A0A077ZIE7_TRITR Loading...

Cytidine deaminase

This enzyme scavenges exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis.

AlphaFold DB , UniProt , Accession A0A077ZIE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 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
1M82.3Confident96.1Very high139 Ų13963.7 Ų63.769%0.68532%0.323SS*.  01440-73.2174.4176.700108.8E5 W6 I9 T37M1-E5 VanDerWaalsContact C-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CB-CB 4.32Å; M1-E5 VanDerWaalsContact CB-OE2 3.26Å; M1-E5 WeakPolarHBondContact CB-OE2 3.33Å; M1-W6 VanDerWaalsContact CB-NE1 3.34Å; M1-I9 HydrophobicContact SD-CD1 4.34Å; M1-T37 HydrophobicContact SD-CG2 3.72Å
2S92.9Very high96.3Very high62 Ų6267.9 Ų67.943%0.43434%0.34SS..  trans-77.8160.5170.874.30000110.7Q4 E5 W6S2-Q4 PolarHBondContact O-N 3.4Å; S2-E5 PolarHBondContact N-OE2 2.89Å; S2-E5 WeakPolarHBondContact O-CB 3.36Å; S2-E5 PolarHBondContact O-N 2.96Å; S2-E5 VanDerWaalsContact O-N 3.15Å; S2-E5 PolarHBondContact OG-N 3.32Å; S2-W6 PolarHBondContact O-N 3.03Å
3K96.4Very high96.5Very high79 Ų7962.7 Ų62.734%0.34331%0.314SS..Hα-helixtrans-59.2-32.7174.5-177.3174.6173.6176.40112.6W6 I7 T104 E114K3-W6 HydrophobicContact CB-CE3 4.22Å; K3-W6 HydrophobicContact CB-CZ3 4.5Å; K3-W6 HydrophobicContact CG-CE3 4.27Å; K3-W6 WeakPolarHBondContact O-CB 3.29Å; K3-W6 PolarHBondContact O-N 3.37Å; K3-I7 HydrophobicContact CG-CD1 4.41Å; K3-I7 WeakPolarHBondContact O-CG1 3.31Å; K3-I7 PolarHBondContact O-N 3.11Å; K3-I7 VanDerWaalsContact O-N 3.09Å; K3-T104 WeakPolarHBondContact CE-OG1 3.42Å; K3-T104 PolarHBondContact NZ-OG1 2.87Å; K3-T104 VanDerWaalsContact NZ-OG1 3.14Å; K3-E114 IonicContact NZ-OE2 2.6Å; K3-E114 PolarHBondContact NZ-OE2 3.39Å
4Q97.6Very high96.6Very high109 Ų10959.1 Ų59.151%0.50930%0.296SS..Hα-helixtrans-63.4-42.8176.5-172.659.350.100111.2S2 W6 I7 D8S2-Q4 PolarHBondContact O-N 3.4Å; Q4-W6 PolarHBondContact O-N 3.14Å; Q4-I7 WeakPolarHBondContact O-CA 3.49Å; Q4-I7 WeakPolarHBondContact O-CB 3.28Å; Q4-I7 PolarHBondContact O-N 3.06Å; Q4-D8 PolarHBondContact NE2-OD1 2.85Å; Q4-D8 PolarHBondContact O-N 2.93Å
5E98.1Very high96.7Very high90 Ų9064.9 Ų64.942%0.42133%0.329SS..Hα-helixtrans-61.2-34.1176.2-67.3171.6126.400111.7M1 S2 D8 I9M1-E5 VanDerWaalsContact C-OE2 3.23Å; M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 HydrophobicContact CB-CB 4.32Å; M1-E5 VanDerWaalsContact CB-OE2 3.26Å; M1-E5 WeakPolarHBondContact CB-OE2 3.33Å; S2-E5 PolarHBondContact N-OE2 2.89Å; S2-E5 WeakPolarHBondContact O-CB 3.36Å; S2-E5 PolarHBondContact O-N 2.96Å; S2-E5 VanDerWaalsContact O-N 3.15Å; S2-E5 PolarHBondContact OG-N 3.32Å; E5-D8 PolarHBondContact O-N 2.99Å; E5-I9 WeakPolarHBondContact O-CD1 3.3Å; E5-I9 VanDerWaalsContact O-CG1 3.23Å; E5-I9 WeakPolarHBondContact O-CG1 3.39Å; E5-I9 PolarHBondContact O-N 3.23Å
6W98.5Very high96.8Very high39 Ų3968.1 Ų68.115%0.14834%0.34CS..Hα-helixtrans-68.9-36.8174.9-54.2-25.2000112.8M1 S2 K3 Q4 A10 C29 V31 H72 V74M1-W6 VanDerWaalsContact CB-NE1 3.34Å; S2-W6 PolarHBondContact O-N 3.03Å; K3-W6 HydrophobicContact CB-CE3 4.22Å; K3-W6 HydrophobicContact CB-CZ3 4.5Å; K3-W6 HydrophobicContact CG-CE3 4.27Å; K3-W6 WeakPolarHBondContact O-CB 3.29Å; K3-W6 PolarHBondContact O-N 3.37Å; Q4-W6 PolarHBondContact O-N 3.14Å; W6-A10 PolarHBondContact O-N 3.27Å; W6-A10 VanDerWaalsContact O-N 3.11Å; W6-C29 WeakPolarHBondContact O-CB 3.49Å; W6-V31 HydrophobicContact CB-CG2 4.49Å; W6-V31 HydrophobicContact CD2-CG2 3.61Å; W6-V31 HydrophobicContact CE3-CG2 4.05Å; W6-V31 HydrophobicContact CG-CG2 3.8Å; W6-V31 HydrophobicContact CH2-CG1 4.38Å; W6-V31 HydrophobicContact CZ2-CB 4.47Å; W6-V31 HydrophobicContact CZ2-CG1 3.77Å; W6-V31 HydrophobicContact CZ2-CG2 4.22Å; W6-H72 HydrophobicContact CE3-CB 4.02Å; W6-H72 AromaticContact CE3-CG 3.89Å; W6-H72 HydrophobicContact CH2-CB 4.29Å; W6-H72 HydrophobicContact CZ3-CB 3.64Å; W6-H72 AromaticContact CZ3-CG 3.57Å; W6-H72 AromaticContact CZ3-ND1 3.68Å; W6-V74 HydrophobicContact CB-CG2 3.72Å
7I98.4Very high96.9Very high19 Ų1965.2 Ų65.210%0.09733%0.329CS..Hα-helixtrans-64.1-47.1173.2-68.5167.7000110K3 Q4 I9 A10 V11 V74 T104 V106K3-I7 HydrophobicContact CG-CD1 4.41Å; K3-I7 WeakPolarHBondContact O-CG1 3.31Å; K3-I7 PolarHBondContact O-N 3.11Å; K3-I7 VanDerWaalsContact O-N 3.09Å; Q4-I7 WeakPolarHBondContact O-CA 3.49Å; Q4-I7 WeakPolarHBondContact O-CB 3.28Å; Q4-I7 PolarHBondContact O-N 3.06Å; I7-I9 VanDerWaalsContact C-N 3.32Å; I7-I9 PolarHBondContact O-N 3.42Å; I7-A10 PolarHBondContact O-N 3.3Å; I7-V11 HydrophobicContact CG2-CG2 4.17Å; I7-V11 WeakPolarHBondContact O-CG2 3.42Å; I7-V11 PolarHBondContact O-N 3.2Å; I7-V74 HydrophobicContact CG1-CG1 3.97Å; I7-T104 HydrophobicContact CD1-CG2 4.42Å; I7-V106 HydrophobicContact CG1-CG2 4.2Å; I7-V106 HydrophobicContact CG2-CG1 4.31Å; I7-V106 HydrophobicContact CG2-CG2 4.2Å
8D98Very high97Very high70 Ų7068.4 Ų68.437%0.37434%0.338SS..Hα-helixtrans-59.9-44.1179.6-59.1-20.2000110.6Q4 E5 A10 V11 E12Q4-D8 PolarHBondContact NE2-OD1 2.85Å; Q4-D8 PolarHBondContact O-N 2.93Å; E5-D8 PolarHBondContact O-N 2.99Å; D8-A10 VanDerWaalsContact C-N 3.32Å; D8-A10 PolarHBondContact O-N 3.32Å; D8-V11 PolarHBondContact O-N 3.32Å; D8-E12 WeakPolarHBondContact O-CB 3.18Å; D8-E12 VanDerWaalsContact O-CG 3.31Å; D8-E12 WeakPolarHBondContact O-CG 3.47Å; D8-E12 PolarHBondContact O-N 3.19Å
9I98.4Very high97.1Very high31 Ų3165.9 Ų65.916%0.15933%0.326CS..Hα-helixtrans-59.2-40.7174.2-67.9163.6000111.9M1 E5 I7 A13 C29 T37 Q39M1-I9 HydrophobicContact SD-CD1 4.34Å; E5-I9 WeakPolarHBondContact O-CD1 3.3Å; E5-I9 VanDerWaalsContact O-CG1 3.23Å; E5-I9 WeakPolarHBondContact O-CG1 3.39Å; E5-I9 PolarHBondContact O-N 3.23Å; I7-I9 VanDerWaalsContact C-N 3.32Å; I7-I9 PolarHBondContact O-N 3.42Å; I9-A13 PolarHBondContact O-N 3.28Å; I9-C29 HydrophobicContact CB-CB 4.15Å; I9-C29 HydrophobicContact CG2-CB 3.84Å; I9-T37 HydrophobicContact CD1-CG2 4.36Å; I9-Q39 HydrophobicContact CG2-CB 4.22Å; I9-Q39 HydrophobicContact CG2-CG 4.27Å; I9-Q39 PolarHBondContact O-NE2 3.45Å
10A98.6Very high97.2Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-70.7-37.5178.700000111.9W6 I7 D8 A13 G27 C29 V74 A76W6-A10 PolarHBondContact O-N 3.27Å; W6-A10 VanDerWaalsContact O-N 3.11Å; I7-A10 PolarHBondContact O-N 3.3Å; D8-A10 VanDerWaalsContact C-N 3.32Å; D8-A10 PolarHBondContact O-N 3.32Å; A10-A13 WeakPolarHBondContact O-CB 3.15Å; A10-A13 PolarHBondContact O-N 2.87Å; A10-G27 WeakPolarHBondContact O-CA 3.43Å; A10-C29 HydrophobicContact CB-CB 4.03Å; A10-V74 HydrophobicContact CB-CB 4.05Å; A10-V74 HydrophobicContact CB-CG1 3.78Å; A10-A76 HydrophobicContact CB-CB 4.09Å
11V98.1Very high97.2Very high63 Ų6366.2 Ų66.238%0.38233%0.327SS..Hα-helixtrans-69.4-45177.1171.60000111I7 D8 A13 L14 A76 V106I7-V11 HydrophobicContact CG2-CG2 4.17Å; I7-V11 WeakPolarHBondContact O-CG2 3.42Å; I7-V11 PolarHBondContact O-N 3.2Å; D8-V11 PolarHBondContact O-N 3.32Å; V11-A13 PolarHBondContact O-N 2.96Å; V11-A13 VanDerWaalsContact O-N 3.14Å; V11-L14 HydrophobicContact CG1-CD1 4.38Å; V11-L14 VanDerWaalsContact O-CB 3.23Å; V11-L14 WeakPolarHBondContact O-CB 3.38Å; V11-L14 WeakPolarHBondContact O-CG 3.41Å; V11-L14 PolarHBondContact O-N 2.92Å; V11-A76 HydrophobicContact CG2-CB 4.1Å; V11-V106 HydrophobicContact CG2-CG1 4.49Å
12E98.1Very high98Very high114 Ų11462.6 Ų62.653%0.53332%0.315SS..Hα-helixtrans-60.6-22.8174-74178-17400113.1D8 L14D8-E12 WeakPolarHBondContact O-CB 3.18Å; D8-E12 VanDerWaalsContact O-CG 3.31Å; D8-E12 WeakPolarHBondContact O-CG 3.47Å; D8-E12 PolarHBondContact O-N 3.19Å; E12-L14 VanDerWaalsContact C-N 3.26Å; E12-L14 PolarHBondContact O-N 3.29Å
13A98.4Very high98.3Very high0 Ų066.8 Ų66.80%033%0.326CS..THydrogen-bonded Turntrans-71.2-23176.800000112.3I9 A10 V11 D15 K16 A17 Q39 I41I9-A13 PolarHBondContact O-N 3.28Å; A10-A13 WeakPolarHBondContact O-CB 3.15Å; A10-A13 PolarHBondContact O-N 2.87Å; V11-A13 PolarHBondContact O-N 2.96Å; V11-A13 VanDerWaalsContact O-N 3.14Å; A13-D15 VanDerWaalsContact C-N 3.27Å; A13-D15 PolarHBondContact O-N 2.94Å; A13-K16 PolarHBondContact O-N 3.33Å; A13-A17 PolarHBondContact O-N 3.15Å; A13-Q39 HydrophobicContact CB-CG 3.56Å; A13-I41 HydrophobicContact CB-CG2 3.89Å; A13-I41 WeakPolarHBondContact O-CG2 3.27Å
14L98.2Very high98.4Very high12 Ų1266.9 Ų66.96%0.06333%0.327CS..G310 helixtrans-57.4-42.1179.4-62.5173.2000111.6V11 E12 K16 A17 P25 G27 A76V11-L14 HydrophobicContact CG1-CD1 4.38Å; V11-L14 VanDerWaalsContact O-CB 3.23Å; V11-L14 WeakPolarHBondContact O-CB 3.38Å; V11-L14 WeakPolarHBondContact O-CG 3.41Å; V11-L14 PolarHBondContact O-N 2.92Å; E12-L14 VanDerWaalsContact C-N 3.26Å; E12-L14 PolarHBondContact O-N 3.29Å; L14-K16 PolarHBondContact O-N 2.84Å; L14-K16 VanDerWaalsContact O-N 3.17Å; L14-A17 WeakPolarHBondContact O-CB 3.35Å; L14-A17 PolarHBondContact O-N 2.85Å; L14-P25 HydrophobicContact CB-CB 4.25Å; L14-P25 HydrophobicContact CD2-CB 4.26Å; L14-P25 WeakPolarHBondContact CD2-O 3.41Å; L14-P25 VanDerWaalsContact O-CB 3.31Å; L14-P25 WeakPolarHBondContact O-CB 3.41Å; L14-G27 VanDerWaalsContact CD2-N 3.34Å; L14-A76 WeakPolarHBondContact CD2-O 3.09Å
