 3.14Å; L93-T117 WeakPolarHBondContact CB-OG1 3.37Å; L93-T117 HydrophobicContact CD1-CG2 4.45Å; L93-T117 PolarHBondContact O-N 2.96Å; L93-T117 PolarHBondContact O-OG1 3.31Å; L93-L128 HydrophobicContact CD1-CB 3.84Å; L93-L128 HydrophobicContact CD1-CD1 3.58Å; L93-L128 HydrophobicContact CD1-CG 4.33Å; L93-L128 HydrophobicContact CD2-CD1 4.5Å; L93-L128 HydrophobicContact CG-CD1 4Å; L93-M131 HydrophobicContact CD2-CB 3.78Å; L93-M131 HydrophobicContact CD2-CE 4.18Å; L93-M131 HydrophobicContact CD2-CG 3.95Å; L93-M131 HydrophobicContact CD2-SD 3.26Å; L93-M131 WeakPolarHBondContact CD2-SD 3.3Å; L93-M131 HydrophobicContact CG-SD 4.21Å
94P84.4Confident82.2Confident109 Ų10970.7 Ų70.771%0.70837%0.372SS*.BIsolated β-bridgetrans-61.9145.6172.427.7-33.9000110Q92Q92-P94 VanDerWaalsContact O-CD 3.3Å; Q92-P94 WeakPolarHBondContact O-CD 3.31Å
95V84.1Confident80.8Confident21 Ų2164.4 Ų64.413%0.12734%0.34CS..  trans-107.7148169.7-61.60000109.5L99 A114 Q115 T117V95-L99 HydrophobicContact CB-CB 4.17Å; V95-L99 HydrophobicContact CB-CD2 4Å; V95-L99 HydrophobicContact CB-CG 4.12Å; V95-L99 HydrophobicContact CG1-CD2 3.79Å; V95-L99 HydrophobicContact CG1-CG 4.16Å; V95-A114 WeakPolarHBondContact CG2-O 3.09Å; V95-Q115 WeakPolarHBondContact CG2-O 3.36Å; V95-Q115 PolarHBondContact N-O 3.23Å; V95-Q115 VanDerWaalsContact N-O 3.14Å; V95-T117 WeakPolarHBondContact CG1-OG1 3.43Å
96D84.7Confident79.2Confident101 Ų10157.5 Ų57.554%0.5431%0.309SS..  trans-68.3163.916864.654.4000110.9A98 L99 G100D96-A98 PolarHBondContact O-N 2.92Å; D96-A98 WeakPolarHBondContact OD1-CA 3.37Å; D96-A98 WeakPolarHBondContact OD1-CB 3.5Å; D96-A98 PolarHBondContact OD1-N 2.97Å; D96-L99 PolarHBondContact O-N 3.19Å; D96-L99 WeakPolarHBondContact OD1-CB 3.28Å; D96-L99 PolarHBondContact OD1-N 2.71Å; D96-G100 PolarHBondContact O-N 3.45Å
97E82.1Confident78.1Confident136 Ų13653.9 Ų53.964%0.63629%0.294SS*.Hα-helixtrans-59.7-34.2-177.5-169.8-171.3162.200112.8K101E97-K101 VanDerWaalsContact O-CG 3.31Å; E97-K101 WeakPolarHBondContact O-CG 3.25Å; E97-K101 PolarHBondContact O-N 2.7Å; E97-K101 VanDerWaalsContact O-N 3.12Å; E97-K101 WeakPolarHBondContact OE1-CE 2.82Å; E97-K101 IonicContact OE1-NZ 2.95Å; E97-K101 PolarHBondContact OE1-NZ 3.13Å
98A82.6Confident76.6Confident66 Ų6655.2 Ų55.255%0.54529%0.29SS..Hα-helixtrans-69.1-42.5179.800000110.9D96 L102D96-A98 PolarHBondContact O-N 2.92Å; D96-A98 WeakPolarHBondContact OD1-CA 3.37Å; D96-A98 WeakPolarHBondContact OD1-CB 3.5Å; D96-A98 PolarHBondContact OD1-N 2.97Å; A98-L102 WeakPolarHBondContact O-CG 3.43Å; A98-L102 PolarHBondContact O-N 3.01Å
99L78.6Confident75.3Confident31 Ų3160 Ų6016%0.16231%0.309CS..Hα-helixtrans-72.6-36.6177.7-174.660000111.7V95 D96 L102 Q103V95-L99 HydrophobicContact CB-CB 4.17Å; V95-L99 HydrophobicContact CB-CD2 4Å; V95-L99 HydrophobicContact CB-CG 4.12Å; V95-L99 HydrophobicContact CG1-CD2 3.79Å; V95-L99 HydrophobicContact CG1-CG 4.16Å; D96-L99 PolarHBondContact O-N 3.19Å; D96-L99 WeakPolarHBondContact OD1-CB 3.28Å; D96-L99 PolarHBondContact OD1-N 2.71Å; L99-L102 WeakPolarHBondContact O-CB 3.34Å; L99-L102 PolarHBondContact O-N 2.72Å; L99-Q103 HydrophobicContact CD1-CG 4.32Å; L99-Q103 HydrophobicContact CG-CG 4.47Å; L99-Q103 WeakPolarHBondContact O-CB 3.21Å; L99-Q103 WeakPolarHBondContact O-CG 3.5Å; L99-Q103 PolarHBondContact O-N 3.33Å
