A0A077ZBC9_TRITR Loading...

LIM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M46.7Very low80.7Confident238 Ų23897.8 Ų97.8100%1.17256%0.56SS**  0111.20-68.3162.366.400106.1E3M1-E3 PolarHBondContact O-N 3.46Å
2T55.5Low81.8Confident139 Ų13994 Ų9485%0.85356%0.558SS**  trans-79.4111.6176.248.10000107.5V4T2-V4 PolarHBondContact O-N 3.39Å
3E71Confident82.6Confident185 Ų18594.9 Ų94.986%0.86456%0.559SS**PPolyproline II helixtrans-57.9126.1174-66.1178.2-179.200108.6M1M1-E3 PolarHBondContact O-N 3.46Å
4V74.2Confident83.1Confident122 Ų12292.1 Ų92.174%0.73954%0.543SS*.PPolyproline II helixtrans-62.5125.5175.1176.70000106.9T2 L6T2-V4 PolarHBondContact O-N 3.39Å; V4-L6 PolarHBondContact O-N 2.76Å; V4-L6 VanDerWaalsContact O-N 3.13Å
5P81Confident83.1Confident84 Ų8486.9 Ų86.955%0.54551%0.513SS..PPolyproline II helixtrans-62.2120.1-179.124.2-32.7000109.6V14P5-V14 HydrophobicContact CB-CG1 3.72Å; P5-V14 HydrophobicContact CB-CG2 4.14Å
6L89.6Confident82.6Confident57 Ų5791.3 Ų91.330%0.29853%0.532SS..PPolyproline II helixtrans-71.1135.7175.6-62.3176.6000109.2V4 V14 T15 F20 Y22 V28V4-L6 PolarHBondContact O-N 2.76Å; V4-L6 VanDerWaalsContact O-N 3.13Å; L6-V14 CarbonylContact O-C 3.57Å; L6-V14 VanDerWaalsContact O-CA 3.32Å; L6-V14 WeakPolarHBondContact O-CA 3.28Å; L6-V14 WeakPolarHBondContact O-CG1 3.31Å; L6-T15 WeakPolarHBondContact CB-OG1 3.31Å; L6-T15 PolarHBondContact O-N 3.2Å; L6-T15 PolarHBondContact O-OG1 3.22Å; L6-F20 HydrophobicContact CD1-CD1 4.46Å; L6-F20 HydrophobicContact CD1-CD2 4.29Å; L6-F20 HydrophobicContact CD1-CE1 4.12Å; L6-F20 HydrophobicContact CD1-CE2 3.97Å; L6-F20 HydrophobicContact CD1-CZ 3.86Å; L6-Y22 VanDerWaalsContact CD1-OH 3.22Å; L6-Y22 WeakPolarHBondContact CD1-OH 3.36Å; L6-V28 HydrophobicContact CB-CG1 4.22Å; L6-V28 HydrophobicContact CB-CG2 4.17Å; L6-V28 HydrophobicContact CD1-CG2 4.41Å; L6-V28 HydrophobicContact CD2-CG2 4.12Å; L6-V28 HydrophobicContact CG-CG2 4.46Å
7T93Very high81.7Confident64 Ų6490.8 Ų90.839%0.39353%0.534SS..BIsolated β-bridgetrans-116.3130-177.3-580000110.3V9 G12T7-V9 PolarHBondContact O-N 3.02Å; T7-G12 VanDerWaalsContact CG2-O 3.25Å; T7-G12 WeakPolarHBondContact CG2-O 3.39Å
8C94.6Very high81.5Confident0 Ų092.6 Ų92.60%055%0.548CS..  trans-65.8119.3175.6175.80000110A10 C11 G12 N13 T15 V28 H33C8-A10 PolarHBondContact O-N 2.94Å; C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-C11 PolarHBondContact O-N 3.46Å; C8-G12 WeakPolarHBondContact O-CA 3.22Å; C8-G12 PolarHBondContact O-N 3.14Å; C8-N13 PolarHBondContact N-O 3.03Å; C8-T15 HydrophobicContact CB-CG2 4.07Å; C8-V28 CarbonylContact C-O 3.56Å; C8-V28 WeakPolarHBondContact CA-O 3.5Å; C8-H33 PolarHBondContact SG-ND1 2.88Å; C8-H33 VanDerWaalsContact SG-ND1 3.45Å
9V93.9Very high81.7Confident82 Ų8295.1 Ų95.150%0.49755%0.554SS.*THydrogen-bonded Turntrans-64.8-26-179.3175.90000112.2T7 R27 V28 Y29T7-V9 PolarHBondContact O-N 3.02Å; V9-R27 HydrophobicContact CG2-CB 3.89Å; V9-R27 HydrophobicContact CG2-CG 4.32Å; V9-V28 PolarHBondContact N-O 3.1Å; V9-Y29 HydrophobicContact CB-CE1 3.99Å; V9-Y29 HydrophobicContact CG1-CE1 4.47Å
10A93.7Very high82.2Confident60 Ų6094 Ų9450%0.49654%0.542SS..THydrogen-bonded Turntrans-79.2-38.4-178.800000114C8 Y29 H33C8-A10 PolarHBondContact O-N 2.94Å; A10-Y29 HydrophobicContact CB-CD1 3.89Å; A10-Y29 HydrophobicContact CB-CE1 4.08Å; A10-H33 HydrophobicContact CB-CB 3.65Å
11C94.6Very high82.7Confident45 Ų4590.9 Ų90.930%0.30453%0.525SS..THydrogen-bonded Turntrans-114.5-11.1-175.871.50000114.6C8 N13 H30C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-C11 PolarHBondContact O-N 3.46Å; C11-N13 PolarHBondContact O-N 3.37Å; C11-H30 PolarHBondContact SG-CE1 2.83Å
12G93.3Very high84.9Confident52 Ų5285.1 Ų85.154%0.53649%0.491SS..  trans75.9-0.5179.800000115.2T7 C8T7-G12 VanDerWaalsContact CG2-O 3.25Å; T7-G12 WeakPolarHBondContact CG2-O 3.39Å; C8-G12 WeakPolarHBondContact O-CA 3.22Å; C8-G12 PolarHBondContact O-N 3.14Å
13N92.5Very high86.8Confident106 Ų10678.9 Ų78.957%0.56745%0.452SS*.  trans-89.4153.2177.7-65-39.8000111.6C8 C11C8-N13 PolarHBondContact N-O 3.03Å; C11-N13 PolarHBondContact O-N 3.37Å
14V89.7Confident87.8Confident56 Ų5675.3 Ų75.334%0.33944%0.443SS..BIsolated β-bridgetrans-64.4134.1174.5178.10000109.8P5 L6 L16P5-V14 HydrophobicContact CB-CG1 3.72Å; P5-V14 HydrophobicContact CB-CG2 4.14Å; L6-V14 CarbonylContact O-C 3.57Å; L6-V14 VanDerWaalsContact O-CA 3.32Å; L6-V14 WeakPolarHBondContact O-CA 3.28Å; L6-V14 WeakPolarHBondContact O-CG1 3.31Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 HydrophobicContact CB-CD2 4.22Å; V14-L16 HydrophobicContact CB-CG 4.27Å; V14-L16 HydrophobicContact CG1-CD2 3.66Å; V14-L16 HydrophobicContact CG1-CG 4.05Å; V14-L16 PolarHBondContact O-N 2.82Å
15T83.2Confident88.7Confident14 Ų1474.5 Ų74.59%0.08643%0.434CS..  trans-76.685.6170.462.30000108.4L6 C8 C17 F20 V28L6-T15 WeakPolarHBondContact CB-OG1 3.31Å; L6-T15 PolarHBondContact O-N 3.2Å; L6-T15 PolarHBondContact O-OG1 3.22Å; C8-T15 HydrophobicContact CB-CG2 4.07Å; T15-C17 VanDerWaalsContact C-N 3.31Å; T15-F20 HydrophobicContact CG2-CB 4.27Å; T15-V28 HydrophobicContact CG2-CG1 3.75Å
16L74.7Confident89.2Confident156 Ų15672.8 Ų72.882%0.81743%0.432SS*.  trans-76.5-20.6-178.7-65.9171.9000112.9V14V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 HydrophobicContact CB-CD2 4.22Å; V14-L16 HydrophobicContact CB-CG 4.27Å; V14-L16 HydrophobicContact CG1-CD2 3.66Å; V14-L16 HydrophobicContact CG1-CG 4.05Å; V14-L16 PolarHBondContact O-N 2.82Å
17C68.1Low89.4Confident84 Ų8471.9 Ų71.957%0.56843%0.425SS*.SBendtrans-86.8151.6-178.1-60.80000110.9T15 E19T15-C17 VanDerWaalsContact C-N 3.31Å; C17-E19 PolarHBondContact O-N 2.92Å
18P77.8Confident89.5Confident122 Ų12269.3 Ų69.379%0.79241%0.409SS*.SBendtrans-64.3-11.2179.228-35.8000113.5
19E85.1Confident89.5Confident140 Ų14069.8 Ų69.865%0.65441%0.411SS*.  trans-99.6109-177.2-62.6-100.1147.600109.8C17 P31C17-E19 PolarHBondContact O-N 2.92Å; E19-P31 HydrophobicContact CB-CG 4.12Å; E19-P31 WeakPolarHBondContact O-CD 3.16Å
20F91.4Very high89.5Confident74 Ų7467.3 Ų67.333%0.32539%0.394SS..  trans-146.7162.8170.554.6-96.3000109.2L6 T15 Y22 V28L6-F20 HydrophobicContact CD1-CD1 4.46Å; L6-F20 HydrophobicContact CD1-CD2 4.29Å; L6-F20 HydrophobicContact CD1-CE1 4.12Å; L6-F20 HydrophobicContact CD1-CE2 3.97Å; L6-F20 HydrophobicContact CD1-CZ 3.86Å; T15-F20 HydrophobicContact CG2-CB 4.27Å; F20-Y22 HydrophobicContact CD2-CD2 4.4Å; F20-Y22 AromaticContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CE2-CD2 4.22Å; F20-Y22 AromaticContact CE2-CE2 3.4Å; F20-Y22 HydrophobicContact CE2-CE2 3.4Å; F20-Y22 AromaticContact CE2-CZ 3.7Å; F20-Y22 HydrophobicContact CZ-CE2 4.5Å; F20-V28 HydrophobicContact CB-CG1 3.83Å; F20-V28 HydrophobicContact CD2-CG1 4.16Å; F20-V28 HydrophobicContact CG-CG1 4.16Å
21V93.2Very high89.5Confident29 Ų2965.9 Ų65.918%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-125.9144.7175.9-60.50000110.7V28 Y29 F34 A44V21-V28 WeakPolarHBondContact O-CA 3.27Å; V21-Y29 PolarHBondContact N-O 2.93Å; V21-Y29 PolarHBondContact O-N 3.14Å; V21-F34 HydrophobicContact CG2-CB 3.45Å; V21-F34 VanDerWaalsContact CG2-CB 3.45Å; V21-F34 HydrophobicContact CG2-CD1 3.87Å; V21-F34 HydrophobicContact CG2-CD2 3.74Å; V21-F34 HydrophobicContact CG2-CE2 4.46Å; V21-F34 HydrophobicContact CG2-CG 3.41Å; V21-F34 VanDerWaalsContact CG2-CG 3.41Å; V21-A44 HydrophobicContact CG1-CB 3.96Å
22Y93.6Very high89.5Confident116 Ų11668.9 Ų68.946%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-98.8138.7168.4-64.9-80.5000109.8L6 F20 R27 V28L6-Y22 VanDerWaalsContact CD1-OH 3.22Å; L6-Y22 WeakPolarHBondContact CD1-OH 3.36Å; F20-Y22 HydrophobicContact CD2-CD2 4.4Å; F20-Y22 AromaticContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CD2-CE2 3.93Å; F20-Y22 HydrophobicContact CE2-CD2 4.22Å; F20-Y22 AromaticContact CE2-CE2 3.4Å; F20-Y22 HydrophobicContact CE2-CE2 3.4Å; F20-Y22 AromaticContact CE2-CZ 3.7Å; F20-Y22 HydrophobicContact CZ-CE2 4.5Å; Y22-R27 WeakPolarHBondContact CA-O 3.43Å; Y22-V28 HydrophobicContact CD1-CG2 3.79Å; Y22-V28 HydrophobicContact CE1-CG2 3.4Å
23D94.3Very high89.6Confident8 Ų869.5 Ų69.54%0.04338%0.378CS..  trans-80.3177.5162.784-20000111.7L25 G26 R27 Y29 F34 Y49 I51D23-L25 PolarHBondContact O-N 3.44Å; D23-L25 VanDerWaalsContact O-N 3.1Å; D23-L25 VanDerWaalsContact OD1-C 3.25Å; D23-L25 VanDerWaalsContact OD1-CA 3.3Å; D23-L25 WeakPolarHBondContact OD1-CA 3.29Å; D23-L25 WeakPolarHBondContact OD1-CB 3.5Å; D23-L25 PolarHBondContact OD1-N 3.48Å; D23-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact OD1-N 3.22Å; D23-R27 PolarHBondContact N-O 2.98Å; D23-R27 WeakPolarHBondContact OD1-CB 3.47Å; D23-R27 PolarHBondContact OD1-N 2.98Å; D23-R27 IonicContact OD1-NE 3.36Å; D23-R27 IonicContact OD2-CZ 2.63Å; D23-R27 IonicContact OD2-NE 3.22Å; D23-R27 PolarHBondContact OD2-NE 3.37Å; D23-R27 IonicContact OD2-NH2 3.33Å; D23-R27 PolarHBondContact OD2-NH2 3.34Å; D23-Y29 HydrophobicContact CB-CE2 4.19Å; D23-F34 HydrophobicContact CB-CE2 3.79Å; D23-F34 HydrophobicContact CB-CZ 4.15Å; D23-Y49 VanDerWaalsContact CA-OH 3.31Å; D23-Y49 WeakPolarHBondContact CA-OH 3.39Å; D23-Y49 HydrophobicContact CB-CE2 4.42Å; D23-I51 HydrophobicContact CB-CD1 4.32Å; D23-I51 WeakPolarHBondContact OD2-CD1 3.35Å