15D98.1Very high98.4Very high147 Ų14762.8 Ų62.879%0.78631%0.309SS*.G310 helixtrans-67.5-16.3-179.4-66.5-32.5000113.5A13A13-D15 VanDerWaalsContact C-N 3.27Å; A13-D15 PolarHBondContact O-N 2.94Å
16K98.4Very high98.4Very high115 Ų11559.1 Ų59.150%0.529%0.293SS..G310 helixtrans-97-10.1-178.1-57.2177.1-164.71760112.4A13 L14 I41A13-K16 PolarHBondContact O-N 3.33Å; L14-K16 PolarHBondContact O-N 2.84Å; L14-K16 VanDerWaalsContact O-N 3.17Å; K16-I41 HydrophobicContact CB-CD1 4.42Å; K16-I41 HydrophobicContact CB-CG2 4.01Å; K16-I41 WeakPolarHBondContact O-CD1 3.35Å
17A98.7Very high98.5Very high20 Ų2057.2 Ų57.217%0.16529%0.286CS..  trans-60.8135.9-176.100000112.5A13 L14 V19 P25 I41 N42A13-A17 PolarHBondContact O-N 3.15Å; L14-A17 WeakPolarHBondContact O-CB 3.35Å; L14-A17 PolarHBondContact O-N 2.85Å; A17-V19 HydrophobicContact CB-CG1 4.03Å; A17-V19 HydrophobicContact CB-CG2 4.2Å; A17-V19 PolarHBondContact O-N 3.42Å; A17-P25 HydrophobicContact CB-CB 3.71Å; A17-I41 HydrophobicContact CB-CB 4.46Å; A17-N42 VanDerWaalsContact CB-OD1 3.29Å; A17-N42 WeakPolarHBondContact CB-OD1 3.43Å
18Y98.9Very high98.5Very high123 Ų12356.3 Ų56.348%0.48228%0.281SS..BIsolated β-bridgetrans-94.587.4173.5-179.4-99.5000109.2P20 N42 I43 E44Y18-P20 VanDerWaalsContact C-CD 3.4Å; Y18-P20 HydrophobicContact CD1-CG 4.39Å; Y18-P20 HydrophobicContact CE1-CG 3.81Å; Y18-P20 HydrophobicContact CE2-CG 4.13Å; Y18-N42 PolarHBondContact N-O 3.46Å; Y18-N42 VanDerWaalsContact N-O 3.09Å; Y18-I43 HydrophobicContact CD1-CG2 4.12Å; Y18-E44 WeakPolarHBondContact CD1-O 3.28Å; Y18-E44 VanDerWaalsContact CE1-O 3.28Å; Y18-E44 WeakPolarHBondContact CE1-O 3.49Å; Y18-E44 WeakPolarHBondContact O-CG 3.29Å; Y18-E44 PolarHBondContact O-N 2.77Å
19V98.8Very high98.5Very high20 Ų2053 Ų5312%0.12126%0.263CS..  trans-127.351.7-171.9-67.80000113.8A17 Y21 K23 F24 P25 N42 E44A17-V19 HydrophobicContact CB-CG1 4.03Å; A17-V19 HydrophobicContact CB-CG2 4.2Å; A17-V19 PolarHBondContact O-N 3.42Å; V19-Y21 PolarHBondContact O-N 3.28Å; V19-K23 WeakPolarHBondContact O-CA 3.2Å; V19-K23 PolarHBondContact O-N 2.73Å; V19-K23 VanDerWaalsContact O-N 3.11Å; V19-F24 WeakPolarHBondContact CG1-O 3.25Å; V19-P25 HydrophobicContact CG2-CB 4.22Å; V19-N42 WeakPolarHBondContact CG1-ND2 3.49Å; V19-N42 WeakPolarHBondContact CG1-OD1 3.06Å; V19-E44 WeakPolarHBondContact CA-OE2 3.32Å; V19-E44 HydrophobicContact CB-CG 4.35Å; V19-E44 HydrophobicContact CG1-CG 4Å
20P98.6Very high98.5Very high48 Ų4851.5 Ų51.531%0.31226%0.256SS..THydrogen-bonded Turntrans-69.3-16.5-175.231.2-36.4000113.5Y18 K23Y18-P20 VanDerWaalsContact C-CD 3.4Å; Y18-P20 HydrophobicContact CD1-CG 4.39Å; Y18-P20 HydrophobicContact CE1-CG 3.81Å; Y18-P20 HydrophobicContact CE2-CG 4.13Å; P20-K23 WeakPolarHBondContact O-CE 3.04Å; P20-K23 PolarHBondContact O-NZ 3.48Å
21Y98.7Very high98.6Very high90 Ų9051.5 Ų51.535%0.35326%0.256SS..THydrogen-bonded Turntrans-94.9-54.6-175.7-47.6-83.9000111.4V19 E44 A46 Y48V19-Y21 PolarHBondContact O-N 3.28Å; Y21-E44 WeakPolarHBondContact CA-OE2 2.91Å; Y21-E44 WeakPolarHBondContact CB-OE2 3.37Å; Y21-E44 HydrophobicContact CD2-CB 3.49Å; Y21-E44 VanDerWaalsContact CD2-CB 3.49Å; Y21-E44 HydrophobicContact CD2-CG 4.42Å; Y21-E44 WeakPolarHBondContact CD2-OE2 3.4Å; Y21-E44 HydrophobicContact CE2-CB 3.89Å; Y21-E44 PolarHBondContact N-OE2 3.09Å; Y21-A46 HydrophobicContact CE1-CB 4.01Å; Y21-A46 WeakPolarHBondContact OH-CB 3.26Å; Y21-A46 PolarHBondContact OH-N 3.43Å; Y21-Y48 HydrophobicContact CD1-CE1 4.03Å; Y21-Y48 HydrophobicContact CG-CE1 4.03Å
22S98.2Very high98.6Very high63 Ų6348.6 Ų48.644%0.44124%0.238SC..THydrogen-bonded Turntrans-81.3-25.7-179.568.40000114F24 E44S22-F24 PolarHBondContact O-N 3.43Å; S22-F24 WeakPolarHBondContact OG-CB 3.41Å; S22-F24 PolarHBondContact OG-N 3.23Å; S22-E44 WeakPolarHBondContact CB-OE1 3.26Å; S22-E44 PolarHBondContact N-OE1 3.37Å; S22-E44 PolarHBondContact N-OE2 3.13Å; S22-E44 PolarHBondContact OG-OE1 3.28Å
23K98.3Very high98.5Very high151 Ų15150 Ų5066%0.65724%0.242SC*.  trans57.927.3-166.7-47.2-54-168.8-170.50113.3V19 P20 P25V19-K23 WeakPolarHBondContact O-CA 3.2Å; V19-K23 PolarHBondContact O-N 2.73Å; V19-K23 VanDerWaalsContact O-N 3.11Å; P20-K23 WeakPolarHBondContact O-CE 3.04Å; P20-K23 PolarHBondContact O-NZ 3.48Å; K23-P25 WeakPolarHBondContact O-CD 3.01Å
24F98.6Very high98.5Very high81 Ų8158.2 Ų58.236%0.35528%0.281SS..  trans-116.989.6-177.2-170-98.1000110.8V19 S22 V26 N42 T79 I83V19-F24 WeakPolarHBondContact CG1-O 3.25Å; S22-F24 PolarHBondContact O-N 3.43Å; S22-F24 WeakPolarHBondContact OG-CB 3.41Å; S22-F24 PolarHBondContact OG-N 3.23Å; F24-V26 HydrophobicContact CD1-CG2 3.72Å; F24-V26 HydrophobicContact CE1-CG2 3.58Å; F24-N42 PolarHBondContact O-ND2 3.02Å; F24-T79 HydrophobicContact CE2-CG2 3.88Å; F24-T79 HydrophobicContact CZ-CG2 3.61Å; F24-I83 HydrophobicContact CE1-CD1 4.25Å; F24-I83 HydrophobicContact CZ-CD1 4.47Å
25P98.6Very high98.4Very high22 Ų2259.6 Ų59.614%0.14330%0.297CS..  trans-71.9139.6179.931.2-35.1000110.8L14 A17 V19 K23L14-P25 HydrophobicContact CB-CB 4.25Å; L14-P25 HydrophobicContact CD2-CB 4.26Å; L14-P25 WeakPolarHBondContact CD2-O 3.41Å; L14-P25 VanDerWaalsContact O-CB 3.31Å; L14-P25 WeakPolarHBondContact O-CB 3.41Å; A17-P25 HydrophobicContact CB-CB 3.71Å; V19-P25 HydrophobicContact CG2-CB 4.22Å; K23-P25 WeakPolarHBondContact O-CD 3.01Å
26V98.8Very high98.4Very high13 Ų1357.2 Ų57.28%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-131.7134.7173.2-174.70000108.2F24 I41 N42 A54 V75 A76 I83F24-V26 HydrophobicContact CD1-CG2 3.72Å; F24-V26 HydrophobicContact CE1-CG2 3.58Å; V26-I41 WeakPolarHBondContact O-CA 3.39Å; V26-N42 HydrophobicContact CB-CB 4.33Å; V26-N42 PolarHBondContact N-OD1 3.29Å; V26-N42 PolarHBondContact O-N 3.45Å; V26-N42 PolarHBondContact O-OD1 3.02Å; V26-A54 HydrophobicContact CB-CB 4.07Å; V26-A54 HydrophobicContact CG1-CB 3.7Å; V26-A54 WeakPolarHBondContact O-CB 3.35Å; V26-V75 HydrophobicContact CG1-CG1 4Å; V26-A76 WeakPolarHBondContact CA-O 3.45Å; V26-A76 WeakPolarHBondContact CG1-O 3.3Å; V26-I83 HydrophobicContact CB-CD1 4.43Å; V26-I83 HydrophobicContact CG1-CD1 3.73Å; V26-I83 HydrophobicContact CG2-CD1 3.89Å
27G98.8Very high98.4Very high0 Ų053.7 Ų53.70%027%0.268CS..EExtended strand (participates in β ladder)trans-121.5148.9-179.400000111.1A10 L14 V75 A76A10-G27 WeakPolarHBondContact O-CA 3.43Å; L14-G27 VanDerWaalsContact CD2-N 3.34Å; G27-V75 WeakPolarHBondContact O-CA 3.38Å; G27-A76 PolarHBondContact N-O 2.76Å; G27-A76 PolarHBondContact O-N 2.67Å
28A98.9Very high98.4Very high0 Ų053 Ų530%026%0.262CS..EExtended strand (participates in β ladder)trans-141.7150.3177.300000112.2Q39 G40 A54 A58 L73 V74A28-Q39 CarbonylContact O-C 3.55Å; A28-Q39 WeakPolarHBondContact O-CA 3.32Å; A28-G40 PolarHBondContact N-O 3.31Å; A28-G40 PolarHBondContact O-N 2.86Å; A28-A54 HydrophobicContact CB-CB 3.84Å; A28-A58 HydrophobicContact CB-CB 4.19Å; A28-L73 HydrophobicContact CB-CD1 4.38Å; A28-V74 CarbonylContact C-O 3.55Å; A28-V74 WeakPolarHBondContact CA-O 3.5Å
29C98.9Very high98.4Very high0 Ų049.4 Ų49.40%025%0.249CC..EExtended strand (participates in β ladder)trans-132.1109171.5-176.80000109.2W6 I9 A10 V74W6-C29 WeakPolarHBondContact O-CB 3.49Å; I9-C29 HydrophobicContact CB-CB 4.15Å; I9-C29 HydrophobicContact CG2-CB 3.84Å; A10-C29 HydrophobicContact CB-CB 4.03Å; C29-V74 HydrophobicContact CB-CB 4.33Å; C29-V74 PolarHBondContact N-O 3.05Å; C29-V74 PolarHBondContact O-N 3.33Å
30L98.9Very high98.4Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-93134.3173.8-178.968.2000109.7T37 Y38 A58 I59 A62 F70 L73L30-T37 CarbonylContact O-C 3.59Å; L30-T37 VanDerWaalsContact O-CA 3.28Å; L30-T37 WeakPolarHBondContact O-CA 3.47Å; L30-Y38 PolarHBondContact N-O 2.81Å; L30-Y38 PolarHBondContact O-N 3.1Å; L30-A58 HydrophobicContact CB-CB 3.95Å; L30-I59 HydrophobicContact CD2-CB 4.35Å; L30-I59 HydrophobicContact CD2-CG1 3.88Å; L30-A62 HydrophobicContact CD2-CB 3.79Å; L30-F70 HydrophobicContact CD1-CB 4.01Å; L30-F70 HydrophobicContact CD1-CD1 4.05Å; L30-F70 HydrophobicContact CD1-CG 3.96Å; L30-F70 HydrophobicContact CD2-CD1 3.64Å; L30-F70 HydrophobicContact CD2-CE1 3.62Å; L30-F70 HydrophobicContact CD2-CG 4.15Å; L30-F70 HydrophobicContact CD2-CZ 4.1Å; L30-F70 HydrophobicContact CG-CD1 3.8Å; L30-F70 HydrophobicContact CG-CE1 4.27Å; L30-F70 HydrophobicContact CG-CG 4.24Å; L30-L73 HydrophobicContact CB-CD1 4.06Å; L30-L73 HydrophobicContact CD1-CB 4.21Å; L30-L73 HydrophobicContact CD1-CD1 4.11Å
31V98.8Very high98.5Very high0 Ų047.8 Ų47.80%024%0.237CC..EExtended strand (participates in β ladder)trans-115.5127.8-178.6-166.30000109.3W6 T37 F70 S71 H72W6-V31 HydrophobicContact CB-CG2 4.49Å; W6-V31 HydrophobicContact CD2-CG2 3.61Å; W6-V31 HydrophobicContact CE3-CG2 4.05Å; W6-V31 HydrophobicContact CG-CG2 3.8Å; W6-V31 HydrophobicContact CH2-CG1 4.38Å; W6-V31 HydrophobicContact CZ2-CB 4.47Å; W6-V31 HydrophobicContact CZ2-CG1 3.77Å; W6-V31 HydrophobicContact CZ2-CG2 4.22Å; V31-T37 HydrophobicContact CG1-CG2 4.41Å; V31-T37 HydrophobicContact CG2-CG2 4.28Å; V31-F70 CarbonylContact O-C 3.5Å; V31-F70 WeakPolarHBondContact O-CA 3.31Å; V31-S71 PolarHBondContact O-N 2.9Å; V31-S71 PolarHBondContact O-OG 3.17Å; V31-H72 HydrophobicContact CB-CB 4.14Å; V31-H72 HydrophobicContact CG2-CB 4.13Å; V31-H72 PolarHBondContact N-O 2.85Å; V31-H72 PolarHBondContact O-N 3.08Å