100G80.3Confident74Confident1 Ų162 Ų621%0.0132%0.321CS..Hα-helixtrans-54.5-53.717200000111D96 L102 Q103 T104 E113 A114D96-G100 PolarHBondContact O-N 3.45Å; G100-L102 VanDerWaalsContact C-N 3.27Å; G100-L102 PolarHBondContact O-N 3.34Å; G100-Q103 CarbonylContact O-C 3.58Å; G100-Q103 WeakPolarHBondContact O-CA 3.44Å; G100-Q103 PolarHBondContact O-N 2.89Å; G100-T104 PolarHBondContact O-N 3.5Å; G100-T104 VanDerWaalsContact O-N 3.15Å; G100-E113 VanDerWaalsContact C-CG 3.46Å; G100-E113 VanDerWaalsContact C-OE1 3.25Å; G100-E113 WeakPolarHBondContact CA-OE1 3.39Å; G100-E113 WeakPolarHBondContact O-CG 2.93Å; G100-A114 VanDerWaalsContact CA-O 3.31Å; G100-A114 WeakPolarHBondContact CA-O 3.33Å
101K77.9Confident73.1Confident111 Ų11160.8 Ų60.848%0.48332%0.316SS..Hα-helixtrans-55.4-40.2176.3-72.4173.1-175.1167.30112.7E97 Q103 T104 E113E97-K101 VanDerWaalsContact O-CG 3.31Å; E97-K101 WeakPolarHBondContact O-CG 3.25Å; E97-K101 PolarHBondContact O-N 2.7Å; E97-K101 VanDerWaalsContact O-N 3.12Å; E97-K101 WeakPolarHBondContact OE1-CE 2.82Å; E97-K101 IonicContact OE1-NZ 2.95Å; E97-K101 PolarHBondContact OE1-NZ 3.13Å; K101-Q103 VanDerWaalsContact C-N 3.31Å; K101-Q103 PolarHBondContact O-N 3.42Å; K101-T104 WeakPolarHBondContact O-CB 3.46Å; K101-T104 PolarHBondContact O-OG1 3.48Å; K101-E113 PolarHBondContact N-OE1 3.42Å; K101-E113 VanDerWaalsContact N-OE1 3.09Å
102L75.4Confident72.3Confident99 Ų9958.8 Ų58.852%0.51831%0.306SS..Hα-helixtrans-68.9-27.7175.9-68.8173.6000113.5V54 A98 L99 G100V54-L102 VanDerWaalsContact CG1-O 3.28Å; V54-L102 WeakPolarHBondContact CG1-O 3.06Å; A98-L102 WeakPolarHBondContact O-CG 3.43Å; A98-L102 PolarHBondContact O-N 3.01Å; L99-L102 WeakPolarHBondContact O-CB 3.34Å; L99-L102 PolarHBondContact O-N 2.72Å; G100-L102 VanDerWaalsContact C-N 3.27Å; G100-L102 PolarHBondContact O-N 3.34Å
103Q71.6Confident71.6Confident2 Ų255 Ų551%0.00929%0.289CS..THydrogen-bonded Turntrans-96.18.3-177.4-71.8-170.932.600114.6Y50 L99 G100 K101 A114 S118Y50-Q103 HydrophobicContact CE1-CB 4.25Å; Y50-Q103 HydrophobicContact CE1-CG 4.43Å; Y50-Q103 PolarHBondContact OH-O 3.39Å; L99-Q103 HydrophobicContact CD1-CG 4.32Å; L99-Q103 HydrophobicContact CG-CG 4.47Å; L99-Q103 WeakPolarHBondContact O-CB 3.21Å; L99-Q103 WeakPolarHBondContact O-CG 3.5Å; L99-Q103 PolarHBondContact O-N 3.33Å; G100-Q103 CarbonylContact O-C 3.58Å; G100-Q103 WeakPolarHBondContact O-CA 3.44Å; G100-Q103 PolarHBondContact O-N 2.89Å; K101-Q103 VanDerWaalsContact C-N 3.31Å; K101-Q103 PolarHBondContact O-N 3.42Å; Q103-A114 HydrophobicContact CB-CB 3.94Å; Q103-S118 PolarHBondContact OE1-OG 3.31Å
104T68Low71.1Confident7 Ų754.5 Ų54.54%0.04329%0.287CS..  trans-46.1158.1173.5-60.40000112.2V30 Y32 T33 G100 K101 A111 F112V30-T104 HydrophobicContact CB-CG2 4.49Å; V30-T104 HydrophobicContact CG2-CG2 3.06Å; Y32-T104 WeakPolarHBondContact O-CB 3.08Å; Y32-T104 WeakPolarHBondContact O-CG2 3.47Å; T33-T104 VanDerWaalsContact CB-C 3.43Å; T33-T104 WeakPolarHBondContact CB-O 2.98Å; T33-T104 WeakPolarHBondContact CG2-O 3.48Å; T33-T104 PolarHBondContact OG1-O 3.05Å; G100-T104 PolarHBondContact O-N 3.5Å; G100-T104 VanDerWaalsContact O-N 3.15Å; K101-T104 WeakPolarHBondContact O-CB 3.46Å; K101-T104 PolarHBondContact O-OG1 3.48Å; T104-A111 HydrophobicContact CG2-CB 4.19Å; T104-F112 CarbonylContact C-O 3.5Å; T104-F112 WeakPolarHBondContact CA-O 3.44Å
105A61.8Low70.6Confident4 Ų453 Ų533%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-139.1153.1-17800000109.2T33 I35 A111 F112T33-A105 CarbonylContact O-C 3.43Å; T33-A105 WeakPolarHBondContact O-CA 3.37Å; I35-A105 HydrophobicContact CG2-CB 3.51Å; A105-A111 CarbonylContact O-C 3.47Å; A105-A111 VanDerWaalsContact O-C 3.28Å; A105-A111 WeakPolarHBondContact O-CA 3.35Å; A105-A111 WeakPolarHBondContact O-CB 3.34Å; A105-F112 WeakPolarHBondContact CA-O 3.37Å; A105-F112 HydrophobicContact CB-CB 4.39Å; A105-F112 WeakPolarHBondContact CB-O 3.48Å; A105-F112 PolarHBondContact N-O 3.32Å; A105-F112 PolarHBondContact O-N 3.14Å