24T92.2Very high89.8Confident111 Ų11164.7 Ų64.768%0.68135%0.352SS*.THydrogen-bonded Turntrans-65.8-8.7176.954.20000114.6Y49 I51T24-Y49 HydrophobicContact CG2-CE2 4.34Å; T24-Y49 WeakPolarHBondContact CG2-OH 3.27Å; T24-Y49 PolarHBondContact N-OH 2.84Å; T24-Y49 VanDerWaalsContact N-OH 3.11Å; T24-I51 WeakPolarHBondContact OG1-CD1 3.48Å
25L93.2Very high90.1Very high104 Ų10464.1 Ų64.155%0.54535%0.349SS..THydrogen-bonded Turntrans-101.85.7174.9-58.8176.8000112.7D23 R27 I51D23-L25 PolarHBondContact O-N 3.44Å; D23-L25 VanDerWaalsContact O-N 3.1Å; D23-L25 VanDerWaalsContact OD1-C 3.25Å; D23-L25 VanDerWaalsContact OD1-CA 3.3Å; D23-L25 WeakPolarHBondContact OD1-CA 3.29Å; D23-L25 WeakPolarHBondContact OD1-CB 3.5Å; D23-L25 PolarHBondContact OD1-N 3.48Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 HydrophobicContact CB-CG 4.35Å; L25-R27 PolarHBondContact O-N 2.74Å; L25-I51 HydrophobicContact CB-CD1 4.42Å; L25-I51 HydrophobicContact CD1-CD1 3.67Å; L25-I51 HydrophobicContact CD1-CG2 4.26Å; L25-I51 HydrophobicContact CG-CD1 3.54Å
26G92.5Very high90.8Very high49 Ų4963.5 Ų63.551%0.50535%0.345SS..SBendtrans76.314-179.100000114.6D23D23-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact OD1-N 3.22Å
27R93.7Very high91.8Very high37 Ų3759.6 Ų59.614%0.1433%0.331CS..  trans-81137.9176.5-62.8-179.3-64.1159.4-2.7110.3V9 Y22 D23 L25 Y29 N55V9-R27 HydrophobicContact CG2-CB 3.89Å; V9-R27 HydrophobicContact CG2-CG 4.32Å; Y22-R27 WeakPolarHBondContact CA-O 3.43Å; D23-R27 PolarHBondContact N-O 2.98Å; D23-R27 WeakPolarHBondContact OD1-CB 3.47Å; D23-R27 PolarHBondContact OD1-N 2.98Å; D23-R27 IonicContact OD1-NE 3.36Å; D23-R27 IonicContact OD2-CZ 2.63Å; D23-R27 IonicContact OD2-NE 3.22Å; D23-R27 PolarHBondContact OD2-NE 3.37Å; D23-R27 IonicContact OD2-NH2 3.33Å; D23-R27 PolarHBondContact OD2-NH2 3.34Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 HydrophobicContact CB-CG 4.35Å; L25-R27 PolarHBondContact O-N 2.74Å; R27-Y29 HydrophobicContact CB-CE2 3.68Å; R27-Y29 PolarHBondContact NH1-OH 2.93Å; R27-Y29 WeakPolarHBondContact O-CD2 3.39Å; R27-N55 VanDerWaalsContact NH1-CB 3.34Å; R27-N55 PolarHBondContact NH1-O 2.82Å; R27-N55 VanDerWaalsContact NH1-O 3.14Å; R27-N55 PolarHBondContact NH2-O 2.88Å
28V93.7Very high93Very high10 Ų1059.7 Ų59.76%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-93.9139.2-176.7-167.10000111L6 C8 V9 T15 F20 V21 Y22L6-V28 HydrophobicContact CB-CG1 4.22Å; L6-V28 HydrophobicContact CB-CG2 4.17Å; L6-V28 HydrophobicContact CD1-CG2 4.41Å; L6-V28 HydrophobicContact CD2-CG2 4.12Å; L6-V28 HydrophobicContact CG-CG2 4.46Å; C8-V28 CarbonylContact C-O 3.56Å; C8-V28 WeakPolarHBondContact CA-O 3.5Å; V9-V28 PolarHBondContact N-O 3.1Å; T15-V28 HydrophobicContact CG2-CG1 3.75Å; F20-V28 HydrophobicContact CB-CG1 3.83Å; F20-V28 HydrophobicContact CD2-CG1 4.16Å; F20-V28 HydrophobicContact CG-CG1 4.16Å; V21-V28 WeakPolarHBondContact O-CA 3.27Å; Y22-V28 HydrophobicContact CD1-CG2 3.79Å; Y22-V28 HydrophobicContact CE1-CG2 3.4Å
29Y94.9Very high93.8Very high11 Ų1157.4 Ų57.44%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-135148.1173.8-62.1-94.1000110.1V9 A10 V21 D23 R27 H33 F34 I57V9-Y29 HydrophobicContact CB-CE1 3.99Å; V9-Y29 HydrophobicContact CG1-CE1 4.47Å; A10-Y29 HydrophobicContact CB-CD1 3.89Å; A10-Y29 HydrophobicContact CB-CE1 4.08Å; V21-Y29 PolarHBondContact N-O 2.93Å; V21-Y29 PolarHBondContact O-N 3.14Å; D23-Y29 HydrophobicContact CB-CE2 4.19Å; R27-Y29 HydrophobicContact CB-CE2 3.68Å; R27-Y29 PolarHBondContact NH1-OH 2.93Å; R27-Y29 WeakPolarHBondContact O-CD2 3.39Å; Y29-H33 HydrophobicContact CD1-CB 4.48Å; Y29-F34 AromaticContact CD2-CD2 3.64Å; Y29-F34 HydrophobicContact CD2-CD2 3.64Å; Y29-F34 AromaticContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CE2-CD2 4.28Å; Y29-F34 HydrophobicContact CE2-CE2 4.27Å; Y29-F34 AromaticContact CG-CD2 3.8Å; Y29-F34 HydrophobicContact CG-CD2 3.8Å; Y29-I57 HydrophobicContact CD1-CD1 4.39Å; Y29-I57 HydrophobicContact CD2-CD1 4.44Å; Y29-I57 HydrophobicContact CE1-CD1 4Å; Y29-I57 HydrophobicContact CE2-CD1 4.06Å
30H94.5Very high94.3Very high29 Ų2953 Ų5313%0.13431%0.306CS..  trans-64.8148.7158.1-55.2140.8000109.6C11 E32 H33 F34C11-H30 PolarHBondContact SG-CE1 2.83Å; H30-E32 HydrophobicContact CB-CG 4.43Å; H30-E32 WeakPolarHBondContact CB-OE1 3.48Å; H30-E32 VanDerWaalsContact CB-OE2 3.29Å; H30-E32 WeakPolarHBondContact CB-OE2 3.46Å; H30-E32 IonicContact CG-OE1 3.07Å; H30-E32 IonicContact ND1-OE1 2.78Å; H30-E32 PolarHBondContact ND1-OE1 3.33Å; H30-E32 PolarHBondContact O-N 3.27Å; H30-E32 VanDerWaalsContact O-N 3.16Å; H30-H33 HydrophobicContact CB-CB 4.49Å; H30-H33 AromaticContact CG-ND1 3.71Å; H30-H33 AromaticContact ND1-CE1 3.4Å; H30-H33 PolarHBondContact ND1-CE1 3.27Å; H30-H33 AromaticContact ND1-ND1 3.14Å; H30-H33 PolarHBondContact ND1-ND1 3.26Å; H30-H33 VanDerWaalsContact ND1-ND1 3.14Å; H30-H33 WeakPolarHBondContact O-CA 3.47Å; H30-H33 PolarHBondContact O-N 3.32Å; H30-F34 PolarHBondContact O-N 3Å
31P93.9Very high94.5Very high30 Ų3052.7 Ų52.720%0.19531%0.305CS..G310 helixtrans-52.9-37178.6-27.435.8000113.6E19 H33 F34 N42 A44E19-P31 HydrophobicContact CB-CG 4.12Å; E19-P31 WeakPolarHBondContact O-CD 3.16Å; P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 3.07Å; P31-F34 PolarHBondContact O-N 2.89Å; P31-N42 PolarHBondContact O-ND2 3.29Å; P31-A44 HydrophobicContact CB-CB 3.95Å
32E94.1Very high94.7Very high109 Ų10954.3 Ų54.351%0.50931%0.312SS..G310 helixtrans-71.5-21.3177.372.2-78.417600114.1H30 T35H30-E32 HydrophobicContact CB-CG 4.43Å; H30-E32 WeakPolarHBondContact CB-OE1 3.48Å; H30-E32 VanDerWaalsContact CB-OE2 3.29Å; H30-E32 WeakPolarHBondContact CB-OE2 3.46Å; H30-E32 IonicContact CG-OE1 3.07Å; H30-E32 IonicContact ND1-OE1 2.78Å; H30-E32 PolarHBondContact ND1-OE1 3.33Å; H30-E32 PolarHBondContact O-N 3.27Å; H30-E32 VanDerWaalsContact O-N 3.16Å; E32-T35 WeakPolarHBondContact O-CG2 3.34Å
33H95.3Very high94.8Very high64 Ų6448.9 Ų48.930%0.29629%0.291SS..G310 helixtrans-92.9-11.1178.3-66.3134.6000113.4C8 A10 Y29 H30 P31 T35C8-H33 PolarHBondContact SG-ND1 2.88Å; C8-H33 VanDerWaalsContact SG-ND1 3.45Å; A10-H33 HydrophobicContact CB-CB 3.65Å; Y29-H33 HydrophobicContact CD1-CB 4.48Å; H30-H33 HydrophobicContact CB-CB 4.49Å; H30-H33 AromaticContact CG-ND1 3.71Å; H30-H33 AromaticContact ND1-CE1 3.4Å; H30-H33 PolarHBondContact ND1-CE1 3.27Å; H30-H33 AromaticContact ND1-ND1 3.14Å; H30-H33 PolarHBondContact ND1-ND1 3.26Å; H30-H33 VanDerWaalsContact ND1-ND1 3.14Å; H30-H33 WeakPolarHBondContact O-CA 3.47Å; H30-H33 PolarHBondContact O-N 3.32Å; P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 3.07Å; H33-T35 VanDerWaalsContact C-N 3.27Å; H33-T35 PolarHBondContact O-N 3.3Å
34F96.4Very high94.8Very high6 Ų650 Ų503%0.02630%0.302CS..  trans-85.570.7176.8-158-112.7000110.9V21 D23 Y29 H30 P31 I43 A44 Y49 I57V21-F34 HydrophobicContact CG2-CB 3.45Å; V21-F34 VanDerWaalsContact CG2-CB 3.45Å; V21-F34 HydrophobicContact CG2-CD1 3.87Å; V21-F34 HydrophobicContact CG2-CD2 3.74Å; V21-F34 HydrophobicContact CG2-CE2 4.46Å; V21-F34 HydrophobicContact CG2-CG 3.41Å; V21-F34 VanDerWaalsContact CG2-CG 3.41Å; D23-F34 HydrophobicContact CB-CE2 3.79Å; D23-F34 HydrophobicContact CB-CZ 4.15Å; Y29-F34 AromaticContact CD2-CD2 3.64Å; Y29-F34 HydrophobicContact CD2-CD2 3.64Å; Y29-F34 AromaticContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CD2-CE2 3.97Å; Y29-F34 HydrophobicContact CE2-CD2 4.28Å; Y29-F34 HydrophobicContact CE2-CE2 4.27Å; Y29-F34 AromaticContact CG-CD2 3.8Å; Y29-F34 HydrophobicContact CG-CD2 3.8Å; H30-F34 PolarHBondContact O-N 3Å; P31-F34 PolarHBondContact O-N 2.89Å; F34-I43 HydrophobicContact CD1-CB 3.76Å; F34-I43 HydrophobicContact CD1-CG2 3.82Å; F34-I43 HydrophobicContact CE1-CB 3.97Å; F34-I43 HydrophobicContact CE1-CG2 3.48Å; F34-I43 VanDerWaalsContact CE1-CG2 3.48Å; F34-I43 HydrophobicContact CZ-CG2 4.49Å; F34-I43 PolarHBondContact O-N 3.16Å; F34-A44 HydrophobicContact CB-CB 4.29Å; F34-A44 HydrophobicContact CD1-CB 4.49Å; F34-Y49 HydrophobicContact CE1-CD1 4.06Å; F34-Y49 AromaticContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CG 4.44Å; F34-Y49 HydrophobicContact CZ-CD1 4.21Å; F34-Y49 HydrophobicContact CZ-CD2 4.12Å; F34-Y49 AromaticContact CZ-CE1 3.83Å; F34-Y49 HydrophobicContact CZ-CE1 3.83Å; F34-Y49 AromaticContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CG 4.35Å; F34-Y49 AromaticContact CZ-CZ 3.58Å; F34-I57 HydrophobicContact CD2-CD1 3.36Å; F34-I57 HydrophobicContact CD2-CG1 4.46Å; F34-I57 HydrophobicContact CE2-CD1 3.34Å; F34-I57 HydrophobicContact CE2-CG1 4.03Å; F34-I57 HydrophobicContact CE2-CG2 4.41Å; F34-I57 HydrophobicContact CG-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CG2 4.4Å