32T98.6Very high98.5Very high1 Ų144 Ų441%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-76.5166.417561.50000111.4E34 G35 K36 Y38 E67 A69 F70 S71T32-E34 PolarHBondContact O-N 2.89Å; T32-G35 PolarHBondContact O-N 3.26Å; T32-G35 VanDerWaalsContact O-N 3.1Å; T32-G35 PolarHBondContact OG1-N 2.87Å; T32-K36 HydrophobicContact CG2-CB 4.25Å; T32-K36 PolarHBondContact N-O 2.82Å; T32-K36 WeakPolarHBondContact OG1-CA 3.5Å; T32-K36 WeakPolarHBondContact OG1-CB 3.41Å; T32-K36 PolarHBondContact OG1-N 3.47Å; T32-K36 PolarHBondContact OG1-O 3.27Å; T32-Y38 HydrophobicContact CG2-CD2 4.08Å; T32-Y38 HydrophobicContact CG2-CE2 3.66Å; T32-E67 HydrophobicContact CG2-CB 4.18Å; T32-E67 HydrophobicContact CG2-CG 3.83Å; T32-E67 WeakPolarHBondContact CG2-OE2 3.4Å; T32-A69 CarbonylContact C-O 3.58Å; T32-A69 VanDerWaalsContact CA-O 3.3Å; T32-A69 WeakPolarHBondContact CA-O 3.41Å; T32-F70 HydrophobicContact CG2-CD1 4.25Å; T32-F70 HydrophobicContact CG2-CE1 4.36Å; T32-S71 PolarHBondContact O-OG 3.03Å
33K97.4Very high98.5Very high144 Ų14444.6 Ų44.663%0.62622%0.22SC*.THydrogen-bonded Turntrans-64.2-22.5171.5-71.7-163.6-178.5179.90113.2G35 A69K33-G35 VanDerWaalsContact C-N 3.31Å; K33-A69 HydrophobicContact CB-CB 4.23Å; K33-A69 HydrophobicContact CD-CB 3.98Å; K33-A69 HydrophobicContact CG-CB 3.95Å; K33-A69 PolarHBondContact N-O 2.75Å
34E96.7Very high98.5Very high173 Ų17338.2 Ų38.281%0.80819%0.193SC*.THydrogen-bonded Turntrans-87.6-2.7176.5-64.4171.4-172.700112.4T32T32-E34 PolarHBondContact O-N 2.89Å
35G97.2Very high98.5Very high40 Ų4037.7 Ų37.741%0.41219%0.194SC..SBendtrans86.82.5176.600000115.2T32 K33T32-G35 PolarHBondContact O-N 3.26Å; T32-G35 VanDerWaalsContact O-N 3.1Å; T32-G35 PolarHBondContact OG1-N 2.87Å; K33-G35 VanDerWaalsContact C-N 3.31Å
36K98.2Very high98.5Very high98 Ų9839.9 Ų39.943%0.42621%0.213SC..  trans-67.6140.5169.3-172.1176177.1-169.50110.4T32 Y38 E67T32-K36 HydrophobicContact CG2-CB 4.25Å; T32-K36 PolarHBondContact N-O 2.82Å; T32-K36 WeakPolarHBondContact OG1-CA 3.5Å; T32-K36 WeakPolarHBondContact OG1-CB 3.41Å; T32-K36 PolarHBondContact OG1-N 3.47Å; T32-K36 PolarHBondContact OG1-O 3.27Å; K36-Y38 HydrophobicContact CB-CE2 4.38Å; K36-Y38 HydrophobicContact CD-CE2 3.85Å; K36-Y38 WeakPolarHBondContact CD-OH 3.33Å; K36-Y38 WeakPolarHBondContact CE-OH 3.49Å; K36-Y38 HydrophobicContact CG-CE2 3.84Å; K36-Y38 PolarHBondContact NZ-OH 3.14Å; K36-E67 WeakPolarHBondContact CD-OE1 3.44Å; K36-E67 IonicContact NZ-OE1 3.66Å
37T98.7Very high98.5Very high40 Ų4042.5 Ų42.525%0.24523%0.233CC..EExtended strand (participates in β ladder)trans-111146.2-178.458.50000112.2M1 I9 L30 V31M1-T37 HydrophobicContact SD-CG2 3.72Å; I9-T37 HydrophobicContact CD1-CG2 4.36Å; L30-T37 CarbonylContact O-C 3.59Å; L30-T37 VanDerWaalsContact O-CA 3.28Å; L30-T37 WeakPolarHBondContact O-CA 3.47Å; V31-T37 HydrophobicContact CG1-CG2 4.41Å; V31-T37 HydrophobicContact CG2-CG2 4.28Å
38Y98.8Very high98.5Very high7 Ų750.2 Ų50.23%0.02726%0.263CS..EExtended strand (participates in β ladder)trans-129.2111.9177.1-68.6-93.5000109.6L30 T32 K36 K61 A62 E65 E67L30-Y38 PolarHBondContact N-O 2.81Å; L30-Y38 PolarHBondContact O-N 3.1Å; T32-Y38 HydrophobicContact CG2-CD2 4.08Å; T32-Y38 HydrophobicContact CG2-CE2 3.66Å; K36-Y38 HydrophobicContact CB-CE2 4.38Å; K36-Y38 HydrophobicContact CD-CE2 3.85Å; K36-Y38 WeakPolarHBondContact CD-OH 3.33Å; K36-Y38 WeakPolarHBondContact CE-OH 3.49Å; K36-Y38 HydrophobicContact CG-CE2 3.84Å; K36-Y38 PolarHBondContact NZ-OH 3.14Å; Y38-K61 HydrophobicContact CD1-CB 4.5Å; Y38-K61 HydrophobicContact CD1-CD 4.22Å; Y38-K61 HydrophobicContact CD1-CG 4.03Å; Y38-A62 HydrophobicContact CD1-CB 3.89Å; Y38-A62 HydrophobicContact CD2-CB 3.58Å; Y38-A62 HydrophobicContact CE1-CB 4.14Å; Y38-A62 HydrophobicContact CE2-CB 3.86Å; Y38-A62 HydrophobicContact CG-CB 3.58Å; Y38-E65 HydrophobicContact CE1-CB 4Å; Y38-E65 HydrophobicContact CE1-CG 3.99Å; Y38-E67 HydrophobicContact CE2-CG 3.53Å; Y38-E67 WeakPolarHBondContact OH-CG 3.46Å; Y38-E67 PolarHBondContact OH-OE1 3.21Å
39Q98.7Very high98.5Very high47 Ų4754 Ų5422%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-77.9137.6175.4-170.817470.300110.7I9 A13 A28I9-Q39 HydrophobicContact CG2-CB 4.22Å; I9-Q39 HydrophobicContact CG2-CG 4.27Å; I9-Q39 PolarHBondContact O-NE2 3.45Å; A13-Q39 HydrophobicContact CB-CG 3.56Å; A28-Q39 CarbonylContact O-C 3.55Å; A28-Q39 WeakPolarHBondContact O-CA 3.32Å
40G98.9Very high98.4Very high1 Ų159.7 Ų59.71%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-128.3152.7172.700000112.1A28A28-G40 PolarHBondContact N-O 3.31Å; A28-G40 PolarHBondContact O-N 2.86Å
41I98.9Very high98.4Very high32 Ų3261.4 Ų61.416%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-136.1154.2176.556.9169.5000110A13 K16 A17 V26 I43 A54 T57A13-I41 HydrophobicContact CB-CG2 3.89Å; A13-I41 WeakPolarHBondContact O-CG2 3.27Å; K16-I41 HydrophobicContact CB-CD1 4.42Å; K16-I41 HydrophobicContact CB-CG2 4.01Å; K16-I41 WeakPolarHBondContact O-CD1 3.35Å; A17-I41 HydrophobicContact CB-CB 4.46Å; V26-I41 WeakPolarHBondContact O-CA 3.39Å; I41-I43 HydrophobicContact CD1-CD1 4.5Å; I41-I43 HydrophobicContact CD1-CG1 4.13Å; I41-I43 HydrophobicContact CG1-CD1 4.33Å; I41-I43 HydrophobicContact CG1-CG1 3.98Å; I41-A54 WeakPolarHBondContact O-CA 3.23Å; I41-T57 WeakPolarHBondContact O-CB 3.25Å; I41-T57 PolarHBondContact O-OG1 3.28Å
42N98.9Very high98.4Very high11 Ų1163.1 Ų63.16%0.05935%0.352CS..  trans-75.6140.316663.6-31.1000111.3A17 Y18 V19 F24 V26 N52A17-N42 VanDerWaalsContact CB-OD1 3.29Å; A17-N42 WeakPolarHBondContact CB-OD1 3.43Å; Y18-N42 PolarHBondContact N-O 3.46Å; Y18-N42 VanDerWaalsContact N-O 3.09Å; V19-N42 WeakPolarHBondContact CG1-ND2 3.49Å; V19-N42 WeakPolarHBondContact CG1-OD1 3.06Å; F24-N42 PolarHBondContact O-ND2 3.02Å; V26-N42 HydrophobicContact CB-CB 4.33Å; V26-N42 PolarHBondContact N-OD1 3.29Å; V26-N42 PolarHBondContact O-N 3.45Å; V26-N42 PolarHBondContact O-OD1 3.02Å; N42-N52 CarbonylContact C-O 3.58Å; N42-N52 WeakPolarHBondContact CA-O 3.41Å; N42-N52 WeakPolarHBondContact CB-O 3.39Å
43I98.9Very high98.5Very high76 Ų7664.4 Ų64.439%0.3936%0.36SS..BIsolated β-bridgetrans-131.5109.5-176.8-54.6173.6000107Y18 I41 N52Y18-I43 HydrophobicContact CD1-CG2 4.12Å; I41-I43 HydrophobicContact CD1-CD1 4.5Å; I41-I43 HydrophobicContact CD1-CG1 4.13Å; I41-I43 HydrophobicContact CG1-CD1 4.33Å; I41-I43 HydrophobicContact CG1-CG1 3.98Å; I43-N52 PolarHBondContact N-O 3.26Å; I43-N52 PolarHBondContact O-N 3.22Å
44E98.9Very high98.5Very high17 Ų1757.5 Ų57.58%0.07933%0.33CS..  trans-89.3167-177.4-58-173.2144.700113.1Y18 V19 Y21 S22 T51Y18-E44 WeakPolarHBondContact CD1-O 3.28Å; Y18-E44 VanDerWaalsContact CE1-O 3.28Å; Y18-E44 WeakPolarHBondContact CE1-O 3.49Å; Y18-E44 WeakPolarHBondContact O-CG 3.29Å; Y18-E44 PolarHBondContact O-N 2.77Å; V19-E44 WeakPolarHBondContact CA-OE2 3.32Å; V19-E44 HydrophobicContact CB-CG 4.35Å; V19-E44 HydrophobicContact CG1-CG 4Å; Y21-E44 WeakPolarHBondContact CA-OE2 2.91Å; Y21-E44 WeakPolarHBondContact CB-OE2 3.37Å; Y21-E44 HydrophobicContact CD2-CB 3.49Å; Y21-E44 VanDerWaalsContact CD2-CB 3.49Å; Y21-E44 HydrophobicContact CD2-CG 4.42Å; Y21-E44 WeakPolarHBondContact CD2-OE2 3.4Å; Y21-E44 HydrophobicContact CE2-CB 3.89Å; Y21-E44 PolarHBondContact N-OE2 3.09Å; S22-E44 WeakPolarHBondContact CB-OE1 3.26Å; S22-E44 PolarHBondContact N-OE1 3.37Å; S22-E44 PolarHBondContact N-OE2 3.13Å; S22-E44 PolarHBondContact OG-OE1 3.28Å; E44-T51 HydrophobicContact CB-CG2 4.43Å; E44-T51 HydrophobicContact CG-CG2 3.97Å
45N98.9Very high98.6Very high70 Ų7049.6 Ų49.637%0.37429%0.293SS..  trans-143.4154.3173.8-164.1-84.2000110.5S47 Y48 L50N45-S47 CarbonylContact O-C 3.49Å; N45-S47 PolarHBondContact O-N 2.85Å; N45-S47 PolarHBondContact OD1-N 3.31Å; N45-Y48 WeakPolarHBondContact O-CD1 3.44Å; N45-L50 HydrophobicContact CB-CB 3.94Å
46A98.4Very high98.7Very high67 Ų6750.1 Ų50.155%0.55428%0.283SS*.SBendtrans-59.5-32.7175.600000112.2Y21 Y48Y21-A46 HydrophobicContact CE1-CB 4.01Å; Y21-A46 WeakPolarHBondContact OH-CB 3.26Å; Y21-A46 PolarHBondContact OH-N 3.43Å; A46-Y48 WeakPolarHBondContact O-CD1 3.2Å; A46-Y48 PolarHBondContact O-N 2.82Å
47S98.5Very high98.7Very high69 Ų6946.7 Ų46.748%0.48327%0.27SS..SBendtrans-81.995.6164.3-175.90000108.8N45 G49 L50N45-S47 CarbonylContact O-C 3.49Å; N45-S47 PolarHBondContact O-N 2.85Å; N45-S47 PolarHBondContact OD1-N 3.31Å; S47-G49 PolarHBondContact O-N 3.33Å; S47-L50 WeakPolarHBondContact O-CB 3.33Å; S47-L50 PolarHBondContact O-N 3.45Å