106T56.6Low70.3Confident20 Ų2053.1 Ų53.112%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-145.3128.5-170.8-63.30000107.9Y32 T33 I35 T110 A111Y32-T106 WeakPolarHBondContact CA-OG1 3.39Å; T33-T106 PolarHBondContact N-OG1 2.67Å; T33-T106 WeakPolarHBondContact O-CA 3.47Å; T33-T106 WeakPolarHBondContact O-CB 3.41Å; T33-T106 PolarHBondContact O-N 2.81Å; I35-T106 WeakPolarHBondContact CG1-O 3.41Å; I35-T106 PolarHBondContact N-O 3.15Å; T106-T110 CarbonylContact C-O 3.12Å; T106-T110 VanDerWaalsContact CA-O 3.31Å; T106-T110 WeakPolarHBondContact CA-O 3.19Å; T106-A111 HydrophobicContact CG2-CB 4.37Å; T106-A111 VanDerWaalsContact OG1-CB 3.31Å; T106-A111 WeakPolarHBondContact OG1-CB 3.44Å
107M61.7Low69.7Low21 Ų2148.7 Ų48.710%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-135130.5170.3-173.4-166.568.500109.4F6 I14 L18 I35 K109 T110F6-M107 HydrophobicContact CE1-CG 3.91Å; F6-M107 HydrophobicContact CE1-SD 4.45Å; F6-M107 HydrophobicContact CZ-CG 3.93Å; F6-M107 HydrophobicContact CZ-SD 3.95Å; I14-M107 HydrophobicContact CB-SD 4.29Å; I14-M107 HydrophobicContact CG2-CG 4.46Å; I14-M107 HydrophobicContact CG2-SD 3.19Å; I14-M107 WeakPolarHBondContact CG2-SD 3.49Å; L18-M107 HydrophobicContact CD1-CB 4.11Å; L18-M107 HydrophobicContact CD1-CE 3.36Å; L18-M107 HydrophobicContact CD1-CG 4.37Å; L18-M107 HydrophobicContact CD1-SD 3.38Å; L18-M107 WeakPolarHBondContact CD1-SD 3.11Å; I35-M107 HydrophobicContact CD1-CB 3.6Å; I35-M107 HydrophobicContact CD1-CG 3.69Å; I35-M107 HydrophobicContact CD1-SD 4.01Å; I35-M107 HydrophobicContact CG1-CB 3.91Å; I35-M107 HydrophobicContact CG1-CG 4.26Å; M107-K109 PolarHBondContact O-N 2.97Å; M107-T110 CarbonylContact C-O 3.38Å; M107-T110 PolarHBondContact N-O 3.48Å; M107-T110 CarbonylContact O-C 2.92Å; M107-T110 PolarHBondContact O-N 2.9Å
108H54.7Low69.2Low87 Ų8743.1 Ų43.140%0.40322%0.224SC..THydrogen-bonded Turntrans42.961.3170.8-75.9-64.3000115F6 T110F6-H108 AromaticContact CE1-CD2 3.72Å; F6-H108 AromaticContact CE1-NE2 3.54Å; F6-H108 AromaticContact CE2-NE2 3.76Å; F6-H108 AromaticContact CZ-CD2 3.27Å; F6-H108 WeakPolarHBondContact CZ-CD2 3.47Å; F6-H108 AromaticContact CZ-NE2 3.11Å; F6-H108 WeakPolarHBondContact CZ-NE2 3.19Å; H108-T110 PolarHBondContact O-N 3.21Å
109K54.7Low68.6Low216 Ų21643 Ų4394%0.93922%0.216SC*.THydrogen-bonded Turntrans62.8-0.8-178.8-57-175.7177.6-176.90116.1M107M107-K109 PolarHBondContact O-N 2.97Å
110T57.5Low68.1Low69 Ų6947.5 Ų47.542%0.42323%0.231SC..EExtended strand (participates in β ladder)trans-107.7136.5172.8-46.90000108.9T106 M107 H108 F112T106-T110 CarbonylContact C-O 3.12Å; T106-T110 VanDerWaalsContact CA-O 3.31Å; T106-T110 WeakPolarHBondContact CA-O 3.19Å; M107-T110 CarbonylContact C-O 3.38Å; M107-T110 PolarHBondContact N-O 3.48Å; M107-T110 CarbonylContact O-C 2.92Å; M107-T110 PolarHBondContact O-N 2.9Å; H108-T110 PolarHBondContact O-N 3.21Å; T110-F112 HydrophobicContact CG2-CE1 4.49Å; T110-F112 HydrophobicContact CG2-CE2 4.01Å; T110-F112 HydrophobicContact CG2-CZ 3.85Å
