A0A077Z604_TRITR Loading...

Ubiquitin-fold modifier 1

AlphaFold DB , UniProt , Accession A0A077Z604, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 86 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
1S57.3Low86.5Confident153 Ų153109.1 Ų109.1100%1.0763%0.63SS**  0122.60-164.90000107.4R4S1-R4 PolarHBondContact OG-NH1 3.41Å
2S70.5Confident87.4Confident84 Ų84112.3 Ų112.359%0.58764%0.635SS**  trans-66145.4169-57.40000108.7R4S2-R4 PolarHBondContact O-N 3.36Å
3P83.3Confident88.2Confident100 Ų100105.8 Ų105.865%0.64960%0.599SS**  trans-62.2136.5175.931.8-37.1000108.8F26P3-F26 HydrophobicContact CB-CE1 3.82Å; P3-F26 HydrophobicContact CG-CD1 4.22Å; P3-F26 HydrophobicContact CG-CE1 3.74Å
4R84.9Confident88.8Confident173 Ų173103.6 Ų103.665%0.65359%0.591SS**  trans-131.3150.1177.8-64-171.7-171.986.1-7.2108.1S1 S2S1-R4 PolarHBondContact OG-NH1 3.41Å; S2-R4 PolarHBondContact O-N 3.36Å
5F87.8Confident89.4Confident78 Ų7897.2 Ų97.234%0.34255%0.554SS.*  trans-147.4154.5175.475.7-57.7000107.7L7 F21 A22 E25 F26F5-L7 HydrophobicContact CD2-CD1 4.44Å; F5-L7 HydrophobicContact CD2-CD2 3.84Å; F5-L7 HydrophobicContact CD2-CG 3.88Å; F5-L7 HydrophobicContact CE2-CD1 3.45Å; F5-L7 VanDerWaalsContact CE2-CD1 3.45Å; F5-L7 HydrophobicContact CE2-CD2 3.54Å; F5-L7 HydrophobicContact CE2-CG 3.36Å; F5-L7 HydrophobicContact CZ-CD1 3.72Å; F5-L7 HydrophobicContact CZ-CG 3.99Å; F5-F21 HydrophobicContact CE2-CD1 4.2Å; F5-F21 HydrophobicContact CE2-CE1 4.25Å; F5-A22 HydrophobicContact CE1-CB 4.16Å; F5-A22 HydrophobicContact CE2-CB 4.49Å; F5-A22 HydrophobicContact CZ-CB 3.5Å; F5-E25 HydrophobicContact CE2-CB 4.41Å; F5-E25 HydrophobicContact CE2-CG 4.28Å; F5-F26 HydrophobicContact CD1-CE1 4.38Å; F5-F26 AromaticContact CD1-CE2 3.57Å; F5-F26 HydrophobicContact CD1-CE2 3.57Å; F5-F26 AromaticContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CD1-CZ 3.42Å; F5-F26 VanDerWaalsContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CE1-CD2 4.16Å; F5-F26 AromaticContact CE1-CE2 3.28Å; F5-F26 HydrophobicContact CE1-CE2 3.28Å; F5-F26 AromaticContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CG-CZ 4.48Å; F5-F26 HydrophobicContact CZ-CE2 4.25Å
6T92.3Very high89.9Confident133 Ų13395.6 Ų95.682%0.81655%0.546SS*.  trans-114.1132-178.5-57.80000108.4
7L91.2Very high90.3Very high59 Ų5992.8 Ų92.831%0.30954%0.538SS..  trans-114.9133.3175.4-65.6177.5000110.1F5 V18 F21F5-L7 HydrophobicContact CD2-CD1 4.44Å; F5-L7 HydrophobicContact CD2-CD2 3.84Å; F5-L7 HydrophobicContact CD2-CG 3.88Å; F5-L7 HydrophobicContact CE2-CD1 3.45Å; F5-L7 VanDerWaalsContact CE2-CD1 3.45Å; F5-L7 HydrophobicContact CE2-CD2 3.54Å; F5-L7 HydrophobicContact CE2-CG 3.36Å; F5-L7 HydrophobicContact CZ-CD1 3.72Å; F5-L7 HydrophobicContact CZ-CG 3.99Å; L7-V18 HydrophobicContact CD1-CG1 4.01Å; L7-F21 HydrophobicContact CD1-CD1 3.8Å; L7-F21 HydrophobicContact CD1-CE1 4.42Å; L7-F21 HydrophobicContact CD2-CD1 3.66Å; L7-F21 HydrophobicContact CD2-CE1 3.41Å; L7-F21 VanDerWaalsContact CD2-CE1 3.41Å; L7-F21 HydrophobicContact CD2-CZ 4.37Å; L7-F21 HydrophobicContact CG-CD1 4.36Å
8S95.1Very high90.6Very high122 Ų12288.7 Ų88.785%0.85351%0.514SS*.  trans-108.5119.4167.5-60.20000108.3
9V94.6Very high90.8Very high62 Ų6284.6 Ų84.638%0.37649%0.491SS..  trans-133.5149.8-179.6-63.40000109.7T13 V18 A49V9-T13 HydrophobicContact CB-CG2 4.23Å; V9-V18 HydrophobicContact CG1-CG2 4.32Å; V9-V18 HydrophobicContact CG2-CG2 4.02Å; V9-A49 HydrophobicContact CG2-CB 3.62Å
10P97.7Very high91Very high94 Ų9485.9 Ų85.961%0.6149%0.49SS*.  trans-54.6147.6169.2-25.232.9000111.9E12 T13P10-E12 PolarHBondContact O-N 3.16Å; P10-T13 VanDerWaalsContact CD-OG1 3.31Å; P10-T13 WeakPolarHBondContact CD-OG1 3.17Å; P10-T13 WeakPolarHBondContact O-CB 3.46Å; P10-T13 PolarHBondContact O-N 2.86Å; P10-T13 PolarHBondContact O-OG1 2.96Å
11E97Very high91.3Very high142 Ų14286.1 Ų86.166%0.66449%0.486SS*.THydrogen-bonded Turntrans-58.8-36.4-177.5-66.9-174.316200112.8T13 T48 A49 G50E11-T13 PolarHBondContact O-N 3.37Å; E11-T48 WeakPolarHBondContact O-CB 3.29Å; E11-A49 PolarHBondContact O-N 3.35Å; E11-G50 PolarHBondContact O-N 2.83Å
12E97.3Very high93Very high148 Ų14879.1 Ų79.169%0.69244%0.437SS*.THydrogen-bonded Turntrans-72.6-5.9178.7-61.4-54.814000114.1P10 P14P10-E12 PolarHBondContact O-N 3.16Å; E12-P14 WeakPolarHBondContact O-CD 3.32Å