35T97.1Very high94.7Very high44 Ų4448.6 Ų48.627%0.2730%0.301SS..BIsolated β-bridgetrans-124.4153-172.756.30000112E32 H33 S37 K41 N42E32-T35 WeakPolarHBondContact O-CG2 3.34Å; H33-T35 VanDerWaalsContact C-N 3.27Å; H33-T35 PolarHBondContact O-N 3.3Å; T35-S37 PolarHBondContact O-N 3.38Å; T35-K41 CarbonylContact C-O 3.45Å; T35-K41 VanDerWaalsContact CA-O 3.24Å; T35-K41 WeakPolarHBondContact CA-O 3.16Å; T35-N42 HydrophobicContact CG2-CB 4.29Å
36C97Very high94.4Very high1 Ų147 Ų471%0.00731%0.31CS..  trans-62.9123.1172.8177.20000110V38 C39 G40 K41 I43 I57 C59 C62C36-V38 PolarHBondContact O-N 2.89Å; C36-C39 VanDerWaalsContact CB-SG 3.57Å; C36-G40 VanDerWaalsContact O-CA 3.3Å; C36-G40 WeakPolarHBondContact O-CA 3.33Å; C36-G40 PolarHBondContact O-N 3.38Å; C36-K41 HydrophobicContact CB-CB 4.28Å; C36-K41 PolarHBondContact N-O 3.01Å; C36-I43 HydrophobicContact CB-CD1 4.09Å; C36-I57 CarbonylContact C-O 3.48Å; C36-I57 WeakPolarHBondContact CA-O 3.47Å; C36-C59 HydrophobicContact CB-CB 4.13Å; C36-C59 PolarHBondContact SG-N 2.92Å; C36-C59 VanDerWaalsContact SG-N 3.39Å; C36-C62 VanDerWaalsContact SG-SG 3.7Å
37S95.2Very high94.4Very high74 Ų7449.3 Ų49.352%0.51731%0.307SS..THydrogen-bonded Turntrans-66.6-5.3-178.584.80000114.4T35 I57 L58T35-S37 PolarHBondContact O-N 3.38Å; S37-I57 PolarHBondContact N-O 3.07Å; S37-L58 WeakPolarHBondContact OG-CD2 3.35Å
38V93.4Very high94.5Very high86 Ų8653.3 Ų53.352%0.52133%0.331SS..THydrogen-bonded Turntrans-107.1-47.9-178.3175.30000111.4C36 L58 C62C36-V38 PolarHBondContact O-N 2.89Å; V38-L58 HydrophobicContact CB-CD2 4.41Å; V38-L58 HydrophobicContact CG2-CD2 3.49Å; V38-L58 VanDerWaalsContact CG2-CD2 3.49Å; V38-C62 HydrophobicContact CB-CB 4.09Å; V38-C62 HydrophobicContact CG1-CB 4.34Å; V38-C62 HydrophobicContact CG2-CB 4.45Å
39C95.1Very high94.6Very high74 Ų7455.5 Ų55.550%0.534%0.338SS..THydrogen-bonded Turntrans-112.7-6.5-174.768.10000114.3C36 K41 C62C36-C39 VanDerWaalsContact CB-SG 3.57Å; C39-K41 PolarHBondContact O-N 3.34Å; C39-K41 VanDerWaalsContact SG-CB 3.55Å; C39-C62 VanDerWaalsContact SG-SG 3.69Å
40G95.5Very high94.6Very high47 Ų4759.3 Ų59.349%0.48536%0.355SS..  trans73.83.3-178.100000115C36 N42C36-G40 VanDerWaalsContact O-CA 3.3Å; C36-G40 WeakPolarHBondContact O-CA 3.33Å; C36-G40 PolarHBondContact O-N 3.38Å; G40-N42 PolarHBondContact O-N 3.46Å
41K96.6Very high94.6Very high67 Ų6760 Ų6029%0.29136%0.359SS..  trans-53125.8176-177.7179.5-179.6-1730109.5T35 C36 C39 I43 C59T35-K41 CarbonylContact C-O 3.45Å; T35-K41 VanDerWaalsContact CA-O 3.24Å; T35-K41 WeakPolarHBondContact CA-O 3.16Å; C36-K41 HydrophobicContact CB-CB 4.28Å; C36-K41 PolarHBondContact N-O 3.01Å; C39-K41 PolarHBondContact O-N 3.34Å; C39-K41 VanDerWaalsContact SG-CB 3.55Å; K41-I43 PolarHBondContact O-N 3.01Å; K41-C59 HydrophobicContact CD-CB 4.24Å
42N96.4Very high94.5Very high63 Ų6359.1 Ų59.134%0.33736%0.356SS..BIsolated β-bridgetrans-71.1125.4172.3-170.8-57.1000109.6P31 T35 G40 A44 F47P31-N42 PolarHBondContact O-ND2 3.29Å; T35-N42 HydrophobicContact CG2-CB 4.29Å; G40-N42 PolarHBondContact O-N 3.46Å; N42-A44 VanDerWaalsContact OD1-CB 3.24Å; N42-A44 WeakPolarHBondContact OD1-CB 3.32Å; N42-A44 PolarHBondContact OD1-N 2.96Å; N42-F47 VanDerWaalsContact O-CD2 3.31Å; N42-F47 WeakPolarHBondContact O-CD2 3.49Å
43I96.3Very high94.2Very high2 Ų260.8 Ų60.81%0.0137%0.368CS..  trans-102.3-16-175.2-64.7163.8000110.7F34 C36 K41 A45 G46 F47 Y49 I57 C59F34-I43 HydrophobicContact CD1-CB 3.76Å; F34-I43 HydrophobicContact CD1-CG2 3.82Å; F34-I43 HydrophobicContact CE1-CB 3.97Å; F34-I43 HydrophobicContact CE1-CG2 3.48Å; F34-I43 VanDerWaalsContact CE1-CG2 3.48Å; F34-I43 HydrophobicContact CZ-CG2 4.49Å; F34-I43 PolarHBondContact O-N 3.16Å; C36-I43 HydrophobicContact CB-CD1 4.09Å; K41-I43 PolarHBondContact O-N 3.01Å; I43-A45 PolarHBondContact O-N 2.92Å; I43-G46 PolarHBondContact O-N 2.88Å; I43-G46 VanDerWaalsContact O-N 3.07Å; I43-F47 WeakPolarHBondContact CG2-O 3.48Å; I43-F47 PolarHBondContact O-N 2.84Å; I43-Y49 HydrophobicContact CG2-CD1 3.5Å; I43-Y49 VanDerWaalsContact CG2-CD1 3.5Å; I43-Y49 HydrophobicContact CG2-CE1 4.42Å; I43-Y49 HydrophobicContact CG2-CG 3.76Å; I43-I57 HydrophobicContact CD1-CG2 3.41Å; I43-I57 VanDerWaalsContact CD1-CG2 3.41Å; I43-C59 HydrophobicContact CD1-CB 4.37Å
44A93.4Very high94Very high32 Ų3265.6 Ų65.626%0.26440%0.396SS..THydrogen-bonded Turntrans-57.9-23.1-177.100000113.3V21 P31 F34 N42 G46V21-A44 HydrophobicContact CG1-CB 3.96Å; P31-A44 HydrophobicContact CB-CB 3.95Å; F34-A44 HydrophobicContact CB-CB 4.29Å; F34-A44 HydrophobicContact CD1-CB 4.49Å; N42-A44 VanDerWaalsContact OD1-CB 3.24Å; N42-A44 WeakPolarHBondContact OD1-CB 3.32Å; N42-A44 PolarHBondContact OD1-N 2.96Å; A44-G46 PolarHBondContact O-N 3.31Å; A44-G46 VanDerWaalsContact O-N 3.08Å
45A90Very high93.8Very high81 Ų8169.7 Ų69.767%0.66942%0.418SS*.THydrogen-bonded Turntrans-73.816.517500000114.9I43 F47I43-A45 PolarHBondContact O-N 2.92Å; A45-F47 HydrophobicContact CB-CD2 4.11Å; A45-F47 HydrophobicContact CB-CE2 3.85Å
46G88Confident93.6Very high71 Ų7168.9 Ų68.973%0.73241%0.414SS*.THydrogen-bonded Turntrans83.223.6176.800000114.9I43 A44I43-G46 PolarHBondContact O-N 2.88Å; I43-G46 VanDerWaalsContact O-N 3.07Å; A44-G46 PolarHBondContact O-N 3.31Å; A44-G46 VanDerWaalsContact O-N 3.08Å
47F92.3Very high93.6Very high98 Ų9869.2 Ų69.243%0.4342%0.416SS..  trans-77.8149.4172.9-66.6-72.4000111.4N42 I43 A45N42-F47 VanDerWaalsContact O-CD2 3.31Å; N42-F47 WeakPolarHBondContact O-CD2 3.49Å; I43-F47 WeakPolarHBondContact CG2-O 3.48Å; I43-F47 PolarHBondContact O-N 2.84Å; A45-F47 HydrophobicContact CB-CD2 4.11Å; A45-F47 HydrophobicContact CB-CE2 3.85Å
48D95.1Very high93.6Very high120 Ų12065.8 Ų65.864%0.64239%0.392SS*.  trans-63140.2174.7-68.8-41000112.2D60D48-D60 HydrophobicContact CB-CB 4.09Å; D48-D60 PolarHBondContact O-N 3.3Å
49Y96.1Very high93.7Very high57 Ų5761.8 Ų61.822%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-149.2162.9-179.372.2-86.1000112.9D23 T24 F34 I43 I51 I57 L58D23-Y49 VanDerWaalsContact CA-OH 3.31Å; D23-Y49 WeakPolarHBondContact CA-OH 3.39Å; D23-Y49 HydrophobicContact CB-CE2 4.42Å; T24-Y49 HydrophobicContact CG2-CE2 4.34Å; T24-Y49 WeakPolarHBondContact CG2-OH 3.27Å; T24-Y49 PolarHBondContact N-OH 2.84Å; T24-Y49 VanDerWaalsContact N-OH 3.11Å; F34-Y49 HydrophobicContact CE1-CD1 4.06Å; F34-Y49 AromaticContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CE1 3.9Å; F34-Y49 HydrophobicContact CE1-CG 4.44Å; F34-Y49 HydrophobicContact CZ-CD1 4.21Å; F34-Y49 HydrophobicContact CZ-CD2 4.12Å; F34-Y49 AromaticContact CZ-CE1 3.83Å; F34-Y49 HydrophobicContact CZ-CE1 3.83Å; F34-Y49 AromaticContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CE2 3.74Å; F34-Y49 HydrophobicContact CZ-CG 4.35Å; F34-Y49 AromaticContact CZ-CZ 3.58Å; I43-Y49 HydrophobicContact CG2-CD1 3.5Å; I43-Y49 VanDerWaalsContact CG2-CD1 3.5Å; I43-Y49 HydrophobicContact CG2-CE1 4.42Å; I43-Y49 HydrophobicContact CG2-CG 3.76Å; Y49-I51 HydrophobicContact CE2-CG1 4.4Å; Y49-I57 HydrophobicContact CD2-CG2 4.17Å; Y49-I57 HydrophobicContact CG-CG2 4.49Å; Y49-L58 CarbonylContact C-O 3.54Å; Y49-L58 VanDerWaalsContact CA-O 3.28Å; Y49-L58 WeakPolarHBondContact CA-O 3.33Å; Y49-L58 WeakPolarHBondContact CB-O 3.42Å
50F95.9Very high93.7Very high90 Ų9060.8 Ų60.840%0.39536%0.357SS..EExtended strand (participates in β ladder)trans-131.2149176.7-63.8-92.3000109.9L58 D60 Y63F50-L58 PolarHBondContact N-O 2.97Å; F50-L58 PolarHBondContact O-N 3.05Å; F50-D60 HydrophobicContact CE2-CB 4.24Å; F50-Y63 HydrophobicContact CB-CD1 4.01Å; F50-Y63 HydrophobicContact CB-CD2 3.53Å; F50-Y63 HydrophobicContact CB-CE1 4.35Å; F50-Y63 HydrophobicContact CB-CE2 3.91Å; F50-Y63 HydrophobicContact CB-CG 3.58Å; F50-Y63 AromaticContact CD1-CD1 3.86Å; F50-Y63 HydrophobicContact CD1-CD1 3.86Å; F50-Y63 AromaticContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CG 4.34Å; F50-Y63 AromaticContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CE1 4.34Å; F50-Y63 AromaticContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CE1-CD1 4.23Å; F50-Y63 HydrophobicContact CE1-CE1 4.14Å; F50-Y63 AromaticContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CG 4.48Å; F50-Y63 AromaticContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD2 4.02Å; F50-Y63 AromaticContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE2 4.35Å; F50-Y63 AromaticContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CZ-CD1 4.29Å