48Y97.9Very high98.8Very high161 Ų16144.8 Ų44.863%0.63126%0.258SS*.G310 helixtrans-57.8-27-167-71.85.7000114.2Y21 N45 A46 L50 T51Y21-Y48 HydrophobicContact CD1-CE1 4.03Å; Y21-Y48 HydrophobicContact CG-CE1 4.03Å; N45-Y48 WeakPolarHBondContact O-CD1 3.44Å; A46-Y48 WeakPolarHBondContact O-CD1 3.2Å; A46-Y48 PolarHBondContact O-N 2.82Å; Y48-L50 PolarHBondContact O-N 2.91Å; Y48-T51 WeakPolarHBondContact O-CB 3.44Å; Y48-T51 PolarHBondContact O-N 3.3Å; Y48-T51 PolarHBondContact O-OG1 2.93Å
49G98.4Very high98.8Very high80 Ų8044.5 Ų44.583%0.82526%0.257SS*.G310 helixtrans-64.9-14.9174.700000114.5S47S47-G49 PolarHBondContact O-N 3.33Å
50L98.7Very high98.8Very high119 Ų11946.3 Ų46.362%0.62327%0.265SS*.G310 helixtrans-92.70.7177.4-61.2178.8000113.5N45 S47 Y48 N52N45-L50 HydrophobicContact CB-CB 3.94Å; S47-L50 WeakPolarHBondContact O-CB 3.33Å; S47-L50 PolarHBondContact O-N 3.45Å; Y48-L50 PolarHBondContact O-N 2.91Å; L50-N52 PolarHBondContact O-N 2.8Å
51T98.8Very high98.8Very high36 Ų3651.2 Ų51.222%0.22129%0.286CS..  trans-62.8128.1176.8-670000111.1E44 Y48 R56E44-T51 HydrophobicContact CB-CG2 4.43Å; E44-T51 HydrophobicContact CG-CG2 3.97Å; Y48-T51 WeakPolarHBondContact O-CB 3.44Å; Y48-T51 PolarHBondContact O-N 3.3Å; Y48-T51 PolarHBondContact O-OG1 2.93Å; T51-R56 PolarHBondContact O-NH2 2.98Å
52N98.9Very high98.8Very high37 Ų3749.7 Ų49.720%0.19828%0.278CS..BIsolated β-bridgetrans-104.8136.3174.4-162.858.3000110.7N42 I43 L50 R56 T57N42-N52 CarbonylContact C-O 3.58Å; N42-N52 WeakPolarHBondContact CA-O 3.41Å; N42-N52 WeakPolarHBondContact CB-O 3.39Å; I43-N52 PolarHBondContact N-O 3.26Å; I43-N52 PolarHBondContact O-N 3.22Å; L50-N52 PolarHBondContact O-N 2.8Å; N52-R56 WeakPolarHBondContact OD1-CB 3.46Å; N52-T57 PolarHBondContact ND2-N 3.18Å; N52-T57 PolarHBondContact ND2-OG1 3.02Å
53C98.9Very high98.7Very high27 Ų2751.8 Ų51.818%0.18229%0.291CS..  trans-89.8161.7-177.9-58.30000111.6E55 R56 T57 C89C53-E55 VanDerWaalsContact CB-OE2 3.23Å; C53-E55 WeakPolarHBondContact CB-OE2 3.44Å; C53-E55 PolarHBondContact O-N 3.25Å; C53-R56 PolarHBondContact O-N 3.44Å; C53-R56 PolarHBondContact SG-NH2 3.4Å; C53-T57 PolarHBondContact O-N 2.84Å; C53-T57 PolarHBondContact O-OG1 3.45Å; C53-T57 VanDerWaalsContact O-OG1 3.13Å; C53-C89 WeakPolarHBondContact CB-SG 3.47Å
54A98.9Very high98.7Very high0 Ų052.4 Ų52.40%030%0.302CS..Hα-helixtrans-61.3-41.6-175.300000113.6V26 A28 I41 R56 T57 A58V26-A54 HydrophobicContact CB-CB 4.07Å; V26-A54 HydrophobicContact CG1-CB 3.7Å; V26-A54 WeakPolarHBondContact O-CB 3.35Å; A28-A54 HydrophobicContact CB-CB 3.84Å; I41-A54 WeakPolarHBondContact O-CA 3.23Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 3.47Å; A54-T57 WeakPolarHBondContact O-CB 3.23Å; A54-T57 PolarHBondContact O-N 2.85Å; A54-A58 PolarHBondContact O-N 3Å
55E98.9Very high98.7Very high7 Ų757.3 Ų57.33%0.03333%0.325CS..Hα-helixtrans-60.4-47.4179.2-46.995.3121.700110.1C53 A58 I59 L73 V75 P85 C89 M93C53-E55 VanDerWaalsContact CB-OE2 3.23Å; C53-E55 WeakPolarHBondContact CB-OE2 3.44Å; C53-E55 PolarHBondContact O-N 3.25Å; E55-A58 PolarHBondContact O-N 3.49Å; E55-I59 VanDerWaalsContact O-CG1 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.19Å; E55-I59 PolarHBondContact O-N 2.96Å; E55-L73 HydrophobicContact CB-CD2 4.4Å; E55-V75 HydrophobicContact CG-CG1 4Å; E55-V75 HydrophobicContact CG-CG2 3.64Å; E55-P85 WeakPolarHBondContact OE1-CA 3.46Å; E55-P85 WeakPolarHBondContact OE1-CB 3.23Å; E55-C89 HydrophobicContact CB-CB 4.17Å; E55-C89 HydrophobicContact CG-CB 4.28Å; E55-C89 WeakPolarHBondContact OE1-CB 3.5Å; E55-C89 PolarHBondContact OE1-SG 3.09Å; E55-C89 PolarHBondContact OE2-SG 3.06Å; E55-M93 HydrophobicContact CG-CE 4.5Å
56R98.9Very high98.7Very high51 Ų5156.6 Ų56.619%0.19233%0.334CS..Hα-helixtrans-62.3-44.3176.4-73.7-173-73.6154.42.7111.3T51 N52 C53 A54 A58 I59 F60 V92T51-R56 PolarHBondContact O-NH2 2.98Å; N52-R56 WeakPolarHBondContact OD1-CB 3.46Å; C53-R56 PolarHBondContact O-N 3.44Å; C53-R56 PolarHBondContact SG-NH2 3.4Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 3.47Å; R56-A58 PolarHBondContact O-N 2.8Å; R56-I59 PolarHBondContact O-N 3.27Å; R56-F60 HydrophobicContact CB-CD2 4.15Å; R56-F60 HydrophobicContact CB-CE2 3.66Å; R56-F60 HydrophobicContact CB-CZ 3.93Å; R56-F60 HydrophobicContact CG-CE2 4.19Å; R56-F60 HydrophobicContact CG-CZ 4.01Å; R56-F60 VanDerWaalsContact O-CB 3.25Å; R56-F60 WeakPolarHBondContact O-CB 3.35Å; R56-F60 WeakPolarHBondContact O-CD2 3.46Å; R56-F60 WeakPolarHBondContact O-CG 3.17Å; R56-F60 PolarHBondContact O-N 3.08Å; R56-V92 HydrophobicContact CG-CB 4.19Å; R56-V92 HydrophobicContact CG-CG1 4.17Å; R56-V92 HydrophobicContact CG-CG2 4.03Å
57T98.9Very high98.7Very high26 Ų2654.6 Ų54.616%0.1631%0.313CS..Hα-helixtrans-57.8-46.4175.4-59.20000111.7I41 N52 C53 A54 K61I41-T57 WeakPolarHBondContact O-CB 3.25Å; I41-T57 PolarHBondContact O-OG1 3.28Å; N52-T57 PolarHBondContact ND2-N 3.18Å; N52-T57 PolarHBondContact ND2-OG1 3.02Å; C53-T57 PolarHBondContact O-N 2.84Å; C53-T57 PolarHBondContact O-OG1 3.45Å; C53-T57 VanDerWaalsContact O-OG1 3.13Å; A54-T57 WeakPolarHBondContact O-CB 3.23Å; A54-T57 PolarHBondContact O-N 2.85Å; T57-K61 VanDerWaalsContact O-CB 3.27Å; T57-K61 WeakPolarHBondContact O-CB 3.42Å; T57-K61 PolarHBondContact O-N 3.17Å
58A98.9Very high98.6Very high0 Ų060.1 Ų60.10%033%0.328CS..Hα-helixtrans-63.5-48.3179.900000111.9A28 L30 A54 E55 R56 A62A28-A58 HydrophobicContact CB-CB 4.19Å; L30-A58 HydrophobicContact CB-CB 3.95Å; A54-A58 PolarHBondContact O-N 3Å; E55-A58 PolarHBondContact O-N 3.49Å; R56-A58 PolarHBondContact O-N 2.8Å; A58-A62 PolarHBondContact O-N 3.02Å; A58-A62 VanDerWaalsContact O-N 3.08Å
59I98.9Very high98.6Very high0 Ų054.5 Ų54.50%032%0.315CS..Hα-helixtrans-62.9-51.4179.4-66.9166.1000110.8L30 E55 R56 K61 A62 V63 V92 M93 F96L30-I59 HydrophobicContact CD2-CB 4.35Å; L30-I59 HydrophobicContact CD2-CG1 3.88Å; E55-I59 VanDerWaalsContact O-CG1 3.3Å; E55-I59 WeakPolarHBondContact O-CG1 3.19Å; E55-I59 PolarHBondContact O-N 2.96Å; R56-I59 PolarHBondContact O-N 3.27Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 3.05Å; I59-A62 PolarHBondContact O-N 2.72Å; I59-A62 VanDerWaalsContact O-N 3.17Å; I59-V63 HydrophobicContact CG2-CG2 4.22Å; I59-V63 WeakPolarHBondContact O-CG2 3.5Å; I59-V63 PolarHBondContact O-N 3.31Å; I59-V92 HydrophobicContact CD1-CG1 4.06Å; I59-V92 HydrophobicContact CG2-CG1 4.25Å; I59-M93 HydrophobicContact CD1-CG 3.91Å; I59-F96 HydrophobicContact CG2-CB 3.83Å; I59-F96 HydrophobicContact CG2-CD2 3.69Å; I59-F96 HydrophobicContact CG2-CE2 4.45Å; I59-F96 HydrophobicContact CG2-CG 3.79Å
60F98.9Very high98.6Very high86 Ų8651 Ų5138%0.37728%0.277SS..Hα-helixtrans-64-36.4-176.8-60.7-19.5000112R56 S64 V92 F96R56-F60 HydrophobicContact CB-CD2 4.15Å; R56-F60 HydrophobicContact CB-CE2 3.66Å; R56-F60 HydrophobicContact CB-CZ 3.93Å; R56-F60 HydrophobicContact CG-CE2 4.19Å; R56-F60 HydrophobicContact CG-CZ 4.01Å; R56-F60 VanDerWaalsContact O-CB 3.25Å; R56-F60 WeakPolarHBondContact O-CB 3.35Å; R56-F60 WeakPolarHBondContact O-CD2 3.46Å; R56-F60 WeakPolarHBondContact O-CG 3.17Å; R56-F60 PolarHBondContact O-N 3.08Å; F60-S64 VanDerWaalsContact O-CB 3.29Å; F60-S64 WeakPolarHBondContact O-CB 3.49Å; F60-S64 PolarHBondContact O-N 2.6Å; F60-S64 PolarHBondContact O-OG 2.89Å; F60-V92 HydrophobicContact CE1-CG1 3.63Å; F60-V92 HydrophobicContact CE1-CG2 4.49Å; F60-V92 HydrophobicContact CZ-CG1 4.08Å; F60-V92 HydrophobicContact CZ-CG2 4.25Å; F60-F96 HydrophobicContact CE1-CE2 4.15Å
61K98.8Very high98.6Very high104 Ų10447.4 Ų47.445%0.45226%0.262SS..Hα-helixtrans-62-51.2173-173.1-179.5174.4-178.30111.1Y38 T57 I59 V63 S64 E65Y38-K61 HydrophobicContact CD1-CB 4.5Å; Y38-K61 HydrophobicContact CD1-CD 4.22Å; Y38-K61 HydrophobicContact CD1-CG 4.03Å; T57-K61 VanDerWaalsContact O-CB 3.27Å; T57-K61 WeakPolarHBondContact O-CB 3.42Å; T57-K61 PolarHBondContact O-N 3.17Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 3.05Å; K61-V63 PolarHBondContact O-N 3.33Å; K61-S64 PolarHBondContact O-N 2.83Å; K61-S64 PolarHBondContact O-OG 2.88Å; K61-E65 WeakPolarHBondContact O-CG 3.38Å; K61-E65 PolarHBondContact O-N 2.87Å; K61-E65 VanDerWaalsContact O-N 3.14Å
62A98.8Very high98.6Very high0 Ų046.4 Ų46.40%026%0.255CS..Hα-helixtrans-58.9-46.6179.500000112.3L30 Y38 A58 I59 S64 E65 G66 E67 F70L30-A62 HydrophobicContact CD2-CB 3.79Å; Y38-A62 HydrophobicContact CD1-CB 3.89Å; Y38-A62 HydrophobicContact CD2-CB 3.58Å; Y38-A62 HydrophobicContact CE1-CB 4.14Å; Y38-A62 HydrophobicContact CE2-CB 3.86Å; Y38-A62 HydrophobicContact CG-CB 3.58Å; A58-A62 PolarHBondContact O-N 3.02Å; A58-A62 VanDerWaalsContact O-N 3.08Å; I59-A62 PolarHBondContact O-N 2.72Å; I59-A62 VanDerWaalsContact O-N 3.17Å; A62-S64 VanDerWaalsContact C-N 3.33Å; A62-S64 PolarHBondContact O-N 3.2Å; A62-E65 CarbonylContact O-C 3.56Å; A62-E65 PolarHBondContact O-N 3.02Å; A62-E65 VanDerWaalsContact O-N 3.11Å; A62-G66 PolarHBondContact O-N 3.35Å; A62-E67 HydrophobicContact CB-CB 4.08Å; A62-E67 HydrophobicContact CB-CG 4.17Å; A62-E67 VanDerWaalsContact O-CB 3.29Å; A62-E67 WeakPolarHBondContact O-CB 3.36Å; A62-E67 WeakPolarHBondContact O-CG 3.48Å; A62-E67 PolarHBondContact O-N 2.88Å; A62-F70 HydrophobicContact CB-CE1 3.73Å; A62-F70 HydrophobicContact CB-CZ 4.13Å