13T97.2Very high94.1Very high28 Ų2875.1 Ų75.117%0.17241%0.409CS..SBendtrans-60.5126.7179.8-55.40000109.8V9 P10 E11 F15 A17 V18 T48 A49V9-T13 HydrophobicContact CB-CG2 4.23Å; P10-T13 VanDerWaalsContact CD-OG1 3.31Å; P10-T13 WeakPolarHBondContact CD-OG1 3.17Å; P10-T13 WeakPolarHBondContact O-CB 3.46Å; P10-T13 PolarHBondContact O-N 2.86Å; P10-T13 PolarHBondContact O-OG1 2.96Å; E11-T13 PolarHBondContact O-N 3.37Å; T13-F15 PolarHBondContact O-N 2.7Å; T13-A17 HydrophobicContact CG2-CB 4.32Å; T13-V18 HydrophobicContact CG2-CG2 4.17Å; T13-T48 CarbonylContact O-C 3.58Å; T13-T48 WeakPolarHBondContact O-CA 3.31Å; T13-A49 PolarHBondContact O-N 2.96Å
14P97.6Very high94.6Very high74 Ų7475.2 Ų75.248%0.48140%0.401SS..BIsolated β-bridgetrans-57.8128.7172.6-24.834.5000110.4E12 T16 A17E12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-T16 PolarHBondContact O-N 3.34Å; P14-A17 WeakPolarHBondContact O-CB 3.48Å; P14-A17 PolarHBondContact O-N 2.82Å
15F96.9Very high95Very high8 Ų872.3 Ų72.34%0.03540%0.395CS..Hα-helixtrans-67.4-19.1-177.9-163.7-110000112.9T13 A17 V18 L19 I35 I43 P45 Q47 A49 V52 L60T13-F15 PolarHBondContact O-N 2.7Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 PolarHBondContact O-N 2.79Å; F15-V18 HydrophobicContact CD2-CB 3.93Å; F15-V18 HydrophobicContact CD2-CG1 4.23Å; F15-V18 HydrophobicContact CD2-CG2 4.07Å; F15-V18 HydrophobicContact CE2-CB 4.13Å; F15-V18 HydrophobicContact CE2-CG1 3.92Å; F15-V18 PolarHBondContact O-N 3.26Å; F15-L19 PolarHBondContact O-N 3.22Å; F15-I35 HydrophobicContact CE1-CB 4.2Å; F15-I35 HydrophobicContact CE1-CD1 3.72Å; F15-I35 HydrophobicContact CE1-CG1 4.46Å; F15-I35 HydrophobicContact CE1-CG2 4.23Å; F15-I35 HydrophobicContact CZ-CD1 3.69Å; F15-I35 HydrophobicContact CZ-CG2 4.22Å; F15-I43 HydrophobicContact CD1-CG2 4.34Å; F15-I43 HydrophobicContact CE1-CG2 3.98Å; F15-P45 HydrophobicContact CD1-CB 4.19Å; F15-Q47 WeakPolarHBondContact CB-O 3.35Å; F15-Q47 PolarHBondContact N-O 3.15Å; F15-A49 HydrophobicContact CD2-CB 4.43Å; F15-V52 HydrophobicContact CB-CG2 3.95Å; F15-V52 HydrophobicContact CD1-CG2 3.71Å; F15-V52 HydrophobicContact CD2-CB 4Å; F15-V52 HydrophobicContact CD2-CG1 4.28Å; F15-V52 HydrophobicContact CD2-CG2 3.56Å; F15-V52 HydrophobicContact CE1-CG1 4.24Å; F15-V52 HydrophobicContact CE1-CG2 4.02Å; F15-V52 HydrophobicContact CE2-CB 3.99Å; F15-V52 HydrophobicContact CE2-CG1 3.77Å; F15-V52 HydrophobicContact CE2-CG2 3.9Å; F15-V52 HydrophobicContact CG-CB 4.39Å; F15-V52 HydrophobicContact CG-CG2 3.46Å; F15-V52 VanDerWaalsContact CG-CG2 3.46Å; F15-V52 HydrophobicContact CZ-CB 4.37Å; F15-V52 HydrophobicContact CZ-CG1 3.76Å; F15-V52 HydrophobicContact CZ-CG2 4.13Å; F15-L60 HydrophobicContact CE2-CD1 4.09Å; F15-L60 HydrophobicContact CZ-CD1 3.57Å
16T97.1Very high95.1Very high71 Ų7172 Ų7244%0.43639%0.393SS..Hα-helixtrans-58-37.1165.948.30000113P14 K20 P45P14-T16 PolarHBondContact O-N 3.34Å; T16-K20 WeakPolarHBondContact O-CB 3.37Å; T16-K20 PolarHBondContact O-N 2.93Å; T16-P45 HydrophobicContact CG2-CB 3.85Å; T16-P45 HydrophobicContact CG2-CG 4.14Å; T16-P45 WeakPolarHBondContact CG2-O 3.46Å; T16-P45 PolarHBondContact N-O 2.66Å
17A96.6Very high95.1Very high49 Ų4974.8 Ų74.841%0.40539%0.394SS..Hα-helixtrans-70.4-39.6176.800000111.3T13 P14 F15 K20 F21T13-A17 HydrophobicContact CG2-CB 4.32Å; P14-A17 WeakPolarHBondContact O-CB 3.48Å; P14-A17 PolarHBondContact O-N 2.82Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 PolarHBondContact O-N 2.79Å; A17-K20 PolarHBondContact O-N 3.32Å; A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 3.37Å
18V96.1Very high95.2Very high18 Ų1874.8 Ų74.811%0.10940%0.396CS..Hα-helixtrans-60.8-47.2173.7-178.60000110.7L7 V9 T13 F15 K20 F21 A22 A49L7-V18 HydrophobicContact CD1-CG1 4.01Å; V9-V18 HydrophobicContact CG1-CG2 4.32Å; V9-V18 HydrophobicContact CG2-CG2 4.02Å; T13-V18 HydrophobicContact CG2-CG2 4.17Å; F15-V18 HydrophobicContact CD2-CB 3.93Å; F15-V18 HydrophobicContact CD2-CG1 4.23Å; F15-V18 HydrophobicContact CD2-CG2 4.07Å; F15-V18 HydrophobicContact CE2-CB 4.13Å; F15-V18 HydrophobicContact CE2-CG1 3.92Å; F15-V18 PolarHBondContact O-N 3.26Å; V18-K20 PolarHBondContact O-N 2.98Å; V18-F21 PolarHBondContact O-N 2.96Å; V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.25Å; V18-A49 HydrophobicContact CG2-CB 4.32Å
19L95Very high95.1Very high12 Ų1272.5 Ų72.56%0.06338%0.378CS..Hα-helixtrans-59.9-46176.4-179.9154.5000111.6F15 A22 A23 P30 I35 P45 L62F15-L19 PolarHBondContact O-N 3.22Å; L19-A22 PolarHBondContact O-N 3.17Å; L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.34Å; L19-P30 HydrophobicContact CD2-CB 4.37Å; L19-I35 HydrophobicContact CB-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG1 4.16Å; L19-I35 HydrophobicContact CG-CD1 4.33Å; L19-I35 HydrophobicContact CG-CG1 4.32Å; L19-P45 HydrophobicContact CD1-CB 4.25Å; L19-P45 HydrophobicContact CD1-CG 4.42Å; L19-L62 HydrophobicContact CG-CD1 4.5Å