51I94.5Very high93.5Very high44 Ų4463.1 Ų63.123%0.22636%0.358CS..EExtended strand (participates in β ladder)trans-93.4109.8170.1-59.9174.9000107.4D23 T24 L25 Y49D23-I51 HydrophobicContact CB-CD1 4.32Å; D23-I51 WeakPolarHBondContact OD2-CD1 3.35Å; T24-I51 WeakPolarHBondContact OG1-CD1 3.48Å; L25-I51 HydrophobicContact CB-CD1 4.42Å; L25-I51 HydrophobicContact CD1-CD1 3.67Å; L25-I51 HydrophobicContact CD1-CG2 4.26Å; L25-I51 HydrophobicContact CG-CD1 3.54Å; Y49-I51 HydrophobicContact CE2-CG1 4.4Å
52G91Very high93.4Very high12 Ų1260.6 Ų60.612%0.12435%0.348CS..  trans-82.1-174.7175.700000112.8N55 S56G52-N55 PolarHBondContact O-N 3.01Å; G52-S56 PolarHBondContact N-O 2.63Å
53N88.7Confident93.2Very high144 Ų14461 Ų6177%0.7735%0.346SS*.G310 helixtrans-54.3150.4174.6-61.4-4.9000111.6N55 S56N53-N55 PolarHBondContact O-N 2.76Å; N53-S56 PolarHBondContact O-N 3.22Å; N53-S56 PolarHBondContact O-OG 3.24Å
54N90.4Very high92.9Very high164 Ų16465.1 Ų65.188%0.87737%0.371SS*.G310 helixtrans54.632.8-176.4-54.3-15.8000112.6S56N54-S56 PolarHBondContact O-N 3.22Å; N54-S56 VanDerWaalsContact O-N 3.11Å
55N91.7Very high92.6Very high93 Ų9367.7 Ų67.750%0.49738%0.38SS..G310 helixtrans63.620.5171.2-77.8-0.1000114.6R27 G52 N53R27-N55 VanDerWaalsContact NH1-CB 3.34Å; R27-N55 PolarHBondContact NH1-O 2.82Å; R27-N55 VanDerWaalsContact NH1-O 3.14Å; R27-N55 PolarHBondContact NH2-O 2.88Å; G52-N55 PolarHBondContact O-N 3.01Å; N53-N55 PolarHBondContact O-N 2.76Å
56S93.6Very high92.4Very high26 Ų2669 Ų6918%0.18237%0.37CS..  trans-75.3132.7178.567.30000111.6G52 N53 N54G52-S56 PolarHBondContact N-O 2.63Å; N53-S56 PolarHBondContact O-N 3.22Å; N53-S56 PolarHBondContact O-OG 3.24Å; N54-S56 PolarHBondContact O-N 3.22Å; N54-S56 VanDerWaalsContact O-N 3.11Å
57I95.6Very high92.3Very high9 Ų971.3 Ų71.35%0.04637%0.365CS..EExtended strand (participates in β ladder)trans-80.3129.3172.8-60.8156.3000108.6Y29 F34 C36 S37 I43 Y49Y29-I57 HydrophobicContact CD1-CD1 4.39Å; Y29-I57 HydrophobicContact CD2-CD1 4.44Å; Y29-I57 HydrophobicContact CE1-CD1 4Å; Y29-I57 HydrophobicContact CE2-CD1 4.06Å; F34-I57 HydrophobicContact CD2-CD1 3.36Å; F34-I57 HydrophobicContact CD2-CG1 4.46Å; F34-I57 HydrophobicContact CE2-CD1 3.34Å; F34-I57 HydrophobicContact CE2-CG1 4.03Å; F34-I57 HydrophobicContact CE2-CG2 4.41Å; F34-I57 HydrophobicContact CG-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CD1 4.33Å; F34-I57 HydrophobicContact CZ-CG2 4.4Å; C36-I57 CarbonylContact C-O 3.48Å; C36-I57 WeakPolarHBondContact CA-O 3.47Å; S37-I57 PolarHBondContact N-O 3.07Å; I43-I57 HydrophobicContact CD1-CG2 3.41Å; I43-I57 VanDerWaalsContact CD1-CG2 3.41Å; Y49-I57 HydrophobicContact CD2-CG2 4.17Å; Y49-I57 HydrophobicContact CG-CG2 4.49Å
58L95.8Very high92Very high2 Ų267.7 Ų67.71%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-128134.2179.5-61.3170.1000108.9S37 V38 Y49 F50 Y63 K66S37-L58 WeakPolarHBondContact OG-CD2 3.35Å; V38-L58 HydrophobicContact CB-CD2 4.41Å; V38-L58 HydrophobicContact CG2-CD2 3.49Å; V38-L58 VanDerWaalsContact CG2-CD2 3.49Å; Y49-L58 CarbonylContact C-O 3.54Å; Y49-L58 VanDerWaalsContact CA-O 3.28Å; Y49-L58 WeakPolarHBondContact CA-O 3.33Å; Y49-L58 WeakPolarHBondContact CB-O 3.42Å; F50-L58 PolarHBondContact N-O 2.97Å; F50-L58 PolarHBondContact O-N 3.05Å; L58-Y63 HydrophobicContact CD1-CD2 3.99Å; L58-K66 HydrophobicContact CD1-CD 3.93Å
59C96.5Very high91.7Very high2 Ų265.6 Ų65.61%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-65.2155.7167.566.40000110.3C36 K41 I43 I61 C62 Y63C36-C59 HydrophobicContact CB-CB 4.13Å; C36-C59 PolarHBondContact SG-N 2.92Å; C36-C59 VanDerWaalsContact SG-N 3.39Å; K41-C59 HydrophobicContact CD-CB 4.24Å; I43-C59 HydrophobicContact CD1-CB 4.37Å; C59-I61 VanDerWaalsContact C-N 3.26Å; C59-I61 PolarHBondContact O-N 3.12Å; C59-C62 PolarHBondContact O-N 2.94Å; C59-C62 VanDerWaalsContact O-N 3.12Å; C59-C62 PolarHBondContact SG-N 2.8Å; C59-C62 VanDerWaalsContact SG-N 3.45Å; C59-Y63 WeakPolarHBondContact O-CB 3.43Å; C59-Y63 PolarHBondContact O-N 3.5Å
60D94Very high91.5Very high52 Ų5269.1 Ų69.128%0.27836%0.363SS..Hα-helixtrans-38.8-49.5171.366.2-36.8000114.5D48 F50 Y63 T64D48-D60 HydrophobicContact CB-CB 4.09Å; D48-D60 PolarHBondContact O-N 3.3Å; F50-D60 HydrophobicContact CE2-CB 4.24Å; D60-Y63 PolarHBondContact O-N 2.77Å; D60-T64 WeakPolarHBondContact O-CB 3.28Å; D60-T64 PolarHBondContact O-N 2.89Å; D60-T64 PolarHBondContact O-OG1 3.06Å
61I92.5Very high91.4Very high97 Ų9764.9 Ų64.950%0.49734%0.344SS..Hα-helixtrans-65.6-50.2-178.6-61.6168.8000110.6C59 Y63 T64 L65C59-I61 VanDerWaalsContact C-N 3.26Å; C59-I61 PolarHBondContact O-N 3.12Å; I61-Y63 VanDerWaalsContact C-N 3.33Å; I61-Y63 PolarHBondContact O-N 3.44Å; I61-T64 PolarHBondContact O-N 2.78Å; I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.23Å; I61-L65 PolarHBondContact O-N 3.26Å
62C93.6Very high91.3Very high13 Ų1365.5 Ų65.59%0.08835%0.345CS..Hα-helixtrans-67.9-34.3-178.6-73.50000112.3C36 V38 C39 C59 K66C36-C62 VanDerWaalsContact SG-SG 3.7Å; V38-C62 HydrophobicContact CB-CB 4.09Å; V38-C62 HydrophobicContact CG1-CB 4.34Å; V38-C62 HydrophobicContact CG2-CB 4.45Å; C39-C62 VanDerWaalsContact SG-SG 3.69Å; C59-C62 PolarHBondContact O-N 2.94Å; C59-C62 VanDerWaalsContact O-N 3.12Å; C59-C62 PolarHBondContact SG-N 2.8Å; C59-C62 VanDerWaalsContact SG-N 3.45Å; C62-K66 PolarHBondContact O-N 3.49Å; C62-K66 VanDerWaalsContact O-N 3.11Å
63Y92.7Very high91.3Very high72 Ų7268.2 Ų68.228%0.28236%0.36SS..Hα-helixtrans-64.5-49.3173.9-176.4-102.3000110.9F50 L58 C59 D60 I61 L65 K66 L67F50-Y63 HydrophobicContact CB-CD1 4.01Å; F50-Y63 HydrophobicContact CB-CD2 3.53Å; F50-Y63 HydrophobicContact CB-CE1 4.35Å; F50-Y63 HydrophobicContact CB-CE2 3.91Å; F50-Y63 HydrophobicContact CB-CG 3.58Å; F50-Y63 AromaticContact CD1-CD1 3.86Å; F50-Y63 HydrophobicContact CD1-CD1 3.86Å; F50-Y63 AromaticContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CE1 3.77Å; F50-Y63 HydrophobicContact CD1-CG 4.34Å; F50-Y63 AromaticContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CD1 3.58Å; F50-Y63 HydrophobicContact CD2-CE1 4.34Å; F50-Y63 AromaticContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CD2-CG 3.68Å; F50-Y63 HydrophobicContact CE1-CD1 4.23Å; F50-Y63 HydrophobicContact CE1-CE1 4.14Å; F50-Y63 AromaticContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CD1 3.98Å; F50-Y63 HydrophobicContact CE2-CG 4.48Å; F50-Y63 AromaticContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD1 3.52Å; F50-Y63 HydrophobicContact CG-CD2 4.02Å; F50-Y63 AromaticContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE1 3.89Å; F50-Y63 HydrophobicContact CG-CE2 4.35Å; F50-Y63 AromaticContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CG-CG 3.6Å; F50-Y63 HydrophobicContact CZ-CD1 4.29Å; L58-Y63 HydrophobicContact CD1-CD2 3.99Å; C59-Y63 WeakPolarHBondContact O-CB 3.43Å; C59-Y63 PolarHBondContact O-N 3.5Å; D60-Y63 PolarHBondContact O-N 2.77Å; I61-Y63 VanDerWaalsContact C-N 3.33Å; I61-Y63 PolarHBondContact O-N 3.44Å; Y63-L65 VanDerWaalsContact C-N 3.35Å; Y63-L65 PolarHBondContact O-N 3.38Å; Y63-K66 WeakPolarHBondContact O-CB 3.33Å; Y63-K66 PolarHBondContact O-N 2.88Å; Y63-L67 HydrophobicContact CD1-CD1 4.21Å; Y63-L67 HydrophobicContact CE1-CD1 3.67Å; Y63-L67 HydrophobicContact CE1-CG 4.4Å; Y63-L67 PolarHBondContact O-N 3.05Å
64T89.9Confident91.5Very high88 Ų8863.6 Ų63.654%0.5434%0.338SS..Hα-helixtrans-59.8-43.9177.5-56.10000111.6D60 I61 K66 L67 A68D60-T64 WeakPolarHBondContact O-CB 3.28Å; D60-T64 PolarHBondContact O-N 2.89Å; D60-T64 PolarHBondContact O-OG1 3.06Å; I61-T64 PolarHBondContact O-N 2.78Å; T64-K66 VanDerWaalsContact C-N 3.27Å; T64-K66 PolarHBondContact O-N 3.4Å; T64-L67 PolarHBondContact O-N 3.06Å; T64-L67 VanDerWaalsContact O-N 3.09Å; T64-A68 PolarHBondContact O-N 3.09Å
65L87.9Confident91.6Very high86 Ų8661.4 Ų61.445%0.4532%0.321SS..Hα-helixtrans-64.1-28.5176.1-72.8173.3000113.3I61 Y63 L67 A68 P77I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.28Å; I61-L65 WeakPolarHBondContact O-CG 3.23Å; I61-L65 PolarHBondContact O-N 3.26Å; Y63-L65 VanDerWaalsContact C-N 3.35Å; Y63-L65 PolarHBondContact O-N 3.38Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-A68 PolarHBondContact O-N 3.32Å; L65-P77 HydrophobicContact CD2-CB 4.47Å; L65-P77 WeakPolarHBondContact O-CB 3.47Å; L65-P77 VanDerWaalsContact O-CG 3.29Å; L65-P77 WeakPolarHBondContact O-CG 3.38Å
66K85.7Confident91.5Very high108 Ų10862.7 Ų62.747%0.4732%0.324SS..Hα-helixtrans-70.9-30.2173.5-84.1-172.3179.4176.80112.6L58 C62 Y63 T64L58-K66 HydrophobicContact CD1-CD 3.93Å; C62-K66 PolarHBondContact O-N 3.49Å; C62-K66 VanDerWaalsContact O-N 3.11Å; Y63-K66 WeakPolarHBondContact O-CB 3.33Å; Y63-K66 PolarHBondContact O-N 2.88Å; T64-K66 VanDerWaalsContact C-N 3.27Å; T64-K66 PolarHBondContact O-N 3.4Å