111A64.4Low67.7Low1 Ų147.7 Ų47.71%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-118.2170.9172.200000112.1P29 V30 E31 T104 A105 T106P29-A111 CarbonylContact C-O 3.28Å; P29-A111 WeakPolarHBondContact CA-O 3.33Å; V30-A111 HydrophobicContact CG2-CB 4.28Å; V30-A111 PolarHBondContact N-O 3.26Å; V30-A111 CarbonylContact O-C 3.29Å; V30-A111 WeakPolarHBondContact O-CA 3.38Å; V30-A111 WeakPolarHBondContact O-CB 3.27Å; V30-A111 PolarHBondContact O-N 2.91Å; V30-A111 VanDerWaalsContact O-O 3.12Å; E31-A111 VanDerWaalsContact CA-CB 3.49Å; E31-A111 WeakPolarHBondContact O-CB 3.38Å; T104-A111 HydrophobicContact CG2-CB 4.19Å; A105-A111 CarbonylContact O-C 3.47Å; A105-A111 VanDerWaalsContact O-C 3.28Å; A105-A111 WeakPolarHBondContact O-CA 3.35Å; A105-A111 WeakPolarHBondContact O-CB 3.34Å; T106-A111 HydrophobicContact CG2-CB 4.37Å; T106-A111 VanDerWaalsContact OG1-CB 3.31Å; T106-A111 WeakPolarHBondContact OG1-CB 3.44Å
112F66.9Low67.4Low17 Ų1748.3 Ų48.38%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-152.8112.2-164.6-64.1-78.8000109.8L18 V22 L27 V28 P29 T104 A105 T110L18-F112 HydrophobicContact CB-CZ 4.49Å; L18-F112 HydrophobicContact CD1-CE2 3.88Å; L18-F112 HydrophobicContact CD1-CZ 4.33Å; L18-F112 HydrophobicContact CD2-CD2 4.01Å; L18-F112 HydrophobicContact CD2-CE2 4.05Å; L18-F112 HydrophobicContact CD2-CG 4.46Å; L18-F112 HydrophobicContact CG-CE2 4.44Å; V22-F112 HydrophobicContact CG2-CD1 3.81Å; V22-F112 HydrophobicContact CG2-CE1 3.68Å; L27-F112 HydrophobicContact CB-CB 4.15Å; L27-F112 HydrophobicContact CB-CD1 4.39Å; L27-F112 HydrophobicContact CD1-CB 4.13Å; L27-F112 HydrophobicContact CD1-CG 4.45Å; L27-F112 HydrophobicContact CD2-CB 4.28Å; L27-F112 HydrophobicContact CG-CB 4.42Å; V28-F112 CarbonylContact O-C 3.52Å; V28-F112 VanDerWaalsContact O-C 3.29Å; V28-F112 WeakPolarHBondContact O-CA 3.38Å; P29-F112 HydrophobicContact CB-CD1 4.44Å; P29-F112 HydrophobicContact CG-CD1 4.22Å; P29-F112 HydrophobicContact CG-CE1 4.13Å; T104-F112 CarbonylContact C-O 3.5Å; T104-F112 WeakPolarHBondContact CA-O 3.44Å; A105-F112 WeakPolarHBondContact CA-O 3.37Å; A105-F112 HydrophobicContact CB-CB 4.39Å; A105-F112 WeakPolarHBondContact CB-O 3.48Å; A105-F112 PolarHBondContact N-O 3.32Å; A105-F112 PolarHBondContact O-N 3.14Å; T110-F112 HydrophobicContact CG2-CE1 4.49Å; T110-F112 HydrophobicContact CG2-CE2 4.01Å; T110-F112 HydrophobicContact CG2-CZ 3.85Å
113E70.5Confident67.5Low22 Ų2243.9 Ų43.910%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-77.6134.8173-177.6165.8173.300110.2L27 V28 V30 G100 K101L27-E113 CarbonylContact C-O 3.39Å; L27-E113 VanDerWaalsContact CA-O 3.27Å; L27-E113 WeakPolarHBondContact CA-O 3.35Å; V28-E113 HydrophobicContact CB-CB 4.47Å; V28-E113 PolarHBondContact N-O 2.97Å; V28-E113 PolarHBondContact O-N 3.46Å; V30-E113 HydrophobicContact CB-CB 4.23Å; V30-E113 HydrophobicContact CG1-CB 3.49Å; V30-E113 VanDerWaalsContact CG1-CB 3.49Å; V30-E113 HydrophobicContact CG1-CG 4.49Å; V30-E113 WeakPolarHBondContact CG1-OE2 3.46Å; V30-E113 HydrophobicContact CG2-CB 3.68Å; V30-E113 VanDerWaalsContact CG2-N 3.31Å; G100-E113 VanDerWaalsContact C-CG 3.46Å; G100-E113 VanDerWaalsContact C-OE1 3.25Å; G100-E113 WeakPolarHBondContact CA-OE1 3.39Å; G100-E113 WeakPolarHBondContact O-CG 2.93Å; K101-E113 PolarHBondContact N-OE1 3.42Å; K101-E113 VanDerWaalsContact N-OE1 3.09Å
114A74.1Confident67.8Low4 Ų443.9 Ų43.93%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-81.3128175.400000110L27 V95 G100 Q103 T116L27-A114 HydrophobicContact CD2-CB 4.3Å; V95-A114 WeakPolarHBondContact CG2-O 3.09Å; G100-A114 VanDerWaalsContact CA-O 3.31Å; G100-A114 WeakPolarHBondContact CA-O 3.33Å; Q103-A114 HydrophobicContact CB-CB 3.94Å; A114-T116 WeakPolarHBondContact CB-O 3.4Å
115Q75.1Confident68.4Low77 Ų7750.2 Ų50.236%0.3623%0.232SC..SBendtrans-89.7-15.4172.4-65.2-62.2-47.100112.3S25 V26 V28 V95S25-Q115 VanDerWaalsContact O-CB 3.26Å; S25-Q115 WeakPolarHBondContact O-CB 3.29Å; S25-Q115 WeakPolarHBondContact O-CG 3.34Å; V26-Q115 PolarHBondContact O-N 2.67Å; V28-Q115 HydrophobicContact CB-CG 4.48Å; V28-Q115 HydrophobicContact CG2-CG 3.54Å; V95-Q115 WeakPolarHBondContact CG2-O 3.36Å; V95-Q115 PolarHBondContact N-O 3.23Å; V95-Q115 VanDerWaalsContact N-O 3.14Å