20K95.5Very high95.1Very high110 Ų11070.6 Ų70.648%0.47837%0.367SS..Hα-helixtrans-61.2-49.2179.4-178.5177.4173.3-178.70111.3T16 A17 V18 A22 A23 E24 P30T16-K20 WeakPolarHBondContact O-CB 3.37Å; T16-K20 PolarHBondContact O-N 2.93Å; A17-K20 PolarHBondContact O-N 3.32Å; V18-K20 PolarHBondContact O-N 2.98Å; K20-A22 PolarHBondContact O-N 2.91Å; K20-A23 PolarHBondContact O-N 2.92Å; K20-E24 WeakPolarHBondContact CE-OE1 3.39Å; K20-E24 IonicContact NZ-OE1 3.91Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.06Å; K20-P30 HydrophobicContact CB-CB 4.4Å; K20-P30 HydrophobicContact CG-CB 4.18Å; K20-P30 HydrophobicContact CG-CG 4.27Å
21F95.9Very high94.8Very high91 Ų9172.4 Ų72.440%0.39937%0.367SS..Hα-helixtrans-58.8-47.2177.5-173.6-84.1000111.4F5 L7 A17 V18 A23 E24 E25F5-F21 HydrophobicContact CE2-CD1 4.2Å; F5-F21 HydrophobicContact CE2-CE1 4.25Å; L7-F21 HydrophobicContact CD1-CD1 3.8Å; L7-F21 HydrophobicContact CD1-CE1 4.42Å; L7-F21 HydrophobicContact CD2-CD1 3.66Å; L7-F21 HydrophobicContact CD2-CE1 3.41Å; L7-F21 VanDerWaalsContact CD2-CE1 3.41Å; L7-F21 HydrophobicContact CD2-CZ 4.37Å; L7-F21 HydrophobicContact CG-CD1 4.36Å; A17-F21 WeakPolarHBondContact O-CB 3.45Å; A17-F21 PolarHBondContact O-N 3.37Å; V18-F21 PolarHBondContact O-N 2.96Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 2.83Å; F21-E24 PolarHBondContact O-N 3.42Å; F21-E25 HydrophobicContact CD1-CG 3.82Å; F21-E25 HydrophobicContact CE1-CG 3.36Å; F21-E25 HydrophobicContact CZ-CG 3.93Å; F21-E25 WeakPolarHBondContact O-CG 3.42Å; F21-E25 PolarHBondContact O-N 3.1Å
22A94Very high94.6Very high5 Ų568.6 Ų68.64%0.04135%0.354CS..Hα-helixtrans-58-43.6177.500000112.7F5 V18 L19 K20 F26 L62F5-A22 HydrophobicContact CE1-CB 4.16Å; F5-A22 HydrophobicContact CE2-CB 4.49Å; F5-A22 HydrophobicContact CZ-CB 3.5Å; V18-A22 VanDerWaalsContact O-CB 3.3Å; V18-A22 WeakPolarHBondContact O-CB 3.35Å; V18-A22 PolarHBondContact O-N 3.25Å; L19-A22 PolarHBondContact O-N 3.17Å; K20-A22 PolarHBondContact O-N 2.91Å; A22-F26 WeakPolarHBondContact O-CD2 3.3Å; A22-F26 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-N 3.09Å; A22-L62 HydrophobicContact CB-CD1 4.49Å
23A93.1Very high94.4Very high0 Ų061.7 Ų61.70%032%0.322CS..Hα-helixtrans-64.3-43.3178.300000111.9L19 K20 F21 F26 K27 V28 P30 L62L19-A23 WeakPolarHBondContact O-CB 3.47Å; L19-A23 PolarHBondContact O-N 3.34Å; K20-A23 PolarHBondContact O-N 2.92Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 2.83Å; A23-F26 CarbonylContact O-C 3.6Å; A23-F26 PolarHBondContact O-N 3.39Å; A23-K27 PolarHBondContact O-N 3.38Å; A23-V28 CarbonylContact C-O 3.52Å; A23-V28 HydrophobicContact CB-CG2 3.95Å; A23-V28 WeakPolarHBondContact O-CG2 3.33Å; A23-V28 PolarHBondContact O-N 3.47Å; A23-V28 VanDerWaalsContact O-O 3.09Å; A23-P30 HydrophobicContact CB-CB 3.83Å; A23-L62 HydrophobicContact CB-CD2 4.17Å
24E94.4Very high94.2Very high103 Ų10361 Ų6148%0.48132%0.32SS..Hα-helixtrans-62.9-44.1176.8-71.6172.8172.800112K20 F21 F26 K27K20-E24 WeakPolarHBondContact CE-OE1 3.39Å; K20-E24 IonicContact NZ-OE1 3.91Å; K20-E24 WeakPolarHBondContact O-CG 3.45Å; K20-E24 PolarHBondContact O-N 3.06Å; F21-E24 PolarHBondContact O-N 3.42Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.43Å; E24-K27 WeakPolarHBondContact O-CA 3.16Å; E24-K27 PolarHBondContact O-N 3.19Å
25E92.3Very high94Very high112 Ų11258 Ų5852%0.52330%0.299SS..Hα-helixtrans-60-41.5175.6-76.5-61.1123.700112.5F5 F21 K27F5-E25 HydrophobicContact CE2-CB 4.41Å; F5-E25 HydrophobicContact CE2-CG 4.28Å; F21-E25 HydrophobicContact CD1-CG 3.82Å; F21-E25 HydrophobicContact CE1-CG 3.36Å; F21-E25 HydrophobicContact CZ-CG 3.93Å; F21-E25 WeakPolarHBondContact O-CG 3.42Å; F21-E25 PolarHBondContact O-N 3.1Å; E25-K27 PolarHBondContact O-N 3.45Å
26F90.9Very high93.9Very high70 Ų7058.7 Ų58.731%0.30730%0.303SS..THydrogen-bonded Turntrans-81.31.3175-71.1-56.7000114.2P3 F5 A22 A23 E24 V28 L62P3-F26 HydrophobicContact CB-CE1 3.82Å; P3-F26 HydrophobicContact CG-CD1 4.22Å; P3-F26 HydrophobicContact CG-CE1 3.74Å; F5-F26 HydrophobicContact CD1-CE1 4.38Å; F5-F26 AromaticContact CD1-CE2 3.57Å; F5-F26 HydrophobicContact CD1-CE2 3.57Å; F5-F26 AromaticContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CD1-CZ 3.42Å; F5-F26 VanDerWaalsContact CD1-CZ 3.42Å; F5-F26 HydrophobicContact CE1-CD2 4.16Å; F5-F26 AromaticContact CE1-CE2 3.28Å; F5-F26 HydrophobicContact CE1-CE2 3.28Å; F5-F26 AromaticContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CE1-CZ 3.69Å; F5-F26 HydrophobicContact CG-CZ 4.48Å; F5-F26 HydrophobicContact CZ-CE2 4.25Å; A22-F26 WeakPolarHBondContact O-CD2 3.3Å; A22-F26 PolarHBondContact O-N 3.24Å; A22-F26 VanDerWaalsContact O-N 3.09Å; A23-F26 CarbonylContact O-C 3.6Å; A23-F26 PolarHBondContact O-N 3.39Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 3.43Å; F26-V28 VanDerWaalsContact C-N 3.29Å; F26-V28 HydrophobicContact CB-CG2 4.25Å; F26-V28 PolarHBondContact O-N 3.45Å; F26-L62 HydrophobicContact CB-CD2 4.41Å; F26-L62 HydrophobicContact CD2-CB 4.46Å; F26-L62 HydrophobicContact CD2-CD2 3.84Å