67L85.5Confident91.3Very high121 Ų12163.3 Ų63.363%0.63433%0.327SS*.Hα-helixtrans-80.4-22.6175.6-63.9179.5000112.8Y63 T64 L65Y63-L67 HydrophobicContact CD1-CD1 4.21Å; Y63-L67 HydrophobicContact CE1-CD1 3.67Å; Y63-L67 HydrophobicContact CE1-CG 4.4Å; Y63-L67 PolarHBondContact O-N 3.05Å; T64-L67 PolarHBondContact O-N 3.06Å; T64-L67 VanDerWaalsContact O-N 3.09Å; L65-L67 VanDerWaalsContact C-N 3.34Å
68A85.6Confident91Very high21 Ų2163.5 Ų63.517%0.17433%0.328CS..SBendtrans-58138.5179.600000111.3T64 L65 P77T64-A68 PolarHBondContact O-N 3.09Å; L65-A68 PolarHBondContact O-N 3.32Å; A68-P77 HydrophobicContact CB-CB 4.11Å
69P88.5Confident90.3Very high76 Ų7666.1 Ų66.149%0.49436%0.356SS..PPolyproline II helixtrans-54.3145.3174.7-24.133.5000111L78P69-L78 HydrophobicContact CB-CD1 4.16Å; P69-L78 VanDerWaalsContact O-CB 3.28Å; P69-L78 WeakPolarHBondContact O-CB 3.33Å; P69-L78 WeakPolarHBondContact O-CG 3.41Å; P69-L78 PolarHBondContact O-N 2.91Å
70K91.3Very high89.5Confident132 Ų13274.3 Ų74.357%0.57439%0.394SS*.BIsolated β-bridgetrans-99.2137.5-176.1-67.5177.9179.5-179.70111.1F72 K75 Q76K70-F72 PolarHBondContact O-N 3.23Å; K70-K75 WeakPolarHBondContact CD-O 3.44Å; K70-Q76 WeakPolarHBondContact CA-O 3.49Å
71C94Very high89Confident0 Ų081.8 Ų81.80%042%0.418CS..PPolyproline II helixtrans-56.6128.7172.9173.80000110.5T73 C74 K75 Q76 L78 Q89 H91 C94C71-T73 PolarHBondContact O-N 3.11Å; C71-C74 WeakPolarHBondContact CB-SG 3.24Å; C71-K75 VanDerWaalsContact O-CA 3.22Å; C71-K75 WeakPolarHBondContact O-CA 3.29Å; C71-K75 PolarHBondContact O-N 3.49Å; C71-Q76 PolarHBondContact N-O 3.5Å; C71-L78 HydrophobicContact CB-CD2 3.7Å; C71-L78 HydrophobicContact CB-CG 4.33Å; C71-Q89 WeakPolarHBondContact CA-O 3.21Å; C71-H91 WeakPolarHBondContact CB-CE1 3.48Å; C71-H91 WeakPolarHBondContact CB-ND1 3.2Å; C71-H91 PolarHBondContact SG-N 3.48Å; C71-H91 VanDerWaalsContact SG-N 3.44Å; C71-H91 PolarHBondContact SG-ND1 3.36Å; C71-H91 VanDerWaalsContact SG-ND1 3.38Å; C71-C94 WeakPolarHBondContact SG-CB 3.22Å
72F92.3Very high88.7Confident58 Ų5880.4 Ų80.425%0.25441%0.411SS..THydrogen-bonded Turntrans-61.3-32.9-178.2-176.7-99.9000112.5K70 K75 K88 Q89 F90 G114K70-F72 PolarHBondContact O-N 3.23Å; F72-K75 WeakPolarHBondContact O-CE 3.42Å; F72-K75 PolarHBondContact O-NZ 3.09Å; F72-K88 HydrophobicContact CB-CB 4.14Å; F72-K88 HydrophobicContact CB-CD 4.47Å; F72-K88 HydrophobicContact CD1-CD 3.83Å; F72-K88 HydrophobicContact CD2-CB 4.48Å; F72-K88 HydrophobicContact CD2-CD 3.64Å; F72-K88 HydrophobicContact CD2-CG 4.04Å; F72-K88 HydrophobicContact CE1-CD 3.88Å; F72-K88 HydrophobicContact CE2-CD 3.72Å; F72-K88 HydrophobicContact CE2-CG 4.44Å; F72-K88 HydrophobicContact CG-CB 4.26Å; F72-K88 HydrophobicContact CG-CD 3.7Å; F72-K88 HydrophobicContact CG-CG 4.22Å; F72-K88 HydrophobicContact CZ-CD 3.83Å; F72-Q89 PolarHBondContact N-O 2.84Å; F72-F90 HydrophobicContact CB-CD1 4.1Å; F72-F90 HydrophobicContact CB-CE1 3.68Å; F72-F90 HydrophobicContact CB-CZ 3.97Å; F72-F90 AromaticContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CZ 4Å; F72-F90 HydrophobicContact CG-CE1 4.17Å; F72-F90 HydrophobicContact CG-CZ 4.29Å; F72-G114 WeakPolarHBondContact CE1-O 3.32Å
73T92.3Very high88.6Confident69 Ų6981.5 Ų81.542%0.42342%0.417SS..THydrogen-bonded Turntrans-80.2-55.2-178.7-52.30000112.8C71 F90 C94C71-T73 PolarHBondContact O-N 3.11Å; T73-F90 WeakPolarHBondContact OG1-CD1 3.49Å; T73-C94 HydrophobicContact CG2-CB 4.39Å; T73-C94 PolarHBondContact OG1-O 3.2Å; T73-C94 VanDerWaalsContact OG1-O 3.05Å
74C92.7Very high88.4Confident47 Ų4784.5 Ų84.532%0.31843%0.434SS..THydrogen-bonded Turntrans-99.5-7.6-171.572.30000114.4C71 Q76 H91C71-C74 WeakPolarHBondContact CB-SG 3.24Å; C74-Q76 PolarHBondContact O-N 2.75Å; C74-Q76 VanDerWaalsContact O-N 3.09Å; C74-Q76 PolarHBondContact SG-N 2.94Å; C74-H91 PolarHBondContact SG-CE1 3.23Å; C74-H91 PolarHBondContact SG-ND1 3.14Å
75K91.7Very high88.3Confident117 Ų11780.9 Ų80.951%0.50941%0.413SS..  trans62.28.5-178.3-47.9-54.6-173.8-169.80115.5K70 C71 F72K70-K75 WeakPolarHBondContact CD-O 3.44Å; C71-K75 VanDerWaalsContact O-CA 3.22Å; C71-K75 WeakPolarHBondContact O-CA 3.29Å; C71-K75 PolarHBondContact O-N 3.49Å; F72-K75 WeakPolarHBondContact O-CE 3.42Å; F72-K75 PolarHBondContact O-NZ 3.09Å
76Q90.3Very high88.2Confident121 Ų12179.5 Ų79.557%0.56541%0.414SS*.PPolyproline II helixtrans-82.7152.5173.4-61-58.1-37.400111.3K70 C71 C74K70-Q76 WeakPolarHBondContact CA-O 3.49Å; C71-Q76 PolarHBondContact N-O 3.5Å; C74-Q76 PolarHBondContact O-N 2.75Å; C74-Q76 VanDerWaalsContact O-N 3.09Å; C74-Q76 PolarHBondContact SG-N 2.94Å
77P88.5Confident88.2Confident39 Ų3977.9 Ų77.925%0.25343%0.428SS..BIsolated β-bridgetrans-50.3139.4173.3-28.837.1000112.9L65 A68 H91L65-P77 HydrophobicContact CD2-CB 4.47Å; L65-P77 WeakPolarHBondContact O-CB 3.47Å; L65-P77 VanDerWaalsContact O-CG 3.29Å; L65-P77 WeakPolarHBondContact O-CG 3.38Å; A68-P77 HydrophobicContact CB-CB 4.11Å; P77-H91 PolarHBondContact O-CE1 3.36Å; P77-H91 PolarHBondContact O-NE2 3.5Å
78L89.7Confident88.5Confident12 Ų1275 Ų756%0.06341%0.41CS..PPolyproline II helixtrans-82.3137.6172-68.2172.3000109.8P69 C71 I82 Q89 F90P69-L78 HydrophobicContact CB-CD1 4.16Å; P69-L78 VanDerWaalsContact O-CB 3.28Å; P69-L78 WeakPolarHBondContact O-CB 3.33Å; P69-L78 WeakPolarHBondContact O-CG 3.41Å; P69-L78 PolarHBondContact O-N 2.91Å; C71-L78 HydrophobicContact CB-CD2 3.7Å; C71-L78 HydrophobicContact CB-CG 4.33Å; L78-I82 HydrophobicContact CB-CG2 3.73Å; L78-I82 HydrophobicContact CD1-CG2 4.04Å; L78-I82 HydrophobicContact CD2-CG2 3.92Å; L78-I82 HydrophobicContact CG-CG2 4.1Å; L78-Q89 HydrophobicContact CD1-CB 3.27Å; L78-Q89 HydrophobicContact CD1-CG 4.34Å; L78-F90 VanDerWaalsContact CD2-C 3.48Å
79G82.2Confident88.9Confident57 Ų5776.6 Ų76.659%0.58841%0.414SS*.  trans-94.7-145.6167.200000110.5I82G79-I82 WeakPolarHBondContact O-CG2 3.28Å
80E78.4Confident89.1Confident174 Ų17473 Ų7381%0.81339%0.391SS*.SBendtrans-74.5-39.8-175.6-61.1179.516500113.6I82E80-I82 PolarHBondContact O-N 2.85Å
81W83.1Confident89.2Confident210 Ų21068.9 Ų68.980%0.79537%0.373SS*.  trans-90.290.3-174.7-54-52.2000112.4
82I87Confident89.1Confident67 Ų6772.6 Ų72.634%0.34439%0.391SS..EExtended strand (participates in β ladder)trans-115.1151.8-178.871.4173.2000112.1L78 G79 E80 Q89 F90L78-I82 HydrophobicContact CB-CG2 3.73Å; L78-I82 HydrophobicContact CD1-CG2 4.04Å; L78-I82 HydrophobicContact CD2-CG2 3.92Å; L78-I82 HydrophobicContact CG-CG2 4.1Å; G79-I82 WeakPolarHBondContact O-CG2 3.28Å; E80-I82 PolarHBondContact O-N 2.85Å; I82-Q89 HydrophobicContact CD1-CG 4.41Å; I82-F90 WeakPolarHBondContact CA-O 3.28Å
83V90.7Very high89Confident37 Ų3778.1 Ų78.122%0.22442%0.415CS..EExtended strand (participates in β ladder)trans-111.5125.7165.5-179.80000107.8Q89 F90 E92 F95V83-Q89 WeakPolarHBondContact O-CA 3.43Å; V83-F90 PolarHBondContact N-O 2.83Å; V83-F90 PolarHBondContact O-N 3.46Å; V83-E92 HydrophobicContact CG2-CB 4.44Å; V83-E92 HydrophobicContact CG2-CG 4.15Å; V83-F95 HydrophobicContact CB-CB 4.25Å; V83-F95 HydrophobicContact CB-CD1 4.31Å; V83-F95 HydrophobicContact CB-CG 4.15Å; V83-F95 HydrophobicContact CG1-CD1 3.74Å; V83-F95 HydrophobicContact CG1-CD2 4.14Å; V83-F95 HydrophobicContact CG1-CE1 3.83Å; V83-F95 HydrophobicContact CG1-CE2 4.25Å; V83-F95 HydrophobicContact CG1-CG 3.87Å; V83-F95 HydrophobicContact CG1-CZ 4.07Å; V83-F95 HydrophobicContact CG2-CB 4.35Å; V83-F95 HydrophobicContact CG2-CD1 4.36Å; V83-F95 HydrophobicContact CG2-CG 4.48Å
84E89.4Confident89.1Confident135 Ų13576 Ų7663%0.63140%0.402SS*.EExtended strand (participates in β ladder)trans-97.8125.3170.6-170172.2132.600110K88 Q89E84-K88 WeakPolarHBondContact CA-O 3.37Å; E84-Q89 HydrophobicContact CG-CG 4.33Å
85A87.5Confident89.1Confident11 Ų1174.3 Ų74.39%0.09139%0.39CS..EExtended strand (participates in β ladder)trans-150.9132.5-179.700000110.3G87 K88 F90 F95 I109A85-G87 VanDerWaalsContact C-N 3.27Å; A85-G87 PolarHBondContact O-N 3.12Å; A85-K88 PolarHBondContact N-O 2.91Å; A85-K88 WeakPolarHBondContact O-CB 3.16Å; A85-K88 PolarHBondContact O-N 3.45Å; A85-K88 VanDerWaalsContact O-O 3.08Å; A85-F90 HydrophobicContact CB-CE2 4.16Å; A85-F95 HydrophobicContact CB-CD2 4.42Å; A85-F95 HydrophobicContact CB-CE2 3.49Å; A85-F95 VanDerWaalsContact CB-CE2 3.49Å; A85-F95 HydrophobicContact CB-CZ 3.87Å; A85-I109 HydrophobicContact CB-CD1 3.64Å
86A85.1Confident89.3Confident57 Ų5769.5 Ų69.547%0.47137%0.371SS..THydrogen-bonded Turntrans5439.6177.300000114.1K88 V111A86-K88 PolarHBondContact O-N 2.88Å; A86-V111 HydrophobicContact CB-CG2 3.56Å
87G87.6Confident89.5Confident74 Ų7463.8 Ų63.876%0.76334%0.344SS*.THydrogen-bonded Turntrans67.118.8-177.800000114.1A85A85-G87 VanDerWaalsContact C-N 3.27Å; A85-G87 PolarHBondContact O-N 3.12Å