63V98.6Very high98.6Very high54 Ų5444.7 Ų44.733%0.32725%0.245SC..Hα-helixtrans-61.1-42177.6172.30000111.4I59 K61 E65 G66 F70 F96I59-V63 HydrophobicContact CG2-CG2 4.22Å; I59-V63 WeakPolarHBondContact O-CG2 3.5Å; I59-V63 PolarHBondContact O-N 3.31Å; K61-V63 PolarHBondContact O-N 3.33Å; V63-E65 PolarHBondContact O-N 3.01Å; V63-G66 PolarHBondContact O-N 2.94Å; V63-F70 HydrophobicContact CG2-CZ 4.18Å; V63-F96 HydrophobicContact CG1-CE1 4.35Å; V63-F96 HydrophobicContact CG2-CD1 3.83Å; V63-F96 HydrophobicContact CG2-CE1 4.08Å; V63-F96 HydrophobicContact CG2-CG 4.41Å
64S98.7Very high98.6Very high90 Ų9043.4 Ų43.463%0.62924%0.236SC*.Hα-helixtrans-64.3-24.4177.5730000113.6F60 K61 A62 G66F60-S64 VanDerWaalsContact O-CB 3.29Å; F60-S64 WeakPolarHBondContact O-CB 3.49Å; F60-S64 PolarHBondContact O-N 2.6Å; F60-S64 PolarHBondContact O-OG 2.89Å; K61-S64 PolarHBondContact O-N 2.83Å; K61-S64 PolarHBondContact O-OG 2.88Å; A62-S64 VanDerWaalsContact C-N 3.33Å; A62-S64 PolarHBondContact O-N 3.2Å; S64-G66 VanDerWaalsContact C-N 3.3Å
65E98.6Very high98.6Very high120 Ų12043.4 Ų43.456%0.56124%0.236SC*.THydrogen-bonded Turntrans-90.57.5176.3-64.2-73.7162.400112.4Y38 K61 A62 V63Y38-E65 HydrophobicContact CE1-CB 4Å; Y38-E65 HydrophobicContact CE1-CG 3.99Å; K61-E65 WeakPolarHBondContact O-CG 3.38Å; K61-E65 PolarHBondContact O-N 2.87Å; K61-E65 VanDerWaalsContact O-N 3.14Å; A62-E65 CarbonylContact O-C 3.56Å; A62-E65 PolarHBondContact O-N 3.02Å; A62-E65 VanDerWaalsContact O-N 3.11Å; V63-E65 PolarHBondContact O-N 3.01Å
66G98.4Very high98.6Very high54 Ų5443.1 Ų43.156%0.55724%0.236SC*.THydrogen-bonded Turntrans921.817500000115.3A62 V63 S64A62-G66 PolarHBondContact O-N 3.35Å; V63-G66 PolarHBondContact O-N 2.94Å; S64-G66 VanDerWaalsContact C-N 3.3Å
67E98.4Very high98.6Very high25 Ų2540.9 Ų40.912%0.11723%0.228CC..  trans-72.9138.5178.8-54.1-68.6177.400111.8T32 K36 Y38 A62 F70T32-E67 HydrophobicContact CG2-CB 4.18Å; T32-E67 HydrophobicContact CG2-CG 3.83Å; T32-E67 WeakPolarHBondContact CG2-OE2 3.4Å; K36-E67 WeakPolarHBondContact CD-OE1 3.44Å; K36-E67 IonicContact NZ-OE1 3.66Å; Y38-E67 HydrophobicContact CE2-CG 3.53Å; Y38-E67 WeakPolarHBondContact OH-CG 3.46Å; Y38-E67 PolarHBondContact OH-OE1 3.21Å; A62-E67 HydrophobicContact CB-CB 4.08Å; A62-E67 HydrophobicContact CB-CG 4.17Å; A62-E67 VanDerWaalsContact O-CB 3.29Å; A62-E67 WeakPolarHBondContact O-CB 3.36Å; A62-E67 WeakPolarHBondContact O-CG 3.48Å; A62-E67 PolarHBondContact O-N 2.88Å; E67-F70 HydrophobicContact CB-CE1 3.77Å; E67-F70 HydrophobicContact CB-CZ 4.15Å
68K97.1Very high98.5Very high186 Ų18644.3 Ų44.381%0.80924%0.242SC*.  trans-135.1-0.4179.1-60.4-173.4-179.4-175.10114.2
69A98.1Very high98.4Very high42 Ų4245.7 Ų45.735%0.34725%0.25SS..  trans-134.2112.3-173.800000110.2T32 K33T32-A69 CarbonylContact C-O 3.58Å; T32-A69 VanDerWaalsContact CA-O 3.3Å; T32-A69 WeakPolarHBondContact CA-O 3.41Å; K33-A69 HydrophobicContact CB-CB 4.23Å; K33-A69 HydrophobicContact CD-CB 3.98Å; K33-A69 HydrophobicContact CG-CB 3.95Å; K33-A69 PolarHBondContact N-O 2.75Å
70F98.7Very high98.3Very high8 Ų850.8 Ų50.84%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-111151.8-177.1-48.9-62.6000111.1L30 V31 T32 A62 V63 E67 F96 M101L30-F70 HydrophobicContact CD1-CB 4.01Å; L30-F70 HydrophobicContact CD1-CD1 4.05Å; L30-F70 HydrophobicContact CD1-CG 3.96Å; L30-F70 HydrophobicContact CD2-CD1 3.64Å; L30-F70 HydrophobicContact CD2-CE1 3.62Å; L30-F70 HydrophobicContact CD2-CG 4.15Å; L30-F70 HydrophobicContact CD2-CZ 4.1Å; L30-F70 HydrophobicContact CG-CD1 3.8Å; L30-F70 HydrophobicContact CG-CE1 4.27Å; L30-F70 HydrophobicContact CG-CG 4.24Å; V31-F70 CarbonylContact O-C 3.5Å; V31-F70 WeakPolarHBondContact O-CA 3.31Å; T32-F70 HydrophobicContact CG2-CD1 4.25Å; T32-F70 HydrophobicContact CG2-CE1 4.36Å; A62-F70 HydrophobicContact CB-CE1 3.73Å; A62-F70 HydrophobicContact CB-CZ 4.13Å; V63-F70 HydrophobicContact CG2-CZ 4.18Å; E67-F70 HydrophobicContact CB-CE1 3.77Å; E67-F70 HydrophobicContact CB-CZ 4.15Å; F70-F96 VanDerWaalsContact CD2-O 3.31Å; F70-F96 WeakPolarHBondContact CD2-O 3.48Å; F70-F96 HydrophobicContact CE2-CB 4.32Å; F70-F96 WeakPolarHBondContact CE2-O 3.48Å; F70-M101 HydrophobicContact CB-SD 3.53Å; F70-M101 VanDerWaalsContact CB-SD 3.53Å
71S98.4Very high98.2Very high43 Ų4353.2 Ų53.230%0.30130%0.296SS..EExtended strand (participates in β ladder)trans-118.6-28.8-177.559.60000112.9V31 T32 P102V31-S71 PolarHBondContact O-N 2.9Å; V31-S71 PolarHBondContact O-OG 3.17Å; T32-S71 PolarHBondContact O-OG 3.03Å; S71-P102 WeakPolarHBondContact O-CD 3.39Å
72H98.8Very high98.1Very high15 Ų1549.6 Ų49.67%0.06928%0.283CS..EExtended strand (participates in β ladder)trans-158.8148.9-178.3-146102.2000110.7W6 V31 P102 T104 E114W6-H72 HydrophobicContact CE3-CB 4.02Å; W6-H72 AromaticContact CE3-CG 3.89Å; W6-H72 HydrophobicContact CH2-CB 4.29Å; W6-H72 HydrophobicContact CZ3-CB 3.64Å; W6-H72 AromaticContact CZ3-CG 3.57Å; W6-H72 AromaticContact CZ3-ND1 3.68Å; V31-H72 HydrophobicContact CB-CB 4.14Å; V31-H72 HydrophobicContact CG2-CB 4.13Å; V31-H72 PolarHBondContact N-O 2.85Å; V31-H72 PolarHBondContact O-N 3.08Å; H72-P102 WeakPolarHBondContact CA-O 3.5Å; H72-P102 VanDerWaalsContact CE1-CG 3.49Å; H72-P102 WeakPolarHBondContact CE1-CG 3.4Å; H72-P102 WeakPolarHBondContact ND1-CG 3.4Å; H72-T104 PolarHBondContact NE2-OG1 3.13Å; H72-E114 IonicContact CE1-OE2 3.31Å; H72-E114 PolarHBondContact CE1-OE2 2.86Å; H72-E114 VanDerWaalsContact CE1-OE2 3.31Å; H72-E114 IonicContact NE2-OE2 3.66Å
73L98.9Very high98.1Very high0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-125.1135.2165.417665.6000109.9A28 L30 E55 V75 M93 M101 P102 V103 T104A28-L73 HydrophobicContact CB-CD1 4.38Å; L30-L73 HydrophobicContact CB-CD1 4.06Å; L30-L73 HydrophobicContact CD1-CB 4.21Å; L30-L73 HydrophobicContact CD1-CD1 4.11Å; E55-L73 HydrophobicContact CB-CD2 4.4Å; L73-V75 HydrophobicContact CD2-CG2 4.01Å; L73-V75 HydrophobicContact CG-CG2 3.98Å; L73-M93 HydrophobicContact CD2-CG 4.08Å; L73-M93 HydrophobicContact CD2-SD 3.44Å; L73-M93 WeakPolarHBondContact CD2-SD 3.42Å; L73-M101 HydrophobicContact CB-CE 3.81Å; L73-P102 PolarHBondContact N-O 2.87Å; L73-P102 VanDerWaalsContact N-O 3.08Å; L73-V103 HydrophobicContact CB-CG1 4.33Å; L73-V103 HydrophobicContact CB-CG2 4.36Å; L73-V103 HydrophobicContact CD2-CG1 4.2Å; L73-V103 HydrophobicContact CG-CG1 4.33Å; L73-V103 CarbonylContact O-C 3.58Å; L73-V103 VanDerWaalsContact O-CA 3.26Å; L73-V103 WeakPolarHBondContact O-CA 3.2Å; L73-T104 PolarHBondContact O-N 3.2Å
74V98.9Very high98.1Very high0 Ų051.4 Ų51.40%030%0.297CS..EExtended strand (participates in β ladder)trans-112.3136.1168.1-171.30000109.2W6 I7 A10 A28 C29 T104 V106W6-V74 HydrophobicContact CB-CG2 3.72Å; I7-V74 HydrophobicContact CG1-CG1 3.97Å; A10-V74 HydrophobicContact CB-CB 4.05Å; A10-V74 HydrophobicContact CB-CG1 3.78Å; A28-V74 CarbonylContact C-O 3.55Å; A28-V74 WeakPolarHBondContact CA-O 3.5Å; C29-V74 HydrophobicContact CB-CB 4.33Å; C29-V74 PolarHBondContact N-O 3.05Å; C29-V74 PolarHBondContact O-N 3.33Å; V74-T104 CarbonylContact C-O 3.5Å; V74-T104 VanDerWaalsContact CA-O 3.31Å; V74-T104 WeakPolarHBondContact CA-O 3.07Å; V74-T104 HydrophobicContact CG1-CG2 4.45Å; V74-V106 HydrophobicContact CG1-CG2 3.73Å
75V98.9Very high98.1Very high0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-128.3129.7175.5-168.90000108.7V26 G27 E55 L73 I83 V103 T104 L105 V106V26-V75 HydrophobicContact CG1-CG1 4Å; G27-V75 WeakPolarHBondContact O-CA 3.38Å; E55-V75 HydrophobicContact CG-CG1 4Å; E55-V75 HydrophobicContact CG-CG2 3.64Å; L73-V75 HydrophobicContact CD2-CG2 4.01Å; L73-V75 HydrophobicContact CG-CG2 3.98Å; V75-I83 HydrophobicContact CB-CG2 4.12Å; V75-I83 HydrophobicContact CG1-CD1 4.49Å; V75-I83 HydrophobicContact CG1-CG2 3.82Å; V75-I83 WeakPolarHBondContact O-CG2 3.33Å; V75-V103 HydrophobicContact CG2-CG1 4.39Å; V75-T104 PolarHBondContact N-O 3.28Å; V75-L105 HydrophobicContact CB-CD2 4.29Å; V75-L105 HydrophobicContact CG2-CD2 4.48Å; V75-L105 CarbonylContact O-C 3.19Å; V75-V106 PolarHBondContact O-N 3.19Å
76A98.7Very high98.1Very high2 Ų244.2 Ų44.22%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-127150.2-178.200000111.2A10 V11 L14 V26 G27 V106A10-A76 HydrophobicContact CB-CB 4.09Å; V11-A76 HydrophobicContact CG2-CB 4.1Å; L14-A76 WeakPolarHBondContact CD2-O 3.09Å; V26-A76 WeakPolarHBondContact CA-O 3.45Å; V26-A76 WeakPolarHBondContact CG1-O 3.3Å; G27-A76 PolarHBondContact N-O 2.76Å; G27-A76 PolarHBondContact O-N 2.67Å; A76-V106 HydrophobicContact CB-CB 4Å; A76-V106 HydrophobicContact CB-CG1 4.49Å
77G98.3Very high98Very high3 Ų344.2 Ų44.23%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-166.4174.916800000111.8T79 V106G77-T79 PolarHBondContact O-N 2.86Å; G77-T79 VanDerWaalsContact O-N 3.15Å; G77-V106 PolarHBondContact N-O 3.2Å