27K92.3Very high93.6Very high193 Ų19355.7 Ų55.784%0.83929%0.285SS*.THydrogen-bonded Turntrans56.840.6-179.6-53.6178.9-178.4179.30112.8A23 E24 E25A23-K27 PolarHBondContact O-N 3.38Å; E24-K27 WeakPolarHBondContact O-CA 3.16Å; E24-K27 PolarHBondContact O-N 3.19Å; E25-K27 PolarHBondContact O-N 3.45Å
28V91.8Very high93.2Very high58 Ų5857.1 Ų57.135%0.35229%0.286SS..  trans-118151.1174.3-62.90000110.6A23 F26 L62A23-V28 CarbonylContact C-O 3.52Å; A23-V28 HydrophobicContact CB-CG2 3.95Å; A23-V28 WeakPolarHBondContact O-CG2 3.33Å; A23-V28 PolarHBondContact O-N 3.47Å; A23-V28 VanDerWaalsContact O-O 3.09Å; F26-V28 VanDerWaalsContact C-N 3.29Å; F26-V28 HydrophobicContact CB-CG2 4.25Å; F26-V28 PolarHBondContact O-N 3.45Å; V28-L62 HydrophobicContact CG2-CD2 3.57Å
29P94Very high92.9Very high74 Ų7463.3 Ų63.348%0.48132%0.318SS..  trans-69.7124-178.7-1730.6000111.6E31 T32 S33P29-E31 VanDerWaalsContact C-N 3.26Å; P29-E31 PolarHBondContact O-N 3.4Å; P29-T32 PolarHBondContact O-N 3.27Å; P29-T32 PolarHBondContact O-OG1 3.09Å; P29-T32 VanDerWaalsContact O-OG1 3.1Å; P29-S33 PolarHBondContact O-N 3.34Å; P29-S33 PolarHBondContact O-OG 2.96Å
30P94Very high92.7Very high22 Ų2265 Ų6514%0.14334%0.338CS..G310 helixtrans-62.3-30.9-177.723.1-31.9000113.2L19 K20 A23 T32 S33L19-P30 HydrophobicContact CD2-CB 4.37Å; K20-P30 HydrophobicContact CB-CB 4.4Å; K20-P30 HydrophobicContact CG-CB 4.18Å; K20-P30 HydrophobicContact CG-CG 4.27Å; A23-P30 HydrophobicContact CB-CB 3.83Å; P30-T32 PolarHBondContact O-N 3.02Å; P30-S33 PolarHBondContact O-N 2.96Å; P30-S33 VanDerWaalsContact O-N 3.08Å
31E92.1Very high92.4Very high132 Ų13264.1 Ų64.162%0.61734%0.338SS*.G310 helixtrans-63.8-31.4-179.3-59.474.3-160.300112.2P29 R65P29-E31 VanDerWaalsContact C-N 3.26Å; P29-E31 PolarHBondContact O-N 3.4Å; E31-R65 WeakPolarHBondContact O-CD 3.3Å; E31-R65 PolarHBondContact O-NE 2.97Å; E31-R65 PolarHBondContact O-NH1 3.41Å
32T91.3Very high92.2Very high63 Ų6361.9 Ų61.939%0.38734%0.34SS..G310 helixtrans-100.410.4178.662.80000112.4P29 P30 P64 R65P29-T32 PolarHBondContact O-N 3.27Å; P29-T32 PolarHBondContact O-OG1 3.09Å; P29-T32 VanDerWaalsContact O-OG1 3.1Å; P30-T32 PolarHBondContact O-N 3.02Å; T32-P64 CarbonylContact O-C 3.4Å; T32-P64 WeakPolarHBondContact O-CA 3.34Å; T32-R65 PolarHBondContact O-N 3.4Å
33S93.2Very high92.2Very high3 Ų362.2 Ų62.22%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-105.9148.3-177.8-62.40000112.3P29 P30 I63 R65P29-S33 PolarHBondContact O-N 3.34Å; P29-S33 PolarHBondContact O-OG 2.96Å; P30-S33 PolarHBondContact O-N 2.96Å; P30-S33 VanDerWaalsContact O-N 3.08Å; S33-I63 CarbonylContact C-O 3.49Å; S33-I63 WeakPolarHBondContact CA-O 3.12Å; S33-R65 WeakPolarHBondContact O-CG 3.42Å; S33-R65 PolarHBondContact O-NE 3.24Å
34A94.1Very high92.2Very high14 Ų1466.4 Ų66.412%0.11637%0.367CS..EExtended strand (participates in β ladder)trans-137.3158.817400000109.9L62 I63 R65 V68A34-L62 CarbonylContact O-C 3.49Å; A34-L62 WeakPolarHBondContact O-CA 3.47Å; A34-I63 HydrophobicContact CB-CG1 4.12Å; A34-I63 PolarHBondContact N-O 3.46Å; A34-I63 PolarHBondContact O-N 3.36Å; A34-R65 HydrophobicContact CB-CG 3.88Å; A34-V68 HydrophobicContact CB-CG2 3.42Å; A34-V68 VanDerWaalsContact CB-CG2 3.42Å
35I93.7Very high92Very high10 Ų1062.8 Ų62.85%0.05135%0.352CS..EExtended strand (participates in β ladder)trans-111.9136.4173.7-67.1-175.3000109.1F15 L19 I43 L60 R61 L62F15-I35 HydrophobicContact CE1-CB 4.2Å; F15-I35 HydrophobicContact CE1-CD1 3.72Å; F15-I35 HydrophobicContact CE1-CG1 4.46Å; F15-I35 HydrophobicContact CE1-CG2 4.23Å; F15-I35 HydrophobicContact CZ-CD1 3.69Å; F15-I35 HydrophobicContact CZ-CG2 4.22Å; L19-I35 HydrophobicContact CB-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG1 4.16Å; L19-I35 HydrophobicContact CG-CD1 4.33Å; L19-I35 HydrophobicContact CG-CG1 4.32Å; I35-I43 HydrophobicContact CG2-CD1 4.1Å; I35-I43 PolarHBondContact O-N 2.69Å; I35-L60 HydrophobicContact CG2-CB 3.72Å; I35-L60 HydrophobicContact CG2-CD1 4.01Å; I35-L60 HydrophobicContact CG2-CG 4.31Å; I35-R61 CarbonylContact C-O 3.5Å; I35-R61 VanDerWaalsContact CA-O 3.3Å; I35-R61 WeakPolarHBondContact CA-O 3.43Å; I35-L62 HydrophobicContact CD1-CD1 4.42Å; I35-L62 HydrophobicContact CG1-CD1 3.8Å