88K90.9Very high89.7Confident60 Ų6068 Ų6826%0.26136%0.356SS..EExtended strand (participates in β ladder)trans-127.6149.8179.7-63.3170.1-171.9-56.10109.2F72 E84 A85 A86 F90 G114F72-K88 HydrophobicContact CB-CB 4.14Å; F72-K88 HydrophobicContact CB-CD 4.47Å; F72-K88 HydrophobicContact CD1-CD 3.83Å; F72-K88 HydrophobicContact CD2-CB 4.48Å; F72-K88 HydrophobicContact CD2-CD 3.64Å; F72-K88 HydrophobicContact CD2-CG 4.04Å; F72-K88 HydrophobicContact CE1-CD 3.88Å; F72-K88 HydrophobicContact CE2-CD 3.72Å; F72-K88 HydrophobicContact CE2-CG 4.44Å; F72-K88 HydrophobicContact CG-CB 4.26Å; F72-K88 HydrophobicContact CG-CD 3.7Å; F72-K88 HydrophobicContact CG-CG 4.22Å; F72-K88 HydrophobicContact CZ-CD 3.83Å; E84-K88 WeakPolarHBondContact CA-O 3.37Å; A85-K88 PolarHBondContact N-O 2.91Å; A85-K88 WeakPolarHBondContact O-CB 3.16Å; A85-K88 PolarHBondContact O-N 3.45Å; A85-K88 VanDerWaalsContact O-O 3.08Å; A86-K88 PolarHBondContact O-N 2.88Å; K88-F90 HydrophobicContact CB-CE2 3.59Å; K88-F90 HydrophobicContact CB-CZ 3.8Å; K88-F90 HydrophobicContact CD-CZ 4.33Å; K88-G114 VanDerWaalsContact CE-O 3.29Å; K88-G114 WeakPolarHBondContact CE-O 3.46Å
89Q93Very high89.8Confident55 Ų5570.1 Ų70.126%0.25738%0.375SS..EExtended strand (participates in β ladder)trans-112.3142.9179-61.2179.5-32.800110.8C71 F72 L78 I82 V83 E84C71-Q89 WeakPolarHBondContact CA-O 3.21Å; F72-Q89 PolarHBondContact N-O 2.84Å; L78-Q89 HydrophobicContact CD1-CB 3.27Å; L78-Q89 HydrophobicContact CD1-CG 4.34Å; I82-Q89 HydrophobicContact CD1-CG 4.41Å; V83-Q89 WeakPolarHBondContact O-CA 3.43Å; E84-Q89 HydrophobicContact CG-CG 4.33Å
90F93.4Very high90.4Very high2 Ų270.5 Ų70.51%0.00937%0.368CS..EExtended strand (participates in β ladder)trans-136.3147.8-173.4-57.3-96.8000110.2F72 T73 L78 I82 V83 A85 K88 F95 V116F72-F90 HydrophobicContact CB-CD1 4.1Å; F72-F90 HydrophobicContact CB-CE1 3.68Å; F72-F90 HydrophobicContact CB-CZ 3.97Å; F72-F90 AromaticContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CE1 3.77Å; F72-F90 HydrophobicContact CD1-CZ 4Å; F72-F90 HydrophobicContact CG-CE1 4.17Å; F72-F90 HydrophobicContact CG-CZ 4.29Å; T73-F90 WeakPolarHBondContact OG1-CD1 3.49Å; L78-F90 VanDerWaalsContact CD2-C 3.48Å; I82-F90 WeakPolarHBondContact CA-O 3.28Å; V83-F90 PolarHBondContact N-O 2.83Å; V83-F90 PolarHBondContact O-N 3.46Å; A85-F90 HydrophobicContact CB-CE2 4.16Å; K88-F90 HydrophobicContact CB-CE2 3.59Å; K88-F90 HydrophobicContact CB-CZ 3.8Å; K88-F90 HydrophobicContact CD-CZ 4.33Å; F90-F95 HydrophobicContact CB-CB 4.01Å; F90-F95 HydrophobicContact CB-CD2 4.4Å; F90-F95 HydrophobicContact CD1-CD2 4.49Å; F90-F95 AromaticContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CE2 4.46Å; F90-F95 HydrophobicContact CE2-CD2 4.31Å; F90-F95 HydrophobicContact CG-CB 4.46Å; F90-F95 HydrophobicContact CG-CD2 4.03Å; F90-V116 HydrophobicContact CZ-CG1 4.34Å
91H93.3Very high91.1Very high44 Ų4468.1 Ų68.120%0.20436%0.355CS..EExtended strand (participates in β ladder)trans-61.7145.6156.9-58.1106.6000108.4C71 C74 P77 K93 C94 F95C71-H91 WeakPolarHBondContact CB-CE1 3.48Å; C71-H91 WeakPolarHBondContact CB-ND1 3.2Å; C71-H91 PolarHBondContact SG-N 3.48Å; C71-H91 VanDerWaalsContact SG-N 3.44Å; C71-H91 PolarHBondContact SG-ND1 3.36Å; C71-H91 VanDerWaalsContact SG-ND1 3.38Å; C74-H91 PolarHBondContact SG-CE1 3.23Å; C74-H91 PolarHBondContact SG-ND1 3.14Å; P77-H91 PolarHBondContact O-CE1 3.36Å; P77-H91 PolarHBondContact O-NE2 3.5Å; H91-K93 PolarHBondContact O-N 3.28Å; H91-K93 VanDerWaalsContact O-N 3.12Å; H91-C94 HydrophobicContact CB-CB 3.9Å; H91-C94 CarbonylContact O-C 3.6Å; H91-C94 WeakPolarHBondContact O-CA 3.31Å; H91-C94 WeakPolarHBondContact O-CB 3.4Å; H91-C94 PolarHBondContact O-N 3.11Å; H91-F95 PolarHBondContact O-N 3.27Å
92E91.5Very high91.6Very high79 Ų7963.9 Ų63.937%0.36934%0.342SS..THydrogen-bonded Turntrans-55.5-34.1178.3-158.3-163.9-158.500113.1V83 R105V83-E92 HydrophobicContact CG2-CB 4.44Å; V83-E92 HydrophobicContact CG2-CG 4.15Å; E92-R105 IonicContact OE1-CZ 2.99Å; E92-R105 IonicContact OE1-NH1 2.62Å; E92-R105 PolarHBondContact OE1-NH1 3.22Å; E92-R105 IonicContact OE1-NH2 3.76Å; E92-R105 IonicContact OE2-CZ 3.68Å; E92-R105 IonicContact OE2-NH1 3.42Å; E92-R105 PolarHBondContact OE2-NH1 3.29Å; E92-R105 VanDerWaalsContact OE2-NH1 3.07Å; E92-R105 IonicContact OE2-NH2 2.68Å; E92-R105 PolarHBondContact OE2-NH2 3.26Å
93K91.6Very high91.9Very high174 Ų17464.2 Ų64.276%0.75734%0.344SS*.THydrogen-bonded Turntrans-77.1-21.2174.2-63.1-178.4-178.71780113.6H91 L103H91-K93 PolarHBondContact O-N 3.28Å; H91-K93 VanDerWaalsContact O-N 3.12Å; K93-L103 WeakPolarHBondContact O-CD2 3.36Å
94C93.1Very high92Very high25 Ų2562.6 Ų62.617%0.16933%0.334CS..THydrogen-bonded Turntrans-93.3-10.3178.5-70.90000113.2C71 T73 H91 S96C71-C94 WeakPolarHBondContact SG-CB 3.22Å; T73-C94 HydrophobicContact CG2-CB 4.39Å; T73-C94 PolarHBondContact OG1-O 3.2Å; T73-C94 VanDerWaalsContact OG1-O 3.05Å; H91-C94 HydrophobicContact CB-CB 3.9Å; H91-C94 CarbonylContact O-C 3.6Å; H91-C94 WeakPolarHBondContact O-CA 3.31Å; H91-C94 WeakPolarHBondContact O-CB 3.4Å; H91-C94 PolarHBondContact O-N 3.11Å; C94-S96 PolarHBondContact O-N 3.11Å
95F94.2Very high91.6Very high11 Ų1161.8 Ų61.85%0.04833%0.325CS..  trans-78.476.6173.9-172.8-121.9000110.3V83 A85 F90 H91 L104 I109 V116V83-F95 HydrophobicContact CB-CB 4.25Å; V83-F95 HydrophobicContact CB-CD1 4.31Å; V83-F95 HydrophobicContact CB-CG 4.15Å; V83-F95 HydrophobicContact CG1-CD1 3.74Å; V83-F95 HydrophobicContact CG1-CD2 4.14Å; V83-F95 HydrophobicContact CG1-CE1 3.83Å; V83-F95 HydrophobicContact CG1-CE2 4.25Å; V83-F95 HydrophobicContact CG1-CG 3.87Å; V83-F95 HydrophobicContact CG1-CZ 4.07Å; V83-F95 HydrophobicContact CG2-CB 4.35Å; V83-F95 HydrophobicContact CG2-CD1 4.36Å; V83-F95 HydrophobicContact CG2-CG 4.48Å; A85-F95 HydrophobicContact CB-CD2 4.42Å; A85-F95 HydrophobicContact CB-CE2 3.49Å; A85-F95 VanDerWaalsContact CB-CE2 3.49Å; A85-F95 HydrophobicContact CB-CZ 3.87Å; F90-F95 HydrophobicContact CB-CB 4.01Å; F90-F95 HydrophobicContact CB-CD2 4.4Å; F90-F95 HydrophobicContact CD1-CD2 4.49Å; F90-F95 AromaticContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CD2 3.91Å; F90-F95 HydrophobicContact CD2-CE2 4.46Å; F90-F95 HydrophobicContact CE2-CD2 4.31Å; F90-F95 HydrophobicContact CG-CB 4.46Å; F90-F95 HydrophobicContact CG-CD2 4.03Å; H91-F95 PolarHBondContact O-N 3.27Å; F95-L104 HydrophobicContact CD1-CB 3.86Å; F95-L104 HydrophobicContact CE1-CB 3.58Å; F95-L104 WeakPolarHBondContact CE1-O 3.47Å; F95-L104 HydrophobicContact CZ-CB 3.99Å; F95-L104 PolarHBondContact O-N 2.82Å; F95-I109 HydrophobicContact CE1-CG2 4.23Å; F95-I109 HydrophobicContact CE2-CD1 4.34Å; F95-I109 HydrophobicContact CE2-CG2 4.33Å; F95-I109 HydrophobicContact CZ-CD1 4.09Å; F95-I109 HydrophobicContact CZ-CG2 3.57Å; F95-V116 HydrophobicContact CD2-CG2 4.49Å; F95-V116 HydrophobicContact CE2-CG1 4.48Å; F95-V116 HydrophobicContact CE2-CG2 4.37Å
96S94.8Very high91.1Very high16 Ų1668 Ų6811%0.11236%0.362CS..BIsolated β-bridgetrans-134156.5-176.559.70000112.2C94 Y98 K101 K102C94-S96 PolarHBondContact O-N 3.11Å; S96-Y98 PolarHBondContact O-N 3.06Å; S96-K101 VanDerWaalsContact CB-O 3.24Å; S96-K101 WeakPolarHBondContact CB-O 3.3Å; S96-K102 CarbonylContact C-O 3.56Å; S96-K102 WeakPolarHBondContact CA-O 3.42Å; S96-K102 WeakPolarHBondContact CB-O 3.24Å
97C94.7Very high90.7Very high0 Ų068 Ų680%036%0.358CS..  trans-55.3129.3174.5-179.10000110A99 C100 K101 K102 L104 C118 D121C97-A99 PolarHBondContact O-N 3.49Å; C97-C100 WeakPolarHBondContact CB-SG 3.34Å; C97-K101 WeakPolarHBondContact O-CA 3.3Å; C97-K101 PolarHBondContact O-N 2.97Å; C97-K102 PolarHBondContact N-O 3.1Å; C97-L104 HydrophobicContact CB-CD2 4.35Å; C97-C118 HydrophobicContact CB-CB 4.22Å; C97-C118 PolarHBondContact SG-N 3.05Å; C97-D121 PolarHBondContact SG-OD2 3.39Å
98Y92.9Very high90.6Very high128 Ų12873.3 Ų73.350%0.50236%0.361SS..THydrogen-bonded Turntrans-59.2-34-179.9-175.6-98.5000112.7S96 K101 N115 V116 Y117S96-Y98 PolarHBondContact O-N 3.06Å; Y98-K101 PolarHBondContact O-NZ 2.88Å; Y98-N115 HydrophobicContact CD1-CB 4.48Å; Y98-N115 HydrophobicContact CD2-CB 4.19Å; Y98-N115 HydrophobicContact CG-CB 3.94Å; Y98-V116 PolarHBondContact N-O 3.2Å; Y98-Y117 HydrophobicContact CD1-CE1 4.15Å; Y98-Y117 WeakPolarHBondContact CD1-OH 3.31Å
99A92.5Very high90.5Very high57 Ų5772.9 Ų72.947%0.47136%0.361SS..THydrogen-bonded Turntrans-80.4-68.9178.400000112.6C97 Y117 D121C97-A99 PolarHBondContact O-N 3.49Å; A99-Y117 HydrophobicContact CB-CD1 4.18Å; A99-Y117 HydrophobicContact CB-CE1 4.15Å; A99-D121 HydrophobicContact CB-CB 3.93Å; A99-D121 WeakPolarHBondContact CB-OD2 3.22Å