78H97.1Very high98Very high98 Ų9845.7 Ų45.745%0.45428%0.276SS..SBendtrans-86.679.9178.9-68.3-52.6000111.5D108H78-D108 WeakPolarHBondContact CA-OD1 3.5Å; H78-D108 IonicContact CE1-OD1 3.94Å; H78-D108 IonicContact CG-OD1 3.68Å; H78-D108 IonicContact ND1-OD1 2.86Å; H78-D108 PolarHBondContact ND1-OD1 2.84Å
79T97.2Very high98.1Very high29 Ų2936.8 Ų36.818%0.17824%0.237CC..  trans-132.6142.517751.30000111.1F24 G77 E81 G107 D108F24-T79 HydrophobicContact CE2-CG2 3.88Å; F24-T79 HydrophobicContact CZ-CG2 3.61Å; G77-T79 PolarHBondContact O-N 2.86Å; G77-T79 VanDerWaalsContact O-N 3.15Å; T79-E81 CarbonylContact C-O 3.52Å; T79-E81 VanDerWaalsContact CB-O 3.29Å; T79-E81 WeakPolarHBondContact CB-O 3.39Å; T79-E81 PolarHBondContact O-N 2.88Å; T79-E81 PolarHBondContact OG1-O 3.11Å; T79-G107 CarbonylContact O-C 3.56Å; T79-G107 WeakPolarHBondContact O-CA 3.4Å; T79-D108 PolarHBondContact N-OD2 2.83Å; T79-D108 PolarHBondContact O-N 3.02Å
80P96.2Very high98.1Very high107 Ų10737.8 Ų37.870%0.69523%0.232SC*.SBendtrans-60.4-32.4178.4-24.333.3000113.9V111P80-V111 WeakPolarHBondContact O-CG2 3.28Å
81E96.8Very high98.1Very high138 Ų13840.7 Ų40.765%0.64525%0.246SC*.SBendtrans-104.8161.3173.3-65.6-59.6144.800109.8T79 I83T79-E81 CarbonylContact C-O 3.52Å; T79-E81 VanDerWaalsContact CB-O 3.29Å; T79-E81 WeakPolarHBondContact CB-O 3.39Å; T79-E81 PolarHBondContact O-N 2.88Å; T79-E81 PolarHBondContact OG1-O 3.11Å; E81-I83 PolarHBondContact O-N 3.27Å
82P97.7Very high98.1Very high28 Ų2839.9 Ų39.918%0.18224%0.239CC..PPolyproline II helixtrans-50.7128.6174.1-29.137.8000112.1S84 L105 V111 K113P82-S84 PolarHBondContact O-N 3.22Å; P82-L105 HydrophobicContact CB-CB 3.81Å; P82-V111 HydrophobicContact CG-CB 4.35Å; P82-V111 HydrophobicContact CG-CG2 4.09Å; P82-K113 HydrophobicContact CB-CB 3.79Å; P82-K113 HydrophobicContact CG-CB 3.78Å
83I98.3Very high98.1Very high12 Ų1239.2 Ų39.26%0.06224%0.236CC..PPolyproline II helixtrans-55.8139-174.9-167-179.5000111.5F24 V26 V75 E81 L105 V106F24-I83 HydrophobicContact CE1-CD1 4.25Å; F24-I83 HydrophobicContact CZ-CD1 4.47Å; V26-I83 HydrophobicContact CB-CD1 4.43Å; V26-I83 HydrophobicContact CG1-CD1 3.73Å; V26-I83 HydrophobicContact CG2-CD1 3.89Å; V75-I83 HydrophobicContact CB-CG2 4.12Å; V75-I83 HydrophobicContact CG1-CD1 4.49Å; V75-I83 HydrophobicContact CG1-CG2 3.82Å; V75-I83 WeakPolarHBondContact O-CG2 3.33Å; E81-I83 PolarHBondContact O-N 3.27Å; I83-L105 WeakPolarHBondContact O-CB 3.49Å; I83-L105 WeakPolarHBondContact O-CD1 3.35Å; I83-L105 WeakPolarHBondContact O-CD2 3.21Å; I83-V106 WeakPolarHBondContact CG2-O 3.18Å
84S97.9Very high98.1Very high80 Ų8040.3 Ų40.356%0.55925%0.245SC*.PPolyproline II helixtrans-99.8119.1177.8-1780000110.8P82 R90P82-S84 PolarHBondContact O-N 3.22Å; S84-R90 PolarHBondContact OG-NH2 3.47Å
85P98.5Very high98Very high2 Ų245.5 Ų45.51%0.01327%0.269CS..PPolyproline II helixtrans-60.1139.3173.1-25.136000111.1E55 C89 R90 M93 L105E55-P85 WeakPolarHBondContact OE1-CA 3.46Å; E55-P85 WeakPolarHBondContact OE1-CB 3.23Å; P85-C89 HydrophobicContact CB-CB 4.44Å; P85-R90 HydrophobicContact CB-CG 4.04Å; P85-R90 PolarHBondContact O-NE 3.36Å; P85-R90 PolarHBondContact O-NH2 3.02Å; P85-M93 HydrophobicContact CB-CE 3.58Å; P85-M93 HydrophobicContact CG-CE 3.99Å; P85-L105 HydrophobicContact CG-CD2 3.64Å
86C98.4Very high97.9Very high57 Ų5749.1 Ų49.139%0.38529%0.285SS..PPolyproline II helixtrans-71.2158.7177.879.50000111.3A88 C89 R90C86-A88 PolarHBondContact O-N 3.15Å; C86-A88 VanDerWaalsContact O-N 3.17Å; C86-C89 PolarHBondContact O-N 3.28Å; C86-R90 WeakPolarHBondContact O-CG 3.35Å; C86-R90 PolarHBondContact O-N 3.47Å
87G97.8Very high97.9Very high53 Ų5349.5 Ų49.555%0.54629%0.288SS..Hα-helixtrans-54.7-38.4-176.700000113.9C89 R90 Q91G87-C89 PolarHBondContact O-N 2.8Å; G87-R90 PolarHBondContact O-N 2.67Å; G87-Q91 PolarHBondContact O-N 2.93Å
88A98.4Very high97.9Very high56 Ų5653.3 Ų53.346%0.46331%0.307SS..Hα-helixtrans-64.3-40176.800000112.7C86 Q91 V92C86-A88 PolarHBondContact O-N 3.15Å; C86-A88 VanDerWaalsContact O-N 3.17Å; A88-Q91 PolarHBondContact O-N 3.35Å; A88-V92 WeakPolarHBondContact O-CG2 3.36Å; A88-V92 PolarHBondContact O-N 3.27Å; A88-V92 VanDerWaalsContact O-N 3.14Å
89C98.8Very high97.9Very high0 Ų052 Ų520%031%0.307CS..Hα-helixtrans-66.9-39.9175.3-70.70000111.8C53 E55 P85 C86 G87 Q91 V92 M93C53-C89 WeakPolarHBondContact CB-SG 3.47Å; E55-C89 HydrophobicContact CB-CB 4.17Å; E55-C89 HydrophobicContact CG-CB 4.28Å; E55-C89 WeakPolarHBondContact OE1-CB 3.5Å; E55-C89 PolarHBondContact OE1-SG 3.09Å; E55-C89 PolarHBondContact OE2-SG 3.06Å; P85-C89 HydrophobicContact CB-CB 4.44Å; C86-C89 PolarHBondContact O-N 3.28Å; G87-C89 PolarHBondContact O-N 2.8Å; C89-Q91 VanDerWaalsContact C-N 3.32Å; C89-Q91 PolarHBondContact O-N 2.87Å; C89-V92 PolarHBondContact O-N 3.3Å; C89-M93 HydrophobicContact CB-CE 4.07Å; C89-M93 WeakPolarHBondContact O-CE 3.11Å; C89-M93 WeakPolarHBondContact O-CG 3.37Å; C89-M93 PolarHBondContact O-N 2.87Å
90R98.6Very high97.9Very high62 Ų6253.8 Ų53.823%0.23433%0.325CS..Hα-helixtrans-61.1-41.2176.4-61.3177.3-173-155.24.8112.1S84 P85 C86 G87 M93 A94 L120 L121S84-R90 PolarHBondContact OG-NH2 3.47Å; P85-R90 HydrophobicContact CB-CG 4.04Å; P85-R90 PolarHBondContact O-NE 3.36Å; P85-R90 PolarHBondContact O-NH2 3.02Å; C86-R90 WeakPolarHBondContact O-CG 3.35Å; C86-R90 PolarHBondContact O-N 3.47Å; G87-R90 PolarHBondContact O-N 2.67Å; R90-M93 HydrophobicContact CG-CE 4.16Å; R90-M93 WeakPolarHBondContact O-CB 3.29Å; R90-M93 PolarHBondContact O-N 3.09Å; R90-A94 PolarHBondContact O-N 3.45Å; R90-L120 WeakPolarHBondContact CD-O 3.13Å; R90-L120 HydrophobicContact CG-CB 4.41Å; R90-L120 PolarHBondContact NH1-O 3.03Å; R90-L121 HydrophobicContact CB-CB 4.08Å; R90-L121 HydrophobicContact CB-CD2 3.97Å; R90-L121 HydrophobicContact CB-CG 4.48Å
91Q98.5Very high98Very high70 Ų7049 Ų4933%0.32729%0.293SS..Hα-helixtrans-64.7-39.8175.3-172.46456.600112.1G87 A88 C89 A94 E95 L121 F125G87-Q91 PolarHBondContact O-N 2.93Å; A88-Q91 PolarHBondContact O-N 3.35Å; C89-Q91 VanDerWaalsContact C-N 3.32Å; C89-Q91 PolarHBondContact O-N 2.87Å; Q91-A94 PolarHBondContact O-N 2.78Å; Q91-E95 PolarHBondContact O-N 3.14Å; Q91-L121 HydrophobicContact CB-CD2 4.23Å; Q91-F125 PolarHBondContact NE2-O 3.25Å
92V98.6Very high98.1Very high25 Ų2544 Ų4415%0.15227%0.273CS..Hα-helixtrans-65.6-41.3174.9171.90000111.2R56 I59 F60 A88 C89 A94 E95 F96R56-V92 HydrophobicContact CG-CB 4.19Å; R56-V92 HydrophobicContact CG-CG1 4.17Å; R56-V92 HydrophobicContact CG-CG2 4.03Å; I59-V92 HydrophobicContact CD1-CG1 4.06Å; I59-V92 HydrophobicContact CG2-CG1 4.25Å; F60-V92 HydrophobicContact CE1-CG1 3.63Å; F60-V92 HydrophobicContact CE1-CG2 4.49Å; F60-V92 HydrophobicContact CZ-CG1 4.08Å; F60-V92 HydrophobicContact CZ-CG2 4.25Å; A88-V92 WeakPolarHBondContact O-CG2 3.36Å; A88-V92 PolarHBondContact O-N 3.27Å; A88-V92 VanDerWaalsContact O-N 3.14Å; C89-V92 PolarHBondContact O-N 3.3Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.06Å; V92-E95 PolarHBondContact O-N 3.06Å; V92-F96 HydrophobicContact CG1-CD2 3.75Å; V92-F96 HydrophobicContact CG1-CE2 4.02Å; V92-F96 VanDerWaalsContact O-CD2 3.28Å; V92-F96 WeakPolarHBondContact O-CD2 3.05Å; V92-F96 PolarHBondContact O-N 3.14Å
93M98.4Very high98.2Very high1 Ų142.7 Ų42.71%0.00526%0.264CS..Hα-helixtrans-58.9-44.4173.4-72.7-178.1-97.700111.4E55 I59 L73 P85 C89 R90 E95 F96 C97 V103 V117 L120E55-M93 HydrophobicContact CG-CE 4.5Å; I59-M93 HydrophobicContact CD1-CG 3.91Å; L73-M93 HydrophobicContact CD2-CG 4.08Å; L73-M93 HydrophobicContact CD2-SD 3.44Å; L73-M93 WeakPolarHBondContact CD2-SD 3.42Å; P85-M93 HydrophobicContact CB-CE 3.58Å; P85-M93 HydrophobicContact CG-CE 3.99Å; C89-M93 HydrophobicContact CB-CE 4.07Å; C89-M93 WeakPolarHBondContact O-CE 3.11Å; C89-M93 WeakPolarHBondContact O-CG 3.37Å; C89-M93 PolarHBondContact O-N 2.87Å; R90-M93 HydrophobicContact CG-CE 4.16Å; R90-M93 WeakPolarHBondContact O-CB 3.29Å; R90-M93 PolarHBondContact O-N 3.09Å; M93-E95 PolarHBondContact O-N 3.33Å; M93-F96 PolarHBondContact O-N 3.34Å; M93-C97 WeakPolarHBondContact O-CA 3.31Å; M93-C97 WeakPolarHBondContact O-CB 3.4Å; M93-C97 PolarHBondContact O-N 3.22Å; M93-V103 HydrophobicContact SD-CG2 4.27Å; M93-V117 HydrophobicContact CB-CG1 4.12Å; M93-V117 HydrophobicContact CB-CG2 4.44Å; M93-L120 HydrophobicContact CE-CD1 4.48Å; M93-L120 HydrophobicContact SD-CD1 4.35Å
94A97.6Very high98.2Very high24 Ų2442.1 Ų42.120%0.19826%0.261CS..Hα-helixtrans-62.3-28.6179.500000113.9R90 Q91 V92 V117 L121 T124R90-A94 PolarHBondContact O-N 3.45Å; Q91-A94 PolarHBondContact O-N 2.78Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 3.06Å; A94-V117 HydrophobicContact CB-CG1 4.42Å; A94-L121 HydrophobicContact CB-CD2 4.46Å; A94-T124 HydrophobicContact CB-CG2 3.88Å; A94-T124 WeakPolarHBondContact CB-OG1 3.29Å
95E97.3Very high98.2Very high109 Ų10938.7 Ų38.751%0.50924%0.237SC..Hα-helixtrans-75.4-46.6175.6178.663.8-160.600112.1Q91 V92 M93Q91-E95 PolarHBondContact O-N 3.14Å; V92-E95 PolarHBondContact O-N 3.06Å; M93-E95 PolarHBondContact O-N 3.33Å