36I93.5Very high92.1Very high22 Ų2263.2 Ų63.211%0.11336%0.363CS..EExtended strand (participates in β ladder)trans-125.2159.5173.665172.4000110.6I41 R61 I63I36-I41 CarbonylContact C-O 3.57Å; I36-I41 WeakPolarHBondContact CA-O 3.47Å; I36-I41 WeakPolarHBondContact CB-O 3.15Å; I36-R61 HydrophobicContact CD1-CB 4.49Å; I36-R61 HydrophobicContact CG1-CB 3.88Å; I36-R61 PolarHBondContact N-O 2.81Å; I36-R61 PolarHBondContact O-N 2.91Å; I36-I63 HydrophobicContact CD1-CD1 4.19Å; I36-I63 HydrophobicContact CD1-CG2 3.69Å; I36-I63 HydrophobicContact CG1-CD1 4.49Å; I36-I63 HydrophobicContact CG1-CG2 4Å; I36-I63 HydrophobicContact CG2-CD1 3.5Å; I36-I63 VanDerWaalsContact CG2-CD1 3.5Å; I36-I63 HydrophobicContact CG2-CG1 3.92Å
37T91.8Very high92.3Very high9 Ų961.9 Ų61.96%0.05536%0.357CS..EExtended strand (participates in β ladder)trans-75.8168.6164.567.80000111.2D39 G40 I41 I43 H56 L60T37-D39 PolarHBondContact O-N 3.25Å; T37-D39 PolarHBondContact OG1-N 3.44Å; T37-G40 PolarHBondContact O-N 2.92Å; T37-I41 HydrophobicContact CG2-CB 4.19Å; T37-I41 PolarHBondContact N-O 3.37Å; T37-I41 WeakPolarHBondContact OG1-CB 3.41Å; T37-I41 PolarHBondContact OG1-N 3.45Å; T37-I41 VanDerWaalsContact OG1-N 3.17Å; T37-I43 HydrophobicContact CG2-CD1 4.04Å; T37-I43 HydrophobicContact CG2-CG1 4.39Å; T37-H56 HydrophobicContact CG2-CB 3.9Å; T37-L60 HydrophobicContact CG2-CD2 4.28Å
38D89Confident92.6Very high79 Ų7955 Ų5542%0.42233%0.331SS..THydrogen-bonded Turntrans-57.6-29.9172.7-93.424000113.5G40 R61D38-G40 PolarHBondContact O-N 3.4Å; D38-R61 IonicContact OD1-CZ 3.74Å; D38-R61 VanDerWaalsContact OD1-CZ 3.3Å; D38-R61 IonicContact OD1-NE 3.84Å; D38-R61 PolarHBondContact OD1-NE 2.96Å; D38-R61 IonicContact OD1-NH2 2.83Å; D38-R61 PolarHBondContact OD1-NH2 3.36Å; D38-R61 VanDerWaalsContact OD1-NH2 3.15Å; D38-R61 IonicContact OD2-CZ 3.3Å; D38-R61 IonicContact OD2-NE 2.66Å; D38-R61 IonicContact OD2-NH2 3.15Å; D38-R61 PolarHBondContact OD2-NH2 2.92Å
39D89.6Confident92.8Very high148 Ų14852.8 Ų52.879%0.79132%0.319SS*.THydrogen-bonded Turntrans-79.91.4175.3-58.1-48000113.8T37 I41T37-D39 PolarHBondContact O-N 3.25Å; T37-D39 PolarHBondContact OG1-N 3.44Å; D39-I41 HydrophobicContact CB-CG1 4.44Å
40G89.2Confident93Very high46 Ų4649.8 Ų49.847%0.47430%0.302SS..  trans83.115178.700000115T37 D38T37-G40 PolarHBondContact O-N 2.92Å; D38-G40 PolarHBondContact O-N 3.4Å
41I90.8Very high93.2Very high93 Ų9350.4 Ų50.448%0.47731%0.309SS..  trans-78.3124.4177.4-55.9173000109I36 T37 D39I36-I41 CarbonylContact C-O 3.57Å; I36-I41 WeakPolarHBondContact CA-O 3.47Å; I36-I41 WeakPolarHBondContact CB-O 3.15Å; T37-I41 HydrophobicContact CG2-CB 4.19Å; T37-I41 PolarHBondContact N-O 3.37Å; T37-I41 WeakPolarHBondContact OG1-CB 3.41Å; T37-I41 PolarHBondContact OG1-N 3.45Å; T37-I41 VanDerWaalsContact OG1-N 3.17Å; D39-I41 HydrophobicContact CB-CG1 4.44Å
42G92Very high93.4Very high43 Ų4344.1 Ų44.144%0.44328%0.28SS..EExtended strand (participates in β ladder)trans-69.5136.6175.400000113
43I94.1Very high93.6Very high12 Ų1247.1 Ų47.16%0.06229%0.287CS..EExtended strand (participates in β ladder)trans-108.7120.3177.4-56-176.6000109.5F15 I35 T37 V52 H56 L60F15-I43 HydrophobicContact CD1-CG2 4.34Å; F15-I43 HydrophobicContact CE1-CG2 3.98Å; I35-I43 HydrophobicContact CG2-CD1 4.1Å; I35-I43 PolarHBondContact O-N 2.69Å; T37-I43 HydrophobicContact CG2-CD1 4.04Å; T37-I43 HydrophobicContact CG2-CG1 4.39Å; I43-V52 HydrophobicContact CD1-CG1 4.09Å; I43-V52 HydrophobicContact CG2-CG1 4.28Å; I43-V52 HydrophobicContact CG2-CG2 4.15Å; I43-H56 HydrophobicContact CD1-CB 3.96Å; I43-L60 HydrophobicContact CD1-CD1 4.16Å; I43-L60 HydrophobicContact CD1-CD2 3.45Å; I43-L60 VanDerWaalsContact CD1-CD2 3.45Å; I43-L60 HydrophobicContact CD1-CG 4.43Å
44T92.3Very high93.7Very high89 Ų8955.1 Ų55.155%0.54633%0.326SS..  trans-74.8125.9171.1-54.30000109.1T46T44-T46 HydrophobicContact CG2-CG2 4.13Å; T44-T46 WeakPolarHBondContact CG2-OG1 3.46Å; T44-T46 PolarHBondContact O-N 2.92Å
45P90.7Very high93.8Very high26 Ų2661.3 Ų61.317%0.16935%0.351CS..SBendtrans-802.6-172.233-37.3000114.6F15 T16 L19 Q47F15-P45 HydrophobicContact CD1-CB 4.19Å; T16-P45 HydrophobicContact CG2-CB 3.85Å; T16-P45 HydrophobicContact CG2-CG 4.14Å; T16-P45 WeakPolarHBondContact CG2-O 3.46Å; T16-P45 PolarHBondContact N-O 2.66Å; L19-P45 HydrophobicContact CD1-CB 4.25Å; L19-P45 HydrophobicContact CD1-CG 4.42Å; P45-Q47 PolarHBondContact O-N 3.49Å