116T76.1Confident69.3Low23 Ų2354.4 Ų54.414%0.14125%0.247CC..BIsolated β-bridgetrans-129.8160.3179.259.20000109.6Q91 L93 A114 S118Q91-T116 WeakPolarHBondContact O-CB 3.46Å; Q91-T116 WeakPolarHBondContact O-CG2 3.26Å; L93-T116 CarbonylContact O-C 3.18Å; L93-T116 WeakPolarHBondContact O-CA 3.42Å; L93-T116 WeakPolarHBondContact O-CB 3.14Å; A114-T116 WeakPolarHBondContact CB-O 3.4Å; T116-S118 PolarHBondContact O-N 2.9Å
117T73.5Confident70.6Confident9 Ų956.8 Ų56.86%0.05526%0.257CS..PPolyproline II helixtrans-62.3128.1-174.6-62.70000109.9Y90 L93 V95 C124Y90-T117 CarbonylContact C-O 3.58Å; Y90-T117 WeakPolarHBondContact CB-O 3.1Å; Y90-T117 HydrophobicContact CD1-CG2 4.21Å; Y90-T117 WeakPolarHBondContact O-CB 3.33Å; Y90-T117 PolarHBondContact O-N 2.49Å; L93-T117 WeakPolarHBondContact CB-OG1 3.37Å; L93-T117 HydrophobicContact CD1-CG2 4.45Å; L93-T117 PolarHBondContact O-N 2.96Å; L93-T117 PolarHBondContact O-OG1 3.31Å; V95-T117 WeakPolarHBondContact CG1-OG1 3.43Å; T117-C124 HydrophobicContact CG2-CB 3.76Å
118S71.1Confident71.6Confident18 Ų1856.6 Ų56.613%0.12626%0.256CS..PPolyproline II helixtrans-86.5152.1175.459.40000112.2Y50 Q103 T116Y50-S118 VanDerWaalsContact CE2-CB 3.48Å; Y50-S118 WeakPolarHBondContact CE2-OG 2.94Å; Y50-S118 WeakPolarHBondContact OH-CB 3.49Å; Y50-S118 PolarHBondContact OH-OG 3.07Å; Q103-S118 PolarHBondContact OE1-OG 3.31Å; T116-S118 PolarHBondContact O-N 2.9Å
119V69.5Low73.1Confident64 Ų6454.1 Ų54.139%0.38825%0.249SC..THydrogen-bonded Turntrans-71.1144.3173.5-167.90000109.2Y50 Y90Y50-V119 WeakPolarHBondContact CE2-O 3.48Å; Y90-V119 HydrophobicContact CD2-CG2 3.7Å; Y90-V119 HydrophobicContact CE2-CG2 4.34Å; Y90-V119 HydrophobicContact CG-CG2 4.2Å
120R68.3Low74.5Confident126 Ų12648.1 Ų48.148%0.47522%0.223SC..THydrogen-bonded Turntrans87.46.6171.9-48.2-178.4177.5-160-3.1117.2Y50 N55Y50-R120 HydrophobicContact CD2-CB 4.37Å; N55-R120 PolarHBondContact ND2-O 3.09Å
121H71.9Confident75.8Confident5 Ų547.4 Ų47.42%0.02322%0.215CC..  trans-74137.9160.8-178.3-94.9000110.1V54 N55 L58 S123 C124V54-H121 WeakPolarHBondContact CG2-CD2 3.07Å; V54-H121 VanDerWaalsContact CG2-NE2 3.28Å; V54-H121 WeakPolarHBondContact CG2-NE2 3.47Å; N55-H121 WeakPolarHBondContact OD1-CA 3.36Å; L58-H121 WeakPolarHBondContact CD1-CD2 3.32Å; L58-H121 WeakPolarHBondContact CD1-CE1 3.39Å; L58-H121 WeakPolarHBondContact CD1-NE2 3.35Å; L58-H121 VanDerWaalsContact CD2-CE1 3.48Å; L58-H121 WeakPolarHBondContact CD2-CE1 2.89Å; L58-H121 WeakPolarHBondContact CD2-NE2 3.28Å; L58-H121 WeakPolarHBondContact CG-NE2 3.36Å; H121-S123 PolarHBondContact CE1-OG 3.47Å; H121-S123 PolarHBondContact ND1-N 3.36Å; H121-S123 PolarHBondContact ND1-OG 2.97Å; H121-S123 PolarHBondContact O-N 2.92Å; H121-S123 VanDerWaalsContact O-N 3.09Å; H121-C124 HydrophobicContact CB-CB 4.34Å; H121-C124 PolarHBondContact O-N 3.2Å; H121-C124 VanDerWaalsContact O-N 3.09Å; H121-C124 PolarHBondContact O-SG 2.88Å
122R71.6Confident76.8Confident123 Ų12349.5 Ų49.546%0.46422%0.223SC..THydrogen-bonded Turntrans-56.1-33.9-172.2-64.2-170.5-140.6-124.712.3114.2N55 L58N55-R122 HydrophobicContact CB-CG 4.18Å; N55-R122 PolarHBondContact O-NE 3.39Å; N55-R122 PolarHBondContact O-NH2 2.98Å; N55-R122 PolarHBondContact OD1-N 3.44Å; N55-R122 VanDerWaalsContact OD1-N 3.07Å; L58-R122 HydrophobicContact CD1-CB 3.96Å; L58-R122 HydrophobicContact CD1-CG 4.2Å