96F97.8Very high98.2Very high76 Ų7638.9 Ų38.933%0.33324%0.238SC..Hα-helixtrans-99.3-14.1-167.6-68.6-72.3000114.7I59 F60 V63 F70 V92 M93I59-F96 HydrophobicContact CG2-CB 3.83Å; I59-F96 HydrophobicContact CG2-CD2 3.69Å; I59-F96 HydrophobicContact CG2-CE2 4.45Å; I59-F96 HydrophobicContact CG2-CG 3.79Å; F60-F96 HydrophobicContact CE1-CE2 4.15Å; V63-F96 HydrophobicContact CG1-CE1 4.35Å; V63-F96 HydrophobicContact CG2-CD1 3.83Å; V63-F96 HydrophobicContact CG2-CE1 4.08Å; V63-F96 HydrophobicContact CG2-CG 4.41Å; F70-F96 VanDerWaalsContact CD2-O 3.31Å; F70-F96 WeakPolarHBondContact CD2-O 3.48Å; F70-F96 HydrophobicContact CE2-CB 4.32Å; F70-F96 WeakPolarHBondContact CE2-O 3.48Å; V92-F96 HydrophobicContact CG1-CD2 3.75Å; V92-F96 HydrophobicContact CG1-CE2 4.02Å; V92-F96 VanDerWaalsContact O-CD2 3.28Å; V92-F96 WeakPolarHBondContact O-CD2 3.05Å; V92-F96 PolarHBondContact O-N 3.14Å; M93-F96 PolarHBondContact O-N 3.34Å
97C97.9Very high98.2Very high10 Ų1036.5 Ų36.57%0.06822%0.223CC..SBendtrans-118.7151.1-172.4-55.60000111.7M93 M101 V117M93-C97 WeakPolarHBondContact O-CA 3.31Å; M93-C97 WeakPolarHBondContact O-CB 3.4Å; M93-C97 PolarHBondContact O-N 3.22Å; C97-M101 HydrophobicContact CB-CB 4.47Å; C97-M101 HydrophobicContact CB-CE 3.61Å; C97-M101 HydrophobicContact CB-SD 3.81Å; C97-M101 VanDerWaalsContact SG-CE 3.55Å; C97-V117 HydrophobicContact CB-CG2 3.89Å
98D97.4Very high98.1Very high83 Ų8336.3 Ų36.344%0.44421%0.21SC..  trans-60.4136.1172.9-170-70.3000109.6A100 M101D98-A100 PolarHBondContact O-N 3.27Å; D98-A100 VanDerWaalsContact O-N 3.15Å; D98-A100 WeakPolarHBondContact OD1-CB 3.47Å; D98-A100 PolarHBondContact OD1-N 2.87Å; D98-M101 HydrophobicContact CB-CB 4.22Å; D98-M101 WeakPolarHBondContact O-CB 3.09Å; D98-M101 PolarHBondContact O-N 3.48Å
99P97.4Very high97.9Very high69 Ų6941.8 Ų41.845%0.44823%0.231SC..THydrogen-bonded Turntrans-55-32.8178.6-2734.9000113.4M101 T116 V117 E118P99-M101 VanDerWaalsContact C-N 3.31Å; P99-T116 WeakPolarHBondContact O-CB 3.36Å; P99-V117 PolarHBondContact O-N 2.8Å; P99-E118 HydrophobicContact CB-CB 4.03Å; P99-E118 WeakPolarHBondContact O-CB 3.46Å; P99-E118 PolarHBondContact O-N 3.05Å
100A98.1Very high97.5Very high67 Ų6744.6 Ų44.655%0.55426%0.26SS*.THydrogen-bonded Turntrans-84.6-1.5177.100000113.4D98 P102D98-A100 PolarHBondContact O-N 3.27Å; D98-A100 VanDerWaalsContact O-N 3.15Å; D98-A100 WeakPolarHBondContact OD1-CB 3.47Å; D98-A100 PolarHBondContact OD1-N 2.87Å; A100-P102 WeakPolarHBondContact O-CD 3.33Å
101M98.5Very high97.4Very high6 Ų644.1 Ų44.13%0.0326%0.264CS..  trans-63.2127.1179.5-170.4-170.877.100109.9F70 L73 C97 D98 P99 V103 T116 V117F70-M101 HydrophobicContact CB-SD 3.53Å; F70-M101 VanDerWaalsContact CB-SD 3.53Å; L73-M101 HydrophobicContact CB-CE 3.81Å; C97-M101 HydrophobicContact CB-CB 4.47Å; C97-M101 HydrophobicContact CB-CE 3.61Å; C97-M101 HydrophobicContact CB-SD 3.81Å; C97-M101 VanDerWaalsContact SG-CE 3.55Å; D98-M101 HydrophobicContact CB-CB 4.22Å; D98-M101 WeakPolarHBondContact O-CB 3.09Å; D98-M101 PolarHBondContact O-N 3.48Å; P99-M101 VanDerWaalsContact C-N 3.31Å; M101-V103 HydrophobicContact CE-CG2 4.3Å; M101-T116 CarbonylContact O-C 3.58Å; M101-T116 WeakPolarHBondContact O-CA 3.42Å; M101-V117 HydrophobicContact CB-CG2 4.04Å; M101-V117 HydrophobicContact CE-CG2 3.87Å; M101-V117 PolarHBondContact O-N 3.32Å
102P98.6Very high97.4Very high34 Ų3444.5 Ų44.522%0.22127%0.271CS..EExtended strand (participates in β ladder)trans-70.2142.6175.728.2-36.6000112.7S71 H72 L73 A100 E114 M115S71-P102 WeakPolarHBondContact O-CD 3.39Å; H72-P102 WeakPolarHBondContact CA-O 3.5Å; H72-P102 VanDerWaalsContact CE1-CG 3.49Å; H72-P102 WeakPolarHBondContact CE1-CG 3.4Å; H72-P102 WeakPolarHBondContact ND1-CG 3.4Å; L73-P102 PolarHBondContact N-O 2.87Å; L73-P102 VanDerWaalsContact N-O 3.08Å; A100-P102 WeakPolarHBondContact O-CD 3.33Å; P102-E114 HydrophobicContact CB-CG 4.17Å; P102-M115 CarbonylContact C-O 3.51Å; P102-M115 WeakPolarHBondContact CA-O 3.44Å
103V98.9Very high97.4Very high0 Ų048.7 Ų48.70%029%0.287CS..EExtended strand (participates in β ladder)trans-125.5116.6174.6-173.90000108.1L73 V75 M93 M101 L105 E114 M115 V117 L120L73-V103 HydrophobicContact CB-CG1 4.33Å; L73-V103 HydrophobicContact CB-CG2 4.36Å; L73-V103 HydrophobicContact CD2-CG1 4.2Å; L73-V103 HydrophobicContact CG-CG1 4.33Å; L73-V103 CarbonylContact O-C 3.58Å; L73-V103 VanDerWaalsContact O-CA 3.26Å; L73-V103 WeakPolarHBondContact O-CA 3.2Å; V75-V103 HydrophobicContact CG2-CG1 4.39Å; M93-V103 HydrophobicContact SD-CG2 4.27Å; M101-V103 HydrophobicContact CE-CG2 4.3Å; V103-L105 HydrophobicContact CG1-CD2 3.87Å; V103-E114 WeakPolarHBondContact O-CA 3.36Å; V103-M115 PolarHBondContact N-O 3.41Å; V103-M115 PolarHBondContact O-N 2.5Å; V103-V117 HydrophobicContact CG2-CG2 3.91Å; V103-L120 HydrophobicContact CB-CD1 3.76Å; V103-L120 HydrophobicContact CG1-CD1 3.88Å; V103-L120 HydrophobicContact CG2-CD1 3.75Å
104T98.8Very high97.4Very high0 Ų053.6 Ų53.60%031%0.31CS..EExtended strand (participates in β ladder)trans-96.4119.2174.9-62.30000110.2K3 I7 H72 L73 V74 V75 V106 E114K3-T104 WeakPolarHBondContact CE-OG1 3.42Å; K3-T104 PolarHBondContact NZ-OG1 2.87Å; K3-T104 VanDerWaalsContact NZ-OG1 3.14Å; I7-T104 HydrophobicContact CD1-CG2 4.42Å; H72-T104 PolarHBondContact NE2-OG1 3.13Å; L73-T104 PolarHBondContact O-N 3.2Å; V74-T104 CarbonylContact C-O 3.5Å; V74-T104 VanDerWaalsContact CA-O 3.31Å; V74-T104 WeakPolarHBondContact CA-O 3.07Å; V74-T104 HydrophobicContact CG1-CG2 4.45Å; V75-T104 PolarHBondContact N-O 3.28Å; T104-V106 HydrophobicContact CG2-CG2 4.12Å; T104-E114 PolarHBondContact OG1-OE2 2.88Å
105L98.8Very high97.4Very high8 Ų854.1 Ų54.14%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-96.9131177.1-52.6178000108.5V75 P82 I83 P85 V103 T112 K113 M115 L120V75-L105 HydrophobicContact CB-CD2 4.29Å; V75-L105 HydrophobicContact CG2-CD2 4.48Å; V75-L105 CarbonylContact O-C 3.19Å; P82-L105 HydrophobicContact CB-CB 3.81Å; I83-L105 WeakPolarHBondContact O-CB 3.49Å; I83-L105 WeakPolarHBondContact O-CD1 3.35Å; I83-L105 WeakPolarHBondContact O-CD2 3.21Å; P85-L105 HydrophobicContact CG-CD2 3.64Å; V103-L105 HydrophobicContact CG1-CD2 3.87Å; L105-T112 CarbonylContact O-C 3.49Å; L105-T112 WeakPolarHBondContact O-CA 3.45Å; L105-K113 WeakPolarHBondContact CB-O 3.36Å; L105-K113 PolarHBondContact N-O 3.23Å; L105-K113 PolarHBondContact O-N 2.82Å; L105-M115 HydrophobicContact CD1-SD 4.5Å; L105-L120 HydrophobicContact CD1-CD2 4.36Å
106V98.7Very high97.5Very high7 Ų750.6 Ų50.64%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-124.5129.1-175-172.40000108.8I7 V11 V74 V75 A76 G77 I83 T104 T112I7-V106 HydrophobicContact CG1-CG2 4.2Å; I7-V106 HydrophobicContact CG2-CG1 4.31Å; I7-V106 HydrophobicContact CG2-CG2 4.2Å; V11-V106 HydrophobicContact CG2-CG1 4.49Å; V74-V106 HydrophobicContact CG1-CG2 3.73Å; V75-V106 PolarHBondContact O-N 3.19Å; A76-V106 HydrophobicContact CB-CB 4Å; A76-V106 HydrophobicContact CB-CG1 4.49Å; G77-V106 PolarHBondContact N-O 3.2Å; I83-V106 WeakPolarHBondContact CG2-O 3.18Å; T104-V106 HydrophobicContact CG2-CG2 4.12Å; V106-T112 HydrophobicContact CG1-CG2 4.3Å; V106-T112 HydrophobicContact CG2-CG2 4.13Å
107G98.1Very high97.5Very high7 Ų747.2 Ų47.27%0.07228%0.281CS..  trans-111.9-165.5169.800000111.4T79 V111T79-G107 CarbonylContact O-C 3.56Å; T79-G107 WeakPolarHBondContact O-CA 3.4Å; G107-V111 PolarHBondContact N-O 2.97Å
108D96Very high97.5Very high49 Ų4952.6 Ų52.626%0.26231%0.305SS..G310 helixtrans-68.2159.1178-69.5-41.4000112.2H78 T79 G110 V111H78-D108 WeakPolarHBondContact CA-OD1 3.5Å; H78-D108 IonicContact CE1-OD1 3.94Å; H78-D108 IonicContact CG-OD1 3.68Å; H78-D108 IonicContact ND1-OD1 2.86Å; H78-D108 PolarHBondContact ND1-OD1 2.84Å; T79-D108 PolarHBondContact N-OD2 2.83Å; T79-D108 PolarHBondContact O-N 3.02Å; D108-G110 PolarHBondContact O-N 3.22Å; D108-V111 WeakPolarHBondContact O-CG2 3.4Å; D108-V111 PolarHBondContact O-N 3.35Å
109N93.6Very high97.5Very high171 Ų17154.1 Ų54.191%0.91431%0.309SS*.G310 helixtrans56.423.5177.4-51.3-55.1000114.5V111N109-V111 VanDerWaalsContact C-N 3.32Å; N109-V111 PolarHBondContact O-N 3.05Å
110G88.9Confident97.6Very high59 Ų5951 Ų5161%0.60829%0.289SS*.G310 helixtrans75.514.6177.200000114.7D108 T112D108-G110 PolarHBondContact O-N 3.22Å; G110-T112 PolarHBondContact O-N 2.86Å
111V97.1Very high97.6Very high52 Ų5250 Ų5032%0.31527%0.273SS..  trans-64.7130.6171.4-60.40000109.4P80 P82 G107 D108 N109P80-V111 WeakPolarHBondContact O-CG2 3.28Å; P82-V111 HydrophobicContact CG-CB 4.35Å; P82-V111 HydrophobicContact CG-CG2 4.09Å; G107-V111 PolarHBondContact N-O 2.97Å; D108-V111 WeakPolarHBondContact O-CG2 3.4Å; D108-V111 PolarHBondContact O-N 3.35Å; N109-V111 VanDerWaalsContact C-N 3.32Å; N109-V111 PolarHBondContact O-N 3.05Å
112T98.1Very high97.5Very high77 Ų7753.4 Ų53.447%0.47230%0.296SS..EExtended strand (participates in β ladder)trans-134151-179.860.30000111.7L105 V106 G110L105-T112 CarbonylContact O-C 3.49Å; L105-T112 WeakPolarHBondContact O-CA 3.45Å; V106-T112 HydrophobicContact CG1-CG2 4.3Å; V106-T112 HydrophobicContact CG2-CG2 4.13Å; G110-T112 PolarHBondContact O-N 2.86Å