100C94.2Very high90.4Very high64 Ų6472.5 Ų72.543%0.43236%0.36SS..THydrogen-bonded Turntrans-86.5-4.2-17468.60000116.3C97 K102 D121C97-C100 WeakPolarHBondContact CB-SG 3.34Å; C100-K102 PolarHBondContact O-N 2.62Å; C100-K102 WeakPolarHBondContact SG-CB 3.34Å; C100-D121 WeakPolarHBondContact CB-OD2 3.5Å; C100-D121 PolarHBondContact N-OD2 2.88Å; C100-D121 VanDerWaalsContact N-OD2 3.16Å; C100-D121 PolarHBondContact SG-OD2 2.79Å
101K93.7Very high90.3Very high125 Ų12575.5 Ų75.554%0.54338%0.379SS..  trans60.39.8-176.1-49.2-53.7-175.4-1640115.8S96 C97 Y98 L103S96-K101 VanDerWaalsContact CB-O 3.24Å; S96-K101 WeakPolarHBondContact CB-O 3.3Å; C97-K101 WeakPolarHBondContact O-CA 3.3Å; C97-K101 PolarHBondContact O-N 2.97Å; Y98-K101 PolarHBondContact O-NZ 2.88Å; K101-L103 PolarHBondContact O-N 2.68Å
102K93.1Very high90.2Very high120 Ų12077.2 Ų77.252%0.52238%0.384SS..  trans-62.5133.5171.2-179175.6176.5177.50110.9S96 C97 C100S96-K102 CarbonylContact C-O 3.56Å; S96-K102 WeakPolarHBondContact CA-O 3.42Å; S96-K102 WeakPolarHBondContact CB-O 3.24Å; C97-K102 PolarHBondContact N-O 3.1Å; C100-K102 PolarHBondContact O-N 2.62Å; C100-K102 WeakPolarHBondContact SG-CB 3.34Å
103L92.9Very high90.1Very high75 Ų7579.5 Ų79.539%0.39340%0.399SS..BIsolated β-bridgetrans-63.4135.8176.1-64.1171.5000111.1K93 K101 R105K93-L103 WeakPolarHBondContact O-CD2 3.36Å; K101-L103 PolarHBondContact O-N 2.68Å; L103-R105 HydrophobicContact CB-CG 4.41Å
104L91.9Very high90Very high2 Ų272.7 Ų72.71%0.0138%0.378CS..  trans-102.918.6-173-63.6176.6000113.9F95 C97 T106 S107 I109 V116 C118F95-L104 HydrophobicContact CD1-CB 3.86Å; F95-L104 HydrophobicContact CE1-CB 3.58Å; F95-L104 WeakPolarHBondContact CE1-O 3.47Å; F95-L104 HydrophobicContact CZ-CB 3.99Å; F95-L104 PolarHBondContact O-N 2.82Å; C97-L104 HydrophobicContact CB-CD2 4.35Å; L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.84Å; L104-S107 PolarHBondContact O-N 2.97Å; L104-I109 HydrophobicContact CB-CG2 3.77Å; L104-I109 HydrophobicContact CD1-CG2 3.77Å; L104-I109 HydrophobicContact CG-CG2 4.25Å; L104-V116 HydrophobicContact CD1-CB 4.07Å; L104-V116 HydrophobicContact CD1-CG2 3.9Å; L104-C118 HydrophobicContact CD2-CB 3.79Å
105R81.1Confident89.9Confident119 Ų11973.1 Ų73.145%0.44938%0.378SS..THydrogen-bonded Turntrans-43.8-42-169.4-69.1170.1177.3-101.6-11.5115.8E92 L103E92-R105 IonicContact OE1-CZ 2.99Å; E92-R105 IonicContact OE1-NH1 2.62Å; E92-R105 PolarHBondContact OE1-NH1 3.22Å; E92-R105 IonicContact OE1-NH2 3.76Å; E92-R105 IonicContact OE2-CZ 3.68Å; E92-R105 IonicContact OE2-NH1 3.42Å; E92-R105 PolarHBondContact OE2-NH1 3.29Å; E92-R105 VanDerWaalsContact OE2-NH1 3.07Å; E92-R105 IonicContact OE2-NH2 2.68Å; E92-R105 PolarHBondContact OE2-NH2 3.26Å; L103-R105 HydrophobicContact CB-CG 4.41Å
106T78.5Confident89.8Confident141 Ų14173 Ų7387%0.86538%0.378SS*.THydrogen-bonded Turntrans-129.84.1-176.556.50000113.3L104L104-T106 VanDerWaalsContact C-N 3.28Å; L104-T106 PolarHBondContact O-N 2.84Å
107S76.5Confident89.7Confident56 Ų5673 Ų7339%0.39238%0.376SS..SBendtrans-89145.9-176.5-63.20000110.4L104 I109L104-S107 PolarHBondContact O-N 2.97Å; S107-I109 PolarHBondContact O-N 2.91Å
108K84Confident89.7Confident186 Ų18673.6 Ų73.681%0.80938%0.38SS*.PPolyproline II helixtrans-54.9119.4165.5-73.1-176.7-179.4179.20108.5
109I89.1Confident89.6Confident51 Ų5172.8 Ų72.826%0.26238%0.381SS..PPolyproline II helixtrans-90.3147.2174.961.9163.4000110.1A85 F95 L104 S107 V116A85-I109 HydrophobicContact CB-CD1 3.64Å; F95-I109 HydrophobicContact CE1-CG2 4.23Å; F95-I109 HydrophobicContact CE2-CD1 4.34Å; F95-I109 HydrophobicContact CE2-CG2 4.33Å; F95-I109 HydrophobicContact CZ-CD1 4.09Å; F95-I109 HydrophobicContact CZ-CG2 3.57Å; L104-I109 HydrophobicContact CB-CG2 3.77Å; L104-I109 HydrophobicContact CD1-CG2 3.77Å; L104-I109 HydrophobicContact CG-CG2 4.25Å; S107-I109 PolarHBondContact O-N 2.91Å; I109-V116 HydrophobicContact CD1-CG1 4.32Å
110L92.1Very high89.6Confident47 Ų4776.7 Ų76.725%0.24639%0.389CS..EExtended strand (participates in β ladder)trans-126135.4173-65.3163.8000108.2Y117 Y122L110-Y117 PolarHBondContact N-O 3.34Å; L110-Y117 VanDerWaalsContact N-O 3.14Å; L110-Y117 PolarHBondContact O-N 3Å; L110-Y122 HydrophobicContact CB-CD1 4.05Å; L110-Y122 HydrophobicContact CB-CD2 3.37Å; L110-Y122 HydrophobicContact CB-CE1 4.35Å; L110-Y122 HydrophobicContact CB-CE2 3.74Å; L110-Y122 HydrophobicContact CB-CG 3.5Å; L110-Y122 HydrophobicContact CD1-CD1 3.35Å; L110-Y122 HydrophobicContact CD1-CD2 4.29Å; L110-Y122 HydrophobicContact CD1-CE1 3.87Å; L110-Y122 HydrophobicContact CD1-CG 3.55Å; L110-Y122 HydrophobicContact CD2-CE1 4.48Å; L110-Y122 HydrophobicContact CG-CD1 4.2Å; L110-Y122 HydrophobicContact CG-CD2 4.39Å; L110-Y122 HydrophobicContact CG-CE1 4.46Å; L110-Y122 HydrophobicContact CG-CG 4.12Å
111V91.3Very high89.5Confident66 Ų6675.4 Ų75.440%0.438%0.378SS..EExtended strand (participates in β ladder)trans-103131.4-176.1-175.10000109.4A86 N115 V116A86-V111 HydrophobicContact CB-CG2 3.56Å; V111-N115 CarbonylContact C-O 3.52Å; V111-N115 VanDerWaalsContact CA-O 3.31Å; V111-N115 WeakPolarHBondContact CA-O 3.46Å; V111-V116 HydrophobicContact CG2-CG1 4.38Å
112Y90.3Very high89.4Confident79 Ų7970.4 Ų70.431%0.3136%0.356SS..EExtended strand (participates in β ladder)trans-144.7133.2174.2-177.2-103.3000110.2G114 N115 Y117 L125Y112-G114 PolarHBondContact O-N 2.85Å; Y112-G114 VanDerWaalsContact O-N 3.1Å; Y112-N115 PolarHBondContact N-O 2.89Å; Y112-N115 PolarHBondContact O-N 3.47Å; Y112-Y117 WeakPolarHBondContact O-CE2 3.32Å; Y112-L125 HydrophobicContact CD1-CD2 3.29Å; Y112-L125 HydrophobicContact CD1-CG 4.15Å; Y112-L125 HydrophobicContact CE1-CD2 3.65Å; Y112-L125 HydrophobicContact CE1-CG 4.07Å; Y112-L125 HydrophobicContact CG-CD2 4.18Å
113N89.6Confident89.3Confident127 Ų12769.9 Ų69.968%0.67935%0.351SS*.THydrogen-bonded Turntrans47.338.1-174.8-67.8-8.3000113.8N115N113-N115 PolarHBondContact O-N 3.28Å
114G88.9Confident89.2Confident31 Ų3168.6 Ų68.632%0.3235%0.346SS..THydrogen-bonded Turntrans75.32-179.400000115.8F72 K88 Y112F72-G114 WeakPolarHBondContact CE1-O 3.32Å; K88-G114 VanDerWaalsContact CE-O 3.29Å; K88-G114 WeakPolarHBondContact CE-O 3.46Å; Y112-G114 PolarHBondContact O-N 2.85Å; Y112-G114 VanDerWaalsContact O-N 3.1Å
115N91.8Very high89.1Confident34 Ų3472.1 Ų72.118%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-106.1152.5176.9-67-51.1000111.5Y98 V111 Y112 N113 Y117Y98-N115 HydrophobicContact CD1-CB 4.48Å; Y98-N115 HydrophobicContact CD2-CB 4.19Å; Y98-N115 HydrophobicContact CG-CB 3.94Å; V111-N115 CarbonylContact C-O 3.52Å; V111-N115 VanDerWaalsContact CA-O 3.31Å; V111-N115 WeakPolarHBondContact CA-O 3.46Å; Y112-N115 PolarHBondContact N-O 2.89Å; Y112-N115 PolarHBondContact O-N 3.47Å; N113-N115 PolarHBondContact O-N 3.28Å; N115-Y117 HydrophobicContact CB-CD2 4.48Å; N115-Y117 HydrophobicContact CB-CE2 3.63Å; N115-Y117 WeakPolarHBondContact O-CD2 3.33Å; N115-Y117 WeakPolarHBondContact O-CE2 3.25Å
116V92.3Very high89.3Confident8 Ų873.3 Ų73.35%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-94.9138.6176.8-63.80000110.9F90 F95 Y98 L104 I109 V111F90-V116 HydrophobicContact CZ-CG1 4.34Å; F95-V116 HydrophobicContact CD2-CG2 4.49Å; F95-V116 HydrophobicContact CE2-CG1 4.48Å; F95-V116 HydrophobicContact CE2-CG2 4.37Å; Y98-V116 PolarHBondContact N-O 3.2Å; L104-V116 HydrophobicContact CD1-CB 4.07Å; L104-V116 HydrophobicContact CD1-CG2 3.9Å; I109-V116 HydrophobicContact CD1-CG1 4.32Å; V111-V116 HydrophobicContact CG2-CG1 4.38Å
117Y93Very high89.5Confident17 Ų1775.5 Ų75.57%0.06736%0.361CS..EExtended strand (participates in β ladder)trans-131.7152.7-178.4-64-94.1000111.3Y98 A99 L110 Y112 N115 D121 L125Y98-Y117 HydrophobicContact CD1-CE1 4.15Å; Y98-Y117 WeakPolarHBondContact CD1-OH 3.31Å; A99-Y117 HydrophobicContact CB-CD1 4.18Å; A99-Y117 HydrophobicContact CB-CE1 4.15Å; L110-Y117 PolarHBondContact N-O 3.34Å; L110-Y117 VanDerWaalsContact N-O 3.14Å; L110-Y117 PolarHBondContact O-N 3Å; Y112-Y117 WeakPolarHBondContact O-CE2 3.32Å; N115-Y117 HydrophobicContact CB-CD2 4.48Å; N115-Y117 HydrophobicContact CB-CE2 3.63Å; N115-Y117 WeakPolarHBondContact O-CD2 3.33Å; N115-Y117 WeakPolarHBondContact O-CE2 3.25Å; Y117-D121 HydrophobicContact CD1-CB 4.26Å; Y117-L125 HydrophobicContact CE1-CD2 3.88Å; Y117-L125 HydrophobicContact CE2-CD2 4.24Å
118C93.8Very high88.8Confident12 Ų1275.2 Ų75.28%0.08137%0.367CS..  trans-71.3163.9164730000110.1C97 L104 E120 D121 Y122C97-C118 HydrophobicContact CB-CB 4.22Å; C97-C118 PolarHBondContact SG-N 3.05Å; L104-C118 HydrophobicContact CD2-CB 3.79Å; C118-E120 VanDerWaalsContact C-N 3.32Å; C118-E120 PolarHBondContact O-N 3.24Å; C118-D121 PolarHBondContact O-N 2.96Å; C118-D121 PolarHBondContact SG-N 3.04Å; C118-D121 VanDerWaalsContact SG-N 3.38Å; C118-D121 PolarHBondContact SG-OD2 3.43Å; C118-D121 VanDerWaalsContact SG-OD2 3.38Å; C118-Y122 VanDerWaalsContact O-CB 3.27Å; C118-Y122 WeakPolarHBondContact O-CB 3.34Å; C118-Y122 PolarHBondContact O-N 2.87Å