123S77.5Confident77.7Confident7 Ų751.2 Ų51.25%0.04923%0.232CC..THydrogen-bonded Turntrans-93.70.6-177.373.50000114.7D61 H121 Y125 W126 H127D61-S123 WeakPolarHBondContact OD2-CB 3.34Å; H121-S123 PolarHBondContact CE1-OG 3.47Å; H121-S123 PolarHBondContact ND1-N 3.36Å; H121-S123 PolarHBondContact ND1-OG 2.97Å; H121-S123 PolarHBondContact O-N 2.92Å; H121-S123 VanDerWaalsContact O-N 3.09Å; S123-Y125 VanDerWaalsContact C-N 3.32Å; S123-Y125 PolarHBondContact O-N 2.89Å; S123-W126 WeakPolarHBondContact O-CB 3.47Å; S123-W126 PolarHBondContact O-N 3.48Å; S123-W126 VanDerWaalsContact O-N 3.13Å; S123-H127 PolarHBondContact O-N 3.15Å; S123-H127 PolarHBondContact O-ND1 3.29Å; S123-H127 VanDerWaalsContact O-ND1 3.07Å; S123-H127 PolarHBondContact OG-CE1 2.99Å; S123-H127 VanDerWaalsContact OG-CE1 3.23Å; S123-H127 PolarHBondContact OG-ND1 3.43Å
124C78.3Confident78.4Confident1 Ų155.9 Ų55.91%0.00725%0.253CS..Hα-helixtrans-61.9-39-173.667.70000112.7Y90 T117 H121 W126 H127 L128Y90-C124 HydrophobicContact CD1-CB 3.99Å; Y90-C124 HydrophobicContact CE1-CB 3.83Å; T117-C124 HydrophobicContact CG2-CB 3.76Å; H121-C124 HydrophobicContact CB-CB 4.34Å; H121-C124 PolarHBondContact O-N 3.2Å; H121-C124 VanDerWaalsContact O-N 3.09Å; H121-C124 PolarHBondContact O-SG 2.88Å; C124-W126 VanDerWaalsContact C-N 3.31Å; C124-W126 PolarHBondContact O-N 3.28Å; C124-H127 PolarHBondContact O-N 2.93Å; C124-L128 WeakPolarHBondContact O-CB 3.48Å; C124-L128 PolarHBondContact O-N 3.33Å
125Y81Confident79Confident140 Ų14059 Ų5955%0.54928%0.275SS..Hα-helixtrans-63.1-37.6177.3-72.5-86.2000112.3Y90 S123 S129Y90-Y125 WeakPolarHBondContact OH-CD1 3.31Å; Y90-Y125 WeakPolarHBondContact OH-CE1 3.31Å; S123-Y125 VanDerWaalsContact C-N 3.32Å; S123-Y125 PolarHBondContact O-N 2.89Å; Y125-S129 VanDerWaalsContact O-CB 3.31Å; Y125-S129 WeakPolarHBondContact O-CB 2.82Å; Y125-S129 PolarHBondContact O-N 3.49Å
126W81.4Confident79.4Confident92 Ų9262 Ų6235%0.34829%0.292SS..Hα-helixtrans-65.6-50.5179.2170.560.4000111.3Y63 S123 C124 L128 S129 K130Y63-W126 AromaticContact CD2-CD1 3.29Å; Y63-W126 HydrophobicContact CD2-CG 4.4Å; Y63-W126 AromaticContact CD2-NE1 3.81Å; Y63-W126 AromaticContact CE2-CD1 3.82Å; Y63-W126 HydrophobicContact CG-CB 4.33Å; Y63-W126 AromaticContact CG-CD1 3.46Å; Y63-W126 VanDerWaalsContact CG-CD1 3.46Å; Y63-W126 HydrophobicContact CG-CG 4.22Å; S123-W126 WeakPolarHBondContact O-CB 3.47Å; S123-W126 PolarHBondContact O-N 3.48Å; S123-W126 VanDerWaalsContact O-N 3.13Å; C124-W126 VanDerWaalsContact C-N 3.31Å; C124-W126 PolarHBondContact O-N 3.28Å; W126-L128 VanDerWaalsContact C-N 3.3Å; W126-L128 PolarHBondContact O-N 2.99Å; W126-S129 PolarHBondContact O-N 2.74Å; W126-K130 HydrophobicContact CZ2-CG 4.41Å; W126-K130 WeakPolarHBondContact O-CB 3.31Å; W126-K130 WeakPolarHBondContact O-CG 3.03Å; W126-K130 PolarHBondContact O-N 2.95Å
127H82.4Confident79.7Confident71 Ų7170.7 Ų70.733%0.32932%0.322SS..Hα-helixtrans-59.2-42.4177.5-66.1117.7000111.9S123 C124 K130 M131S123-H127 PolarHBondContact O-N 3.15Å; S123-H127 PolarHBondContact O-ND1 3.29Å; S123-H127 VanDerWaalsContact O-ND1 3.07Å; S123-H127 PolarHBondContact OG-CE1 2.99Å; S123-H127 VanDerWaalsContact OG-CE1 3.23Å; S123-H127 PolarHBondContact OG-ND1 3.43Å; C124-H127 PolarHBondContact O-N 2.93Å; H127-K130 PolarHBondContact O-N 3.22Å; H127-M131 PolarHBondContact O-N 2.88Å