46T94.1Very high93.8Very high122 Ų12263.6 Ų63.675%0.74836%0.361SS*.SBendtrans-79.837.7-17760.60000113.1T44T44-T46 HydrophobicContact CG2-CG2 4.13Å; T44-T46 WeakPolarHBondContact CG2-OG1 3.46Å; T44-T46 PolarHBondContact O-N 2.92Å
47Q95.1Very high93.9Very high42 Ų4263.9 Ų63.920%0.19637%0.369CS..SBendtrans-139.7168.917953.1177.780.400110F15 P45 A51 V52F15-Q47 WeakPolarHBondContact CB-O 3.35Å; F15-Q47 PolarHBondContact N-O 3.15Å; P45-Q47 PolarHBondContact O-N 3.49Å; Q47-A51 HydrophobicContact CB-CB 4.35Å; Q47-A51 PolarHBondContact NE2-O 3.29Å; Q47-V52 HydrophobicContact CG-CG2 3.59Å
48T98Very high94Very high47 Ų4767.5 Ų67.529%0.28840%0.395SS..BIsolated β-bridgetrans-77.5159.4175.463.80000111.3E11 T13 G50 A51 V52E11-T48 WeakPolarHBondContact O-CB 3.29Å; T13-T48 CarbonylContact O-C 3.58Å; T13-T48 WeakPolarHBondContact O-CA 3.31Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 2.82Å; T48-A51 PolarHBondContact O-N 2.88Å; T48-A51 WeakPolarHBondContact OG1-CB 3.41Å; T48-A51 PolarHBondContact OG1-N 3.28Å; T48-V52 PolarHBondContact O-N 3.17Å; T48-V52 VanDerWaalsContact O-N 3.1Å
49A97.2Very high94.2Very high12 Ų1269.3 Ų69.310%0.09940%0.401CS..Hα-helixtrans-60.6-40.817800000111.7V9 E11 T13 F15 V18 A51 V52 F53V9-A49 HydrophobicContact CG2-CB 3.62Å; E11-A49 PolarHBondContact O-N 3.35Å; T13-A49 PolarHBondContact O-N 2.96Å; F15-A49 HydrophobicContact CD2-CB 4.43Å; V18-A49 HydrophobicContact CG2-CB 4.32Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.85Å; A49-V52 PolarHBondContact O-N 2.96Å; A49-F53 WeakPolarHBondContact O-CB 3.36Å; A49-F53 PolarHBondContact O-N 3Å
50G97.5Very high94.4Very high12 Ų1264.6 Ų64.612%0.12438%0.376CS..Hα-helixtrans-59.9-42.917500000112.5E11 T48 V52 F53 M54E11-G50 PolarHBondContact O-N 2.83Å; T48-G50 VanDerWaalsContact C-N 3.31Å; T48-G50 PolarHBondContact O-N 2.82Å; G50-V52 VanDerWaalsContact C-N 3.34Å; G50-V52 PolarHBondContact O-N 3.36Å; G50-F53 PolarHBondContact O-N 2.84Å; G50-M54 WeakPolarHBondContact O-CB 3.39Å; G50-M54 WeakPolarHBondContact O-CG 2.91Å; G50-M54 PolarHBondContact O-N 2.97Å
51A97Very high94.6Very high34 Ų3468 Ų6828%0.28137%0.374SS..Hα-helixtrans-66.1-33.3176.600000113Q47 T48 A49 K55Q47-A51 HydrophobicContact CB-CB 4.35Å; Q47-A51 PolarHBondContact NE2-O 3.29Å; T48-A51 PolarHBondContact O-N 2.88Å; T48-A51 WeakPolarHBondContact OG1-CB 3.41Å; T48-A51 PolarHBondContact OG1-N 3.28Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.85Å; A51-K55 WeakPolarHBondContact O-CG 3.49Å; A51-K55 PolarHBondContact O-N 3.43Å
52V96.4Very high94.7Very high1 Ų165.6 Ų65.61%0.00636%0.362CS..Hα-helixtrans-67.8-50.1173.51750000109.9F15 I43 Q47 T48 A49 G50 M54 K55 H56 L60F15-V52 HydrophobicContact CB-CG2 3.95Å; F15-V52 HydrophobicContact CD1-CG2 3.71Å; F15-V52 HydrophobicContact CD2-CB 4Å; F15-V52 HydrophobicContact CD2-CG1 4.28Å; F15-V52 HydrophobicContact CD2-CG2 3.56Å; F15-V52 HydrophobicContact CE1-CG1 4.24Å; F15-V52 HydrophobicContact CE1-CG2 4.02Å; F15-V52 HydrophobicContact CE2-CB 3.99Å; F15-V52 HydrophobicContact CE2-CG1 3.77Å; F15-V52 HydrophobicContact CE2-CG2 3.9Å; F15-V52 HydrophobicContact CG-CB 4.39Å; F15-V52 HydrophobicContact CG-CG2 3.46Å; F15-V52 VanDerWaalsContact CG-CG2 3.46Å; F15-V52 HydrophobicContact CZ-CB 4.37Å; F15-V52 HydrophobicContact CZ-CG1 3.76Å; F15-V52 HydrophobicContact CZ-CG2 4.13Å; I43-V52 HydrophobicContact CD1-CG1 4.09Å; I43-V52 HydrophobicContact CG2-CG1 4.28Å; I43-V52 HydrophobicContact CG2-CG2 4.15Å; Q47-V52 HydrophobicContact CG-CG2 3.59Å; T48-V52 PolarHBondContact O-N 3.17Å; T48-V52 VanDerWaalsContact O-N 3.1Å; A49-V52 PolarHBondContact O-N 2.96Å; G50-V52 VanDerWaalsContact C-N 3.34Å; G50-V52 PolarHBondContact O-N 3.36Å; V52-M54 VanDerWaalsContact C-N 3.31Å; V52-M54 PolarHBondContact O-N 2.91Å; V52-K55 PolarHBondContact O-N 2.99Å; V52-H56 HydrophobicContact CG1-CB 4.4Å; V52-H56 WeakPolarHBondContact O-CB 3.4Å; V52-H56 PolarHBondContact O-N 2.88Å; V52-L60 HydrophobicContact CG1-CD1 3.79Å
53F95.7Very high94.7Very high126 Ų12665 Ų6555%0.55335%0.348SS*.Hα-helixtrans-57.6-45.2-178-179.9-102.4000111.7A49 G50 K55 G57A49-F53 WeakPolarHBondContact O-CB 3.36Å; A49-F53 PolarHBondContact O-N 3Å; G50-F53 PolarHBondContact O-N 2.84Å; F53-K55 VanDerWaalsContact C-N 3.3Å; F53-K55 PolarHBondContact O-N 2.78Å; F53-G57 VanDerWaalsContact O-CA 3.29Å; F53-G57 WeakPolarHBondContact O-CA 3.45Å; F53-G57 PolarHBondContact O-N 2.79Å
54M96.3Very high94.4Very high170 Ų17066.5 Ų66.584%0.83736%0.359SS*.Hα-helixtrans-60.1-35175.8-78-77.4-136.700113.8G50 V52G50-M54 WeakPolarHBondContact O-CB 3.39Å; G50-M54 WeakPolarHBondContact O-CG 2.91Å; G50-M54 PolarHBondContact O-N 2.97Å; V52-M54 VanDerWaalsContact C-N 3.31Å; V52-M54 PolarHBondContact O-N 2.91Å