113K98.4Very high97.2Very high114 Ų11463.1 Ų63.150%0.49633%0.33SS..EExtended strand (participates in β ladder)trans-137.9133.1169.2-177.7175-176.3-177.30109.1P82 L105 M115P82-K113 HydrophobicContact CB-CB 3.79Å; P82-K113 HydrophobicContact CG-CB 3.78Å; L105-K113 WeakPolarHBondContact CB-O 3.36Å; L105-K113 PolarHBondContact N-O 3.23Å; L105-K113 PolarHBondContact O-N 2.82Å; K113-M115 HydrophobicContact CD-CG 4.37Å; K113-M115 HydrophobicContact CD-SD 4.2Å; K113-M115 HydrophobicContact CG-CG 4.22Å
114E98.6Very high97Very high103 Ų10364.8 Ų64.848%0.48134%0.34SS..EExtended strand (participates in β ladder)trans-103.3138.8170.7-171.3165.687.800109.7K3 H72 P102 V103 T104K3-E114 IonicContact NZ-OE2 2.6Å; K3-E114 PolarHBondContact NZ-OE2 3.39Å; H72-E114 IonicContact CE1-OE2 3.31Å; H72-E114 PolarHBondContact CE1-OE2 2.86Å; H72-E114 VanDerWaalsContact CE1-OE2 3.31Å; H72-E114 IonicContact NE2-OE2 3.66Å; P102-E114 HydrophobicContact CB-CG 4.17Å; V103-E114 WeakPolarHBondContact O-CA 3.36Å; T104-E114 PolarHBondContact OG1-OE2 2.88Å
115M98.4Very high96.7Very high36 Ų3670.2 Ų70.218%0.17736%0.364CS..EExtended strand (participates in β ladder)trans-142166.2172.8-63.1-174.864.200108.2P102 V103 L105 K113 E119 L120P102-M115 CarbonylContact C-O 3.51Å; P102-M115 WeakPolarHBondContact CA-O 3.44Å; V103-M115 PolarHBondContact N-O 3.41Å; V103-M115 PolarHBondContact O-N 2.5Å; L105-M115 HydrophobicContact CD1-SD 4.5Å; K113-M115 HydrophobicContact CD-CG 4.37Å; K113-M115 HydrophobicContact CD-SD 4.2Å; K113-M115 HydrophobicContact CG-CG 4.22Å; M115-E119 VanDerWaalsContact CA-OE2 3.23Å; M115-E119 WeakPolarHBondContact CA-OE2 3.23Å; M115-E119 HydrophobicContact CB-CB 4.28Å; M115-E119 HydrophobicContact CE-CB 3.7Å; M115-E119 WeakPolarHBondContact CE-O 3.21Å; M115-L120 HydrophobicContact CB-CD2 4.35Å; M115-L120 HydrophobicContact CB-CG 4.18Å; M115-L120 HydrophobicContact CE-CD2 4.25Å; M115-L120 HydrophobicContact SD-CD2 3.88Å
116T98.7Very high96.3Very high35 Ų3571.9 Ų71.922%0.21538%0.375CS..EExtended strand (participates in β ladder)trans-89.9166.9166.770.20000111.7P99 M101 E118 E119 L120P99-T116 WeakPolarHBondContact O-CB 3.36Å; M101-T116 CarbonylContact O-C 3.58Å; M101-T116 WeakPolarHBondContact O-CA 3.42Å; T116-E118 VanDerWaalsContact C-N 3.27Å; T116-E118 PolarHBondContact O-N 2.62Å; T116-E119 PolarHBondContact N-OE2 3.37Å; T116-E119 PolarHBondContact O-N 3.27Å; T116-E119 VanDerWaalsContact OG1-CG 3.32Å; T116-E119 WeakPolarHBondContact OG1-CG 3.31Å; T116-E119 PolarHBondContact OG1-N 2.76Å; T116-E119 VanDerWaalsContact OG1-N 3.13Å; T116-L120 WeakPolarHBondContact O-CG 3.42Å; T116-L120 PolarHBondContact O-N 3.17Å; T116-L120 VanDerWaalsContact O-N 3.09Å
117V98.5Very high95.8Very high5 Ų577.1 Ų77.13%0.0340%0.402CS..Hα-helixtrans-57.3-42171.61740000111M93 A94 C97 P99 M101 V103 L120 L121M93-V117 HydrophobicContact CB-CG1 4.12Å; M93-V117 HydrophobicContact CB-CG2 4.44Å; A94-V117 HydrophobicContact CB-CG1 4.42Å; C97-V117 HydrophobicContact CB-CG2 3.89Å; P99-V117 PolarHBondContact O-N 2.8Å; M101-V117 HydrophobicContact CB-CG2 4.04Å; M101-V117 HydrophobicContact CE-CG2 3.87Å; M101-V117 PolarHBondContact O-N 3.32Å; V103-V117 HydrophobicContact CG2-CG2 3.91Å; V117-L120 PolarHBondContact O-N 3.23Å; V117-L121 PolarHBondContact O-N 3.34Å
118E97.8Very high95.3Very high123 Ų12385.9 Ų85.958%0.57544%0.439SS*.Hα-helixtrans-63.7-42.4177.2-174172.6-134.600112.5P99 T116 L120 L121 P122P99-E118 HydrophobicContact CB-CB 4.03Å; P99-E118 WeakPolarHBondContact O-CB 3.46Å; P99-E118 PolarHBondContact O-N 3.05Å; T116-E118 VanDerWaalsContact C-N 3.27Å; T116-E118 PolarHBondContact O-N 2.62Å; E118-L120 VanDerWaalsContact C-N 3.26Å; E118-L120 PolarHBondContact O-N 2.93Å; E118-L121 CarbonylContact O-C 3.53Å; E118-L121 PolarHBondContact O-N 3.11Å; E118-P122 WeakPolarHBondContact O-CA 3.39Å; E118-P122 VanDerWaalsContact O-N 3.08Å
119E98.4Very high95.1Very high114 Ų11488.1 Ų88.153%0.53345%0.451SS..Hα-helixtrans-67.1-28.8177.7-71.1175.414500112.4M115 T116M115-E119 VanDerWaalsContact CA-OE2 3.23Å; M115-E119 WeakPolarHBondContact CA-OE2 3.23Å; M115-E119 HydrophobicContact CB-CB 4.28Å; M115-E119 HydrophobicContact CE-CB 3.7Å; M115-E119 WeakPolarHBondContact CE-O 3.21Å; T116-E119 PolarHBondContact N-OE2 3.37Å; T116-E119 PolarHBondContact O-N 3.27Å; T116-E119 VanDerWaalsContact OG1-CG 3.32Å; T116-E119 WeakPolarHBondContact OG1-CG 3.31Å; T116-E119 PolarHBondContact OG1-N 2.76Å; T116-E119 VanDerWaalsContact OG1-N 3.13Å
120L98.3Very high94.8Very high5 Ų588.5 Ų88.53%0.02645%0.452CS..Hα-helixtrans-72.2-33.9175.6-74.2170.8000112.2R90 M93 V103 L105 M115 T116 V117 E118R90-L120 WeakPolarHBondContact CD-O 3.13Å; R90-L120 HydrophobicContact CG-CB 4.41Å; R90-L120 PolarHBondContact NH1-O 3.03Å; M93-L120 HydrophobicContact CE-CD1 4.48Å; M93-L120 HydrophobicContact SD-CD1 4.35Å; V103-L120 HydrophobicContact CB-CD1 3.76Å; V103-L120 HydrophobicContact CG1-CD1 3.88Å; V103-L120 HydrophobicContact CG2-CD1 3.75Å; L105-L120 HydrophobicContact CD1-CD2 4.36Å; M115-L120 HydrophobicContact CB-CD2 4.35Å; M115-L120 HydrophobicContact CB-CG 4.18Å; M115-L120 HydrophobicContact CE-CD2 4.25Å; M115-L120 HydrophobicContact SD-CD2 3.88Å; T116-L120 WeakPolarHBondContact O-CG 3.42Å; T116-L120 PolarHBondContact O-N 3.17Å; T116-L120 VanDerWaalsContact O-N 3.09Å; V117-L120 PolarHBondContact O-N 3.23Å; E118-L120 VanDerWaalsContact C-N 3.26Å; E118-L120 PolarHBondContact O-N 2.93Å
121L98Very high95.1Very high44 Ų4490 Ų9023%0.2344%0.444CS..SBendtrans-140.675.8-179.5-168.658.4000111.2R90 Q91 A94 V117 E118 T124R90-L121 HydrophobicContact CB-CB 4.08Å; R90-L121 HydrophobicContact CB-CD2 3.97Å; R90-L121 HydrophobicContact CB-CG 4.48Å; Q91-L121 HydrophobicContact CB-CD2 4.23Å; A94-L121 HydrophobicContact CB-CD2 4.46Å; V117-L121 PolarHBondContact O-N 3.34Å; E118-L121 CarbonylContact O-C 3.53Å; E118-L121 PolarHBondContact O-N 3.11Å; L121-T124 WeakPolarHBondContact CD2-OG1 3.41Å; L121-T124 PolarHBondContact O-N 2.86Å
122P96.6Very high95Very high78 Ų7892 Ų9251%0.50645%0.451SS..THydrogen-bonded Turntrans-65.7145.9178.328.2-35.4000110.4E118 T124E118-P122 WeakPolarHBondContact O-CA 3.39Å; E118-P122 VanDerWaalsContact O-N 3.08Å; P122-T124 VanDerWaalsContact C-N 3.28Å; P122-T124 PolarHBondContact O-N 3.15Å
123Y93.5Very high94.8Very high238 Ų23892.8 Ų92.893%0.93345%0.449SS*.THydrogen-bonded Turntrans55.941.3-176.4-50.6-81.7000113
124T93.5Very high94.6Very high35 Ų3591.6 Ų91.622%0.21545%0.447CS..  trans-58.9144.9-179.7-154.10000111.6A94 L121 P122 T126A94-T124 HydrophobicContact CB-CG2 3.88Å; A94-T124 WeakPolarHBondContact CB-OG1 3.29Å; L121-T124 WeakPolarHBondContact CD2-OG1 3.41Å; L121-T124 PolarHBondContact O-N 2.86Å; P122-T124 VanDerWaalsContact C-N 3.28Å; P122-T124 PolarHBondContact O-N 3.15Å; T124-T126 HydrophobicContact CG2-CG2 3.45Å; T124-T126 VanDerWaalsContact CG2-CG2 3.45Å
125F92.9Very high94.3Very high115 Ų11590.9 Ų90.950%0.50445%0.445SS..  trans-71.7130.5171.4-177.7-93.2000109.4Q91 D129 L130Q91-F125 PolarHBondContact NE2-O 3.25Å; F125-D129 HydrophobicContact CD2-CB 3.79Å; F125-D129 HydrophobicContact CE2-CB 3.6Å; F125-D129 HydrophobicContact CZ-CB 4.3Å; F125-L130 HydrophobicContact CE1-CD2 4.11Å; F125-L130 HydrophobicContact CE1-CG 4.5Å; F125-L130 HydrophobicContact CZ-CD2 3.69Å; F125-L130 HydrophobicContact CZ-CG 4.23Å
126T90.7Very high94.1Very high42 Ų4294.5 Ų94.526%0.25846%0.462SS..  trans-137.5175.6-177.964.20000111.6T124 K128 D129T124-T126 HydrophobicContact CG2-CG2 3.45Å; T124-T126 VanDerWaalsContact CG2-CG2 3.45Å; T126-K128 PolarHBondContact O-N 3.45Å; T126-K128 PolarHBondContact OG1-N 3.22Å; T126-D129 PolarHBondContact N-OD2 2.81Å; T126-D129 WeakPolarHBondContact O-CB 3.41Å; T126-D129 PolarHBondContact O-N 3.04Å; T126-D129 PolarHBondContact OG1-OD2 3.26Å
127D88.3Confident93.7Very high117 Ų11798.8 Ų98.863%0.62648%0.48SS*.G310 helixtrans-54.2-19.7171.3-73.2-13.6000114.4D129D127-D129 PolarHBondContact O-N 3.36Å
128K87.1Confident93.4Very high192 Ų192106 Ų10684%0.83552%0.515SS*.G310 helixtrans-72-17.1176.9-61.8175.1-176.8167.80113.1T126T126-K128 PolarHBondContact O-N 3.45Å; T126-K128 PolarHBondContact OG1-N 3.22Å
129D91.2Very high93Very high96 Ų96104.6 Ų104.651%0.51351%0.51SS..G310 helixtrans-99.1-0.5-176.3-53.4-67000112.6F125 T126 D127F125-D129 HydrophobicContact CD2-CB 3.79Å; F125-D129 HydrophobicContact CE2-CB 3.6Å; F125-D129 HydrophobicContact CZ-CB 4.3Å; T126-D129 PolarHBondContact N-OD2 2.81Å; T126-D129 WeakPolarHBondContact O-CB 3.41Å; T126-D129 PolarHBondContact O-N 3.04Å; T126-D129 PolarHBondContact OG1-OD2 3.26Å; D127-D129 PolarHBondContact O-N 3.36Å
130L87.7Confident92.5Very high179 Ų179103.7 Ų103.794%0.93751%0.508SS*.  trans-870176.1-65.9175.9000112.2F125F125-L130 HydrophobicContact CE1-CD2 4.11Å; F125-L130 HydrophobicContact CE1-CG 4.5Å; F125-L130 HydrophobicContact CZ-CD2 3.69Å; F125-L130 HydrophobicContact CZ-CG 4.23Å

Retrieved 130 of 130 residues in 227 ms (Link to these results)

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