128L84.1Confident79.4Confident16 Ų1677.9 Ų77.98%0.08436%0.36CS..Hα-helixtrans-64.6-45.5177.6-171.966.7000112.1P89 Y90 L93 C124 W126 K130 M131 Y132P89-L128 HydrophobicContact CB-CD1 3.96Å; P89-L128 HydrophobicContact CB-CD2 3.91Å; P89-L128 HydrophobicContact CG-CD2 3.99Å; Y90-L128 HydrophobicContact CD1-CB 4.44Å; Y90-L128 HydrophobicContact CD1-CD2 4.07Å; Y90-L128 HydrophobicContact CE1-CB 4.04Å; Y90-L128 HydrophobicContact CE1-CD2 3.61Å; Y90-L128 HydrophobicContact CE1-CG 4.4Å; Y90-L128 HydrophobicContact CE2-CD2 4.22Å; L93-L128 HydrophobicContact CD1-CB 3.84Å; L93-L128 HydrophobicContact CD1-CD1 3.58Å; L93-L128 HydrophobicContact CD1-CG 4.33Å; L93-L128 HydrophobicContact CD2-CD1 4.5Å; L93-L128 HydrophobicContact CG-CD1 4Å; C124-L128 WeakPolarHBondContact O-CB 3.48Å; C124-L128 PolarHBondContact O-N 3.33Å; W126-L128 VanDerWaalsContact C-N 3.3Å; W126-L128 PolarHBondContact O-N 2.99Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-K130 PolarHBondContact O-N 2.75Å; L128-M131 HydrophobicContact CD1-CE 4.12Å; L128-M131 PolarHBondContact O-N 3.27Å; L128-Y132 HydrophobicContact CD1-CD2 4Å; L128-Y132 HydrophobicContact CD1-CE2 3.35Å; L128-Y132 HydrophobicContact CD2-CE2 4.02Å; L128-Y132 HydrophobicContact CG-CD2 3.85Å; L128-Y132 HydrophobicContact CG-CE2 3.47Å; L128-Y132 VanDerWaalsContact CG-CE2 3.47Å; L128-Y132 WeakPolarHBondContact O-CD2 3.42Å; L128-Y132 PolarHBondContact O-N 3.05Å; L128-Y132 VanDerWaalsContact O-N 3.09Å
129S85Confident79.9Confident36 Ų3680.9 Ų80.925%0.25237%0.372SS..Hα-helixtrans-59.8-44.5175.8-164.90000111.1Y63 Y125 W126 Y132 E133Y63-S129 PolarHBondContact OH-OG 3.22Å; Y125-S129 VanDerWaalsContact O-CB 3.31Å; Y125-S129 WeakPolarHBondContact O-CB 2.82Å; Y125-S129 PolarHBondContact O-N 3.49Å; W126-S129 PolarHBondContact O-N 2.74Å; S129-Y132 PolarHBondContact O-N 3.24Å; S129-E133 WeakPolarHBondContact O-CB 3.31Å; S129-E133 VanDerWaalsContact O-CG 3.3Å; S129-E133 WeakPolarHBondContact O-CG 3.26Å; S129-E133 PolarHBondContact O-N 2.79Å
130K84.7Confident80.4Confident90 Ų9081.7 Ų81.739%0.39137%0.371SS..Hα-helixtrans-64.4-41.9178.9-77.4-72.3165.3-148.70113.2W126 H127 L128 E133 H134W126-K130 HydrophobicContact CZ2-CG 4.41Å; W126-K130 WeakPolarHBondContact O-CB 3.31Å; W126-K130 WeakPolarHBondContact O-CG 3.03Å; W126-K130 PolarHBondContact O-N 2.95Å; H127-K130 PolarHBondContact O-N 3.22Å; L128-K130 VanDerWaalsContact C-N 3.33Å; L128-K130 PolarHBondContact O-N 2.75Å; K130-E133 IonicContact NZ-OE2 2.81Å; K130-E133 PolarHBondContact NZ-OE2 3.27Å; K130-H134 WeakPolarHBondContact O-CB 3.02Å; K130-H134 PolarHBondContact O-N 3.12Å
131M84.9Confident81.1Confident53 Ų5379.3 Ų79.326%0.26137%0.365SS..Hα-helixtrans-59.6-51.5174.9-175.6-16068.700110.3L93 H127 L128 E133 H134 S135L93-M131 HydrophobicContact CD2-CB 3.78Å; L93-M131 HydrophobicContact CD2-CE 4.18Å; L93-M131 HydrophobicContact CD2-CG 3.95Å; L93-M131 HydrophobicContact CD2-SD 3.26Å; L93-M131 WeakPolarHBondContact CD2-SD 3.3Å; L93-M131 HydrophobicContact CG-SD 4.21Å; H127-M131 PolarHBondContact O-N 2.88Å; L128-M131 HydrophobicContact CD1-CE 4.12Å; L128-M131 PolarHBondContact O-N 3.27Å; M131-E133 PolarHBondContact O-N 3.24Å; M131-H134 PolarHBondContact O-N 2.82Å; M131-S135 WeakPolarHBondContact O-CB 3.09Å; M131-S135 PolarHBondContact O-N 2.92Å; M131-S135 PolarHBondContact O-OG 2.77Å