55K95.8Very high93.9Very high145 Ų14568.5 Ų68.563%0.6336%0.357SS*.Hα-helixtrans-89.3-32.2-176.7-71.9179.1-176.6178.20113.9A51 V52 F53A51-K55 WeakPolarHBondContact O-CG 3.49Å; A51-K55 PolarHBondContact O-N 3.43Å; V52-K55 PolarHBondContact O-N 2.99Å; F53-K55 VanDerWaalsContact C-N 3.3Å; F53-K55 PolarHBondContact O-N 2.78Å
56H94.6Very high93Very high57 Ų5773.2 Ų73.226%0.26438%0.38SS..Hα-helixtrans-129.6-11.3-164.4-56.9-62.8000114T37 I43 V52 L60T37-H56 HydrophobicContact CG2-CB 3.9Å; I43-H56 HydrophobicContact CD1-CB 3.96Å; V52-H56 HydrophobicContact CG1-CB 4.4Å; V52-H56 WeakPolarHBondContact O-CB 3.4Å; V52-H56 PolarHBondContact O-N 2.88Å; H56-L60 HydrophobicContact CB-CD2 4.15Å
57G94.9Very high91.5Very high28 Ų2872 Ų7229%0.28936%0.362SS..  trans77.8-164.6-174.600000113.8F53F53-G57 VanDerWaalsContact O-CA 3.29Å; F53-G57 WeakPolarHBondContact O-CA 3.45Å; F53-G57 PolarHBondContact O-N 2.79Å
58S94.1Very high89.7Confident85 Ų8573 Ų7359%0.59437%0.371SS*.SBendtrans-92.6-21.7-177.5510000114.6L60S58-L60 PolarHBondContact O-N 3.25Å; S58-L60 VanDerWaalsContact O-N 3.16Å
59E93.3Very high87.7Confident117 Ų11774.6 Ų74.655%0.54740%0.396SS..  trans-85.491.9-173.8-66.2-59.6134.900110.7
60L94.4Very high85.6Confident50 Ų5081.1 Ų81.126%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-121.8151.3-176.2-57-176.6000110.9F15 I35 T37 I43 V52 H56 S58F15-L60 HydrophobicContact CE2-CD1 4.09Å; F15-L60 HydrophobicContact CZ-CD1 3.57Å; I35-L60 HydrophobicContact CG2-CB 3.72Å; I35-L60 HydrophobicContact CG2-CD1 4.01Å; I35-L60 HydrophobicContact CG2-CG 4.31Å; T37-L60 HydrophobicContact CG2-CD2 4.28Å; I43-L60 HydrophobicContact CD1-CD1 4.16Å; I43-L60 HydrophobicContact CD1-CD2 3.45Å; I43-L60 VanDerWaalsContact CD1-CD2 3.45Å; I43-L60 HydrophobicContact CD1-CG 4.43Å; V52-L60 HydrophobicContact CG1-CD1 3.79Å; H56-L60 HydrophobicContact CB-CD2 4.15Å; S58-L60 PolarHBondContact O-N 3.25Å; S58-L60 VanDerWaalsContact O-N 3.16Å
61R93.3Very high83.5Confident118 Ų11891.5 Ų91.545%0.44546%0.46SS..EExtended strand (participates in β ladder)trans-122.1132179.8-58.9-174.2-177.6-164.55.3111.1I35 I36 D38I35-R61 CarbonylContact C-O 3.5Å; I35-R61 VanDerWaalsContact CA-O 3.3Å; I35-R61 WeakPolarHBondContact CA-O 3.43Å; I36-R61 HydrophobicContact CD1-CB 4.49Å; I36-R61 HydrophobicContact CG1-CB 3.88Å; I36-R61 PolarHBondContact N-O 2.81Å; I36-R61 PolarHBondContact O-N 2.91Å; D38-R61 IonicContact OD1-CZ 3.74Å; D38-R61 VanDerWaalsContact OD1-CZ 3.3Å; D38-R61 IonicContact OD1-NE 3.84Å; D38-R61 PolarHBondContact OD1-NE 2.96Å; D38-R61 IonicContact OD1-NH2 2.83Å; D38-R61 PolarHBondContact OD1-NH2 3.36Å; D38-R61 VanDerWaalsContact OD1-NH2 3.15Å; D38-R61 IonicContact OD2-CZ 3.3Å; D38-R61 IonicContact OD2-NE 2.66Å; D38-R61 IonicContact OD2-NH2 3.15Å; D38-R61 PolarHBondContact OD2-NH2 2.92Å
62L92.9Very high81.3Confident42 Ų4295.6 Ų95.622%0.2248%0.483CS..EExtended strand (participates in β ladder)trans-80130.6167.8-163.975.5000109.5L19 A22 A23 F26 V28 A34 I35L19-L62 HydrophobicContact CG-CD1 4.5Å; A22-L62 HydrophobicContact CB-CD1 4.49Å; A23-L62 HydrophobicContact CB-CD2 4.17Å; F26-L62 HydrophobicContact CB-CD2 4.41Å; F26-L62 HydrophobicContact CD2-CB 4.46Å; F26-L62 HydrophobicContact CD2-CD2 3.84Å; V28-L62 HydrophobicContact CG2-CD2 3.57Å; A34-L62 CarbonylContact O-C 3.49Å; A34-L62 WeakPolarHBondContact O-CA 3.47Å; I35-L62 HydrophobicContact CD1-CD1 4.42Å; I35-L62 HydrophobicContact CG1-CD1 3.8Å
63I90.7Very high79.1Confident29 Ų29104.1 Ų104.115%0.14952%0.521CS..EExtended strand (participates in β ladder)trans-132.4156.4174.463.5161.5000110.7S33 A34 I36 V68S33-I63 CarbonylContact C-O 3.49Å; S33-I63 WeakPolarHBondContact CA-O 3.12Å; A34-I63 HydrophobicContact CB-CG1 4.12Å; A34-I63 PolarHBondContact N-O 3.46Å; A34-I63 PolarHBondContact O-N 3.36Å; I36-I63 HydrophobicContact CD1-CD1 4.19Å; I36-I63 HydrophobicContact CD1-CG2 3.69Å; I36-I63 HydrophobicContact CG1-CD1 4.49Å; I36-I63 HydrophobicContact CG1-CG2 4Å; I36-I63 HydrophobicContact CG2-CD1 3.5Å; I36-I63 VanDerWaalsContact CG2-CD1 3.5Å; I36-I63 HydrophobicContact CG2-CG1 3.92Å; I63-V68 HydrophobicContact CD1-CB 4.22Å; I63-V68 HydrophobicContact CD1-CG2 3.54Å; I63-V68 HydrophobicContact CG1-CG2 4.14Å
64P88.5Confident76.7Confident45 Ų45100.3 Ų100.329%0.29252%0.518SS..EExtended strand (participates in β ladder)trans-61.5138.2163.2-19.331.7000110.7T32 D66 R67T32-P64 CarbonylContact O-C 3.4Å; T32-P64 WeakPolarHBondContact O-CA 3.34Å; P64-D66 PolarHBondContact O-N 3.3Å; P64-R67 HydrophobicContact CB-CG 4.3Å; P64-R67 HydrophobicContact CG-CG 4.45Å; P64-R67 WeakPolarHBondContact O-CB 3.35Å; P64-R67 PolarHBondContact O-N 3.2Å