132Y86.1Confident81.6Confident46 Ų4683.6 Ų83.618%0.1839%0.385CS..Hα-helixtrans-65.6-40.8-179.7-71.1-53.2000112.9F86 P89 L128 S129 H134 S135 I136F86-Y132 AromaticContact CD2-CE1 3.97Å; F86-Y132 HydrophobicContact CD2-CE1 3.97Å; F86-Y132 AromaticContact CD2-CZ 3.85Å; F86-Y132 HydrophobicContact CE2-CD1 4.44Å; F86-Y132 AromaticContact CE2-CE1 3.87Å; F86-Y132 HydrophobicContact CE2-CE1 3.87Å; F86-Y132 HydrophobicContact CG-CE1 4.35Å; F86-Y132 HydrophobicContact CZ-CE1 4.15Å; P89-Y132 HydrophobicContact CB-CE2 4.42Å; P89-Y132 WeakPolarHBondContact CB-OH 3.03Å; L128-Y132 HydrophobicContact CD1-CD2 4Å; L128-Y132 HydrophobicContact CD1-CE2 3.35Å; L128-Y132 HydrophobicContact CD2-CE2 4.02Å; L128-Y132 HydrophobicContact CG-CD2 3.85Å; L128-Y132 HydrophobicContact CG-CE2 3.47Å; L128-Y132 VanDerWaalsContact CG-CE2 3.47Å; L128-Y132 WeakPolarHBondContact O-CD2 3.42Å; L128-Y132 PolarHBondContact O-N 3.05Å; L128-Y132 VanDerWaalsContact O-N 3.09Å; S129-Y132 PolarHBondContact O-N 3.24Å; Y132-H134 PolarHBondContact O-N 2.64Å; Y132-S135 PolarHBondContact O-N 2.71Å; Y132-I136 WeakPolarHBondContact O-CB 3.17Å; Y132-I136 WeakPolarHBondContact O-CD1 3.35Å; Y132-I136 WeakPolarHBondContact O-CG1 3.44Å; Y132-I136 PolarHBondContact O-N 3.03Å
133E85.5Confident82.3Confident52 Ų5281.2 Ų81.224%0.24338%0.38CS..Hα-helixtrans-55.8-41.9172.8-79.6174.6-17100111.2Y63 S129 K130 M131 R137Y63-E133 PolarHBondContact OH-OE1 3.41Å; S129-E133 WeakPolarHBondContact O-CB 3.31Å; S129-E133 VanDerWaalsContact O-CG 3.3Å; S129-E133 WeakPolarHBondContact O-CG 3.26Å; S129-E133 PolarHBondContact O-N 2.79Å; K130-E133 IonicContact NZ-OE2 2.81Å; K130-E133 PolarHBondContact NZ-OE2 3.27Å; M131-E133 PolarHBondContact O-N 3.24Å; E133-R137 WeakPolarHBondContact O-CB 3.48Å; E133-R137 WeakPolarHBondContact O-CD 3.38Å; E133-R137 WeakPolarHBondContact O-CG 3.27Å; E133-R137 PolarHBondContact O-N 3.09Å
134H85.4Confident82.6Confident120 Ų12086.1 Ų86.156%0.55640%0.402SS*.Hα-helixtrans-71.5-46.5179-171.877.9000112.1K130 M131 Y132 I136 R137 N138K130-H134 WeakPolarHBondContact O-CB 3.02Å; K130-H134 PolarHBondContact O-N 3.12Å; M131-H134 PolarHBondContact O-N 2.82Å; Y132-H134 PolarHBondContact O-N 2.64Å; H134-I136 VanDerWaalsContact C-N 3.3Å; H134-I136 PolarHBondContact O-N 2.64Å; H134-R137 PolarHBondContact O-N 3.03Å; H134-N138 PolarHBondContact CD2-ND2 3.03Å; H134-N138 PolarHBondContact CE1-ND2 2.78Å; H134-N138 PolarHBondContact ND1-ND2 2.6Å; H134-N138 PolarHBondContact NE2-ND2 3.28Å; H134-N138 PolarHBondContact O-N 3.35Å; H134-N138 VanDerWaalsContact O-N 3.16Å; H134-N138 PolarHBondContact O-ND2 2.8Å
135S85.8Confident82.9Confident71 Ų7192.2 Ų92.250%0.49743%0.431SS..Hα-helixtrans-68.8-22.8-180-61.70000114.4M131 Y132M131-S135 WeakPolarHBondContact O-CB 3.09Å; M131-S135 PolarHBondContact O-N 2.92Å; M131-S135 PolarHBondContact O-OG 2.77Å; Y132-S135 PolarHBondContact O-N 2.71Å
136I84Confident83Confident139 Ų13988.5 Ų88.571%0.71342%0.422SS*.Hα-helixtrans-86.6-25.3175.4-66.8167.4000111.2Y132 H134Y132-I136 WeakPolarHBondContact O-CB 3.17Å; Y132-I136 WeakPolarHBondContact O-CD1 3.35Å; Y132-I136 WeakPolarHBondContact O-CG1 3.44Å; Y132-I136 PolarHBondContact O-N 3.03Å; H134-I136 VanDerWaalsContact C-N 3.3Å; H134-I136 PolarHBondContact O-N 2.64Å
137R81.4Confident83.1Confident206 Ų20688.3 Ų88.378%0.77743%0.428SS*.Hα-helixtrans-87.8-21.8-178.1-75177.9-177.2-164.32.6113.9E133 H134E133-R137 WeakPolarHBondContact O-CB 3.48Å; E133-R137 WeakPolarHBondContact O-CD 3.38Å; E133-R137 WeakPolarHBondContact O-CG 3.27Å; E133-R137 PolarHBondContact O-N 3.09Å; H134-R137 PolarHBondContact O-N 3.03Å
138N68.6Low83.2Confident159 Ų15989.8 Ų89.885%0.8544%0.437SS*.  trans-104.40174.3-59.5-38.9000110.4H134H134-N138 PolarHBondContact CD2-ND2 3.03Å; H134-N138 PolarHBondContact CE1-ND2 2.78Å; H134-N138 PolarHBondContact ND1-ND2 2.6Å; H134-N138 PolarHBondContact NE2-ND2 3.28Å; H134-N138 PolarHBondContact O-N 3.35Å; H134-N138 VanDerWaalsContact O-N 3.16Å; H134-N138 PolarHBondContact O-ND2 2.8Å

Retrieved 138 of 138 residues in 121.5 ms (Link to these results)

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