65R81.2Confident74.2Confident131 Ų13197.6 Ų97.649%0.49451%0.51SS..G310 helixtrans-55.5-36.5178.2-83.2-178.7179.4-166-4.8112.3E31 T32 S33 A34 R67 V68E31-R65 WeakPolarHBondContact O-CD 3.3Å; E31-R65 PolarHBondContact O-NE 2.97Å; E31-R65 PolarHBondContact O-NH1 3.41Å; T32-R65 PolarHBondContact O-N 3.4Å; S33-R65 WeakPolarHBondContact O-CG 3.42Å; S33-R65 PolarHBondContact O-NE 3.24Å; A34-R65 HydrophobicContact CB-CG 3.88Å; R65-R67 PolarHBondContact O-N 3.1Å; R65-V68 WeakPolarHBondContact O-CB 3.37Å; R65-V68 WeakPolarHBondContact O-CG2 3.32Å; R65-V68 PolarHBondContact O-N 2.95Å
66D72Confident71.9Confident125 Ų12596.6 Ų96.667%0.66852%0.522SS*.G310 helixtrans-61.6-12.5175.9-4.2-62.6000113.2P64P64-D66 PolarHBondContact O-N 3.3Å
67R62.5Low69.4Low96 Ų96100 Ų10036%0.36254%0.542SS..G310 helixtrans-106.5-0.2175.9-56.9-172.1-171.4171.69113.6P64 R65 G69 H70 F73P64-R67 HydrophobicContact CB-CG 4.3Å; P64-R67 HydrophobicContact CG-CG 4.45Å; P64-R67 WeakPolarHBondContact O-CB 3.35Å; P64-R67 PolarHBondContact O-N 3.2Å; R65-R67 PolarHBondContact O-N 3.1Å; R67-G69 PolarHBondContact O-N 3.08Å; R67-H70 PolarHBondContact O-N 3.37Å; R67-F73 PolarHBondContact NH1-O 2.74Å
68V56.8Low67Low64 Ų64107.7 Ų107.739%0.38856%0.562SS.*THydrogen-bonded Turntrans-67.7122.8177.8179.70000108.6A34 I63 R65 H70A34-V68 HydrophobicContact CB-CG2 3.42Å; A34-V68 VanDerWaalsContact CB-CG2 3.42Å; I63-V68 HydrophobicContact CD1-CB 4.22Å; I63-V68 HydrophobicContact CD1-CG2 3.54Å; I63-V68 HydrophobicContact CG1-CG2 4.14Å; R65-V68 WeakPolarHBondContact O-CB 3.37Å; R65-V68 WeakPolarHBondContact O-CG2 3.32Å; R65-V68 PolarHBondContact O-N 2.95Å; V68-H70 VanDerWaalsContact C-N 3.34Å; V68-H70 PolarHBondContact O-N 3.29Å
69G56.7Low64.5Low79 Ų79115 Ų11581%0.81458%0.576SS**THydrogen-bonded Turntrans82.7-1.3179.400000116R67R67-G69 PolarHBondContact O-N 3.08Å
70H52.8Low62Low150 Ų150116.2 Ų116.269%0.69459%0.586SS**SBendtrans-104134.9167.4-77.559.8000109.1R67 V68R67-H70 PolarHBondContact O-N 3.37Å; V68-H70 VanDerWaalsContact C-N 3.34Å; V68-H70 PolarHBondContact O-N 3.29Å
71R54.5Low59.8Low229 Ų229120.5 Ų120.586%0.86461%0.609SS**  trans-41.5133.8176.6-73-167-72.2-157-3.4110.1F73R71-F73 PolarHBondContact O-N 3.23Å
72P50.4Low57.6Low120 Ų120119 Ų11978%0.77962%0.622SS**  trans-62.4100.5-170.124.1-32.7000110.2G74P72-G74 PolarHBondContact O-N 3.3Å
73F49.6Very low55Low180 Ų180122.8 Ų122.879%0.78965%0.649SS**  trans-70.281.8141.3-84.3-82.3000105.7R67 R71R67-F73 PolarHBondContact NH1-O 2.74Å; R71-F73 PolarHBondContact O-N 3.23Å
74G45.2Very low52.7Low47 Ų47127 Ų12749%0.48568%0.681SS.*  trans-52.7144.7156.600000107.6P72 S76P72-G74 PolarHBondContact O-N 3.3Å; G74-S76 PolarHBondContact O-N 3.39Å
75T45.2Very low50.7Low112 Ų112136.1 Ų136.169%0.68771%0.71SS**  trans-58.387.2168.5-24.50000107.9L77T75-L77 HydrophobicContact CG2-CB 4.25Å; T75-L77 PolarHBondContact O-N 3.28Å
76S46.5Very low49.5Very low125 Ų125139.4 Ų139.487%0.87475%0.748SS**  trans-77.173.6158.2-71.60000106.2G74 R78G74-S76 PolarHBondContact O-N 3.39Å; S76-R78 PolarHBondContact O-N 3.04Å
77L42.9Very low48.4Very low129 Ų129140.1 Ų140.168%0.67575%0.752SS**  trans-76.2109.1170.6-167.868.7000107.5T75T75-L77 HydrophobicContact CG2-CB 4.25Å; T75-L77 PolarHBondContact O-N 3.28Å
78R44.5Very low47.6Very low189 Ų189142.4 Ų142.471%0.71377%0.772SS**  trans76.1106.8159.1-64.1168.2-174.1-128.81.5117S76S76-R78 PolarHBondContact O-N 3.04Å
79R41.7Very low47.1Very low237 Ų237146.8 Ų146.889%0.89479%0.794SS**  -81.5108.7120.9-98.5-147.3-90.3-164.9-5.7108N81R79-N81 PolarHBondContact O-N 2.98Å
80L40.1Very low46.6Very low143 Ų143150.8 Ų150.875%0.74979%0.792SS**  trans-65.4117.1148.2-84153.9000106.2
81N48.5Very low46.2Very low140 Ų140150.8 Ų150.875%0.74980%0.799SS**  trans-146.5110.8152.7-14616.8000110.4R79R79-N81 PolarHBondContact O-N 2.98Å
82A47.5Very low45.6Very low88 Ų88145.6 Ų145.673%0.72779%0.794SS**  trans56.2132.2156.400000120.6
83P37Very low45.3Very low121 Ų121147.4 Ų147.479%0.78680%0.795SS**  trans-78162.9166.934.3-32.2000111.8
84S43.1Very low45Very low117 Ų117144.9 Ų144.982%0.81880%0.796SS**  trans95.2112.4155.371.50000119.6
85R45.6Very low44.9Very low237 Ų237153.1 Ų153.189%0.89482%0.822SS**  -139.5153.4124-110.4-177.2-178-143.8-0.4107.6
86P56.7Low44.9Very low199 Ų199156.8 Ų156.8100%1.29283%0.834SS**  trans-57.50-150.924.8-36000114.9

Retrieved 86 of 86 residues in 22.4 ms (Link to these results)