119H91.5Very high87.2Confident112 Ų11270.2 Ų70.252%0.51936%0.356SS..Hα-helixtrans-53.7-47.3179.1-173.7-92.3000112.7W123H119-W123 AromaticContact CD2-CD1 3.82Å; H119-W123 AromaticContact CD2-NE1 3.44Å; H119-W123 PolarHBondContact CD2-NE1 3.2Å; H119-W123 AromaticContact CE1-CD1 3.37Å; H119-W123 AromaticContact CE1-NE1 3.37Å; H119-W123 PolarHBondContact CE1-NE1 3.28Å; H119-W123 AromaticContact CG-CD1 3.9Å; H119-W123 AromaticContact CG-NE1 4Å; H119-W123 AromaticContact ND1-CD1 3.63Å; H119-W123 AromaticContact ND1-NE1 3.95Å; H119-W123 AromaticContact NE2-CD1 3.48Å; H119-W123 AromaticContact NE2-NE1 2.98Å; H119-W123 PolarHBondContact NE2-NE1 2.87Å; H119-W123 PolarHBondContact O-N 2.9Å
120E91.1Very high85.5Confident138 Ų13872 Ų7265%0.64537%0.371SS*.Hα-helixtrans-62.6-50.8-177.2-67.5167.6-152.700112.5C118 T124C118-E120 VanDerWaalsContact C-N 3.32Å; C118-E120 PolarHBondContact O-N 3.24Å; E120-T124 WeakPolarHBondContact O-CB 3.24Å; E120-T124 PolarHBondContact O-N 2.82Å; E120-T124 PolarHBondContact O-OG1 3.46Å
121D92.9Very high83.5Confident38 Ų3878.6 Ų78.620%0.20340%0.398CS..Hα-helixtrans-70.2-37-178-72.7-29.9000111.9C97 A99 C100 Y117 C118 W123 T124 L125C97-D121 PolarHBondContact SG-OD2 3.39Å; A99-D121 HydrophobicContact CB-CB 3.93Å; A99-D121 WeakPolarHBondContact CB-OD2 3.22Å; C100-D121 WeakPolarHBondContact CB-OD2 3.5Å; C100-D121 PolarHBondContact N-OD2 2.88Å; C100-D121 VanDerWaalsContact N-OD2 3.16Å; C100-D121 PolarHBondContact SG-OD2 2.79Å; Y117-D121 HydrophobicContact CD1-CB 4.26Å; C118-D121 PolarHBondContact O-N 2.96Å; C118-D121 PolarHBondContact SG-N 3.04Å; C118-D121 VanDerWaalsContact SG-N 3.38Å; C118-D121 PolarHBondContact SG-OD2 3.43Å; C118-D121 VanDerWaalsContact SG-OD2 3.38Å; D121-W123 PolarHBondContact O-N 3.16Å; D121-T124 PolarHBondContact O-N 3.07Å; D121-L125 VanDerWaalsContact O-CB 3.27Å; D121-L125 WeakPolarHBondContact O-CB 3.03Å; D121-L125 PolarHBondContact O-N 3.08Å
122Y92.4Very high81.5Confident20 Ų2083 Ų838%0.07841%0.407CS..Hα-helixtrans-58.7-49.5176.6175.6-93.3000111.6L110 C118 T124 L125 R126L110-Y122 HydrophobicContact CB-CD1 4.05Å; L110-Y122 HydrophobicContact CB-CD2 3.37Å; L110-Y122 HydrophobicContact CB-CE1 4.35Å; L110-Y122 HydrophobicContact CB-CE2 3.74Å; L110-Y122 HydrophobicContact CB-CG 3.5Å; L110-Y122 HydrophobicContact CD1-CD1 3.35Å; L110-Y122 HydrophobicContact CD1-CD2 4.29Å; L110-Y122 HydrophobicContact CD1-CE1 3.87Å; L110-Y122 HydrophobicContact CD1-CG 3.55Å; L110-Y122 HydrophobicContact CD2-CE1 4.48Å; L110-Y122 HydrophobicContact CG-CD1 4.2Å; L110-Y122 HydrophobicContact CG-CD2 4.39Å; L110-Y122 HydrophobicContact CG-CE1 4.46Å; L110-Y122 HydrophobicContact CG-CG 4.12Å; C118-Y122 VanDerWaalsContact O-CB 3.27Å; C118-Y122 WeakPolarHBondContact O-CB 3.34Å; C118-Y122 PolarHBondContact O-N 2.87Å; Y122-T124 VanDerWaalsContact C-N 3.32Å; Y122-L125 PolarHBondContact O-N 2.99Å; Y122-R126 HydrophobicContact CD1-CG 4.08Å; Y122-R126 HydrophobicContact CE1-CG 3.77Å; Y122-R126 HydrophobicContact CE2-CG 4.21Å; Y122-R126 HydrophobicContact CG-CG 4.48Å; Y122-R126 VanDerWaalsContact CZ-NE 3.34Å; Y122-R126 WeakPolarHBondContact O-CB 3.32Å; Y122-R126 VanDerWaalsContact O-CG 3.31Å; Y122-R126 WeakPolarHBondContact O-CG 3.5Å; Y122-R126 PolarHBondContact O-N 3.45Å; Y122-R126 VanDerWaalsContact OH-CZ 3.23Å; Y122-R126 PolarHBondContact OH-NE 3.42Å; Y122-R126 PolarHBondContact OH-NH2 3.4Å
123W91.1Very high79.4Confident108 Ų10887.6 Ų87.641%0.40943%0.429SS..Hα-helixtrans-72.2-28.2178.9-69.6117.3000112.6H119 D121 R126 R127H119-W123 AromaticContact CD2-CD1 3.82Å; H119-W123 AromaticContact CD2-NE1 3.44Å; H119-W123 PolarHBondContact CD2-NE1 3.2Å; H119-W123 AromaticContact CE1-CD1 3.37Å; H119-W123 AromaticContact CE1-NE1 3.37Å; H119-W123 PolarHBondContact CE1-NE1 3.28Å; H119-W123 AromaticContact CG-CD1 3.9Å; H119-W123 AromaticContact CG-NE1 4Å; H119-W123 AromaticContact ND1-CD1 3.63Å; H119-W123 AromaticContact ND1-NE1 3.95Å; H119-W123 AromaticContact NE2-CD1 3.48Å; H119-W123 AromaticContact NE2-NE1 2.98Å; H119-W123 PolarHBondContact NE2-NE1 2.87Å; H119-W123 PolarHBondContact O-N 2.9Å; D121-W123 PolarHBondContact O-N 3.16Å; W123-R126 HydrophobicContact CE3-CB 4.46Å; W123-R127 VanDerWaalsContact O-CB 3.28Å; W123-R127 WeakPolarHBondContact O-CB 3.47Å; W123-R127 WeakPolarHBondContact O-CG 3.29Å; W123-R127 PolarHBondContact O-N 3.14Å; W123-R127 VanDerWaalsContact O-N 3.14Å; W123-R127 PolarHBondContact O-NE 3.28Å
124T90.1Very high77.4Confident49 Ų4988 Ų8830%0.30143%0.43SS..Hα-helixtrans-66.7-41.4172.3-59.40000110.8E120 D121 Y122 P130E120-T124 WeakPolarHBondContact O-CB 3.24Å; E120-T124 PolarHBondContact O-N 2.82Å; E120-T124 PolarHBondContact O-OG1 3.46Å; D121-T124 PolarHBondContact O-N 3.07Å; Y122-T124 VanDerWaalsContact C-N 3.32Å; T124-P130 HydrophobicContact CG2-CB 4.23Å; T124-P130 HydrophobicContact CG2-CG 3.97Å
125L88.6Confident75.2Confident75 Ų7593.6 Ų93.639%0.39344%0.442SS..Hα-helixtrans-68.4-47.4176.9-174.664.3000112.1Y112 Y117 D121 Y122 R127 G128Y112-L125 HydrophobicContact CD1-CD2 3.29Å; Y112-L125 HydrophobicContact CD1-CG 4.15Å; Y112-L125 HydrophobicContact CE1-CD2 3.65Å; Y112-L125 HydrophobicContact CE1-CG 4.07Å; Y112-L125 HydrophobicContact CG-CD2 4.18Å; Y117-L125 HydrophobicContact CE1-CD2 3.88Å; Y117-L125 HydrophobicContact CE2-CD2 4.24Å; D121-L125 VanDerWaalsContact O-CB 3.27Å; D121-L125 WeakPolarHBondContact O-CB 3.03Å; D121-L125 PolarHBondContact O-N 3.08Å; Y122-L125 PolarHBondContact O-N 2.99Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.22Å; L125-G128 PolarHBondContact O-N 3.26Å
126R87.2Confident73Confident144 Ų14497.5 Ų97.554%0.54347%0.47SS..Hα-helixtrans-62.6-32.8179.1-77.3-77.3-149.6142.70.3113.4Y122 W123 G128Y122-R126 HydrophobicContact CD1-CG 4.08Å; Y122-R126 HydrophobicContact CE1-CG 3.77Å; Y122-R126 HydrophobicContact CE2-CG 4.21Å; Y122-R126 HydrophobicContact CG-CG 4.48Å; Y122-R126 VanDerWaalsContact CZ-NE 3.34Å; Y122-R126 WeakPolarHBondContact O-CB 3.32Å; Y122-R126 VanDerWaalsContact O-CG 3.31Å; Y122-R126 WeakPolarHBondContact O-CG 3.5Å; Y122-R126 PolarHBondContact O-N 3.45Å; Y122-R126 VanDerWaalsContact OH-CZ 3.23Å; Y122-R126 PolarHBondContact OH-NE 3.42Å; Y122-R126 PolarHBondContact OH-NH2 3.4Å; W123-R126 HydrophobicContact CE3-CB 4.46Å; R126-G128 VanDerWaalsContact C-N 3.26Å; R126-G128 PolarHBondContact O-N 3.45Å
127R81.3Confident71Confident187 Ų187106.5 Ų106.571%0.70651%0.505SS*.THydrogen-bonded Turntrans-79.1-7.5-179.6-74.8-178.4-74.3179.5-3.2113.5W123 L125W123-R127 VanDerWaalsContact O-CB 3.28Å; W123-R127 WeakPolarHBondContact O-CB 3.47Å; W123-R127 WeakPolarHBondContact O-CG 3.29Å; W123-R127 PolarHBondContact O-N 3.14Å; W123-R127 VanDerWaalsContact O-N 3.14Å; W123-R127 PolarHBondContact O-NE 3.28Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.22Å
128G62.9Low68.9Low50 Ų50112.1 Ų112.152%0.51554%0.535SS..  trans68.4109.1-175.900000111.3L125 R126L125-G128 PolarHBondContact O-N 3.26Å; R126-G128 VanDerWaalsContact C-N 3.26Å; R126-G128 PolarHBondContact O-N 3.45Å
129S50.2Low66.5Low82 Ų82122.3 Ų122.357%0.57357%0.572SS**  trans43.1114.5166.8-1660000118.1F131S129-F131 PolarHBondContact O-N 3.13Å
130P53.4Low64.5Low87 Ų87130 Ų13057%0.56560%0.604SS**SBendtrans-7224.5-174.528.6-33000117.2T124 R132 K133T124-P130 HydrophobicContact CG2-CB 4.23Å; T124-P130 HydrophobicContact CG2-CG 3.97Å; P130-R132 PolarHBondContact O-N 2.88Å; P130-K133 PolarHBondContact O-N 2.83Å
131F49Very low63.2Low186 Ų186129.6 Ų129.682%0.81660%0.602SS**THydrogen-bonded Turntrans-70.120.9165-79.3-74.5000114.2S129S129-F131 PolarHBondContact O-N 3.13Å
132R49.9Very low61.6Low158 Ų158134.4 Ų134.460%0.59662%0.623SS**THydrogen-bonded Turntrans-11816.1168.1-72.5-166.6175.3-136.90.6115P130 L134 W135P130-R132 PolarHBondContact O-N 2.88Å; R132-L134 PolarHBondContact O-N 3.29Å; R132-W135 HydrophobicContact CB-CB 4.37Å; R132-W135 PolarHBondContact O-N 3.02Å
133K47.2Very low59.9Low177 Ų177140.7 Ų140.777%0.7765%0.653SS**THydrogen-bonded Turntrans-63.3-13.4160.5-81.4-165.5179.2-177.60113.1P130P130-K133 PolarHBondContact O-N 2.83Å
134L47.1Very low58.1Low134 Ų134142.6 Ų142.670%0.70267%0.667SS**THydrogen-bonded Turntrans-81.3-9.2169.6-78.1163.6000114.3R132R132-L134 PolarHBondContact O-N 3.29Å
135W41.5Very low56.1Low150 Ų150148.5 Ų148.557%0.56869%0.69SS**THydrogen-bonded Turntrans-89.6-24.1-176.3-151.926.8000114.4R132 Y137 L138R132-W135 HydrophobicContact CB-CB 4.37Å; R132-W135 PolarHBondContact O-N 3.02Å; W135-Y137 PolarHBondContact O-N 2.99Å; W135-L138 PolarHBondContact O-N 3.42Å
136C47.3Very low53.9Low115 Ų115153.4 Ų153.478%0.77771%0.71SS**G310 helixtrans-69.6-21.8172.3-73.90000113.1
137Y49Very low51.6Low198 Ų198154.1 Ų154.178%0.77672%0.722SS**G310 helixtrans-92.24.3179.8-69.6-74.4000114.2W135W135-Y137 PolarHBondContact O-N 2.99Å
138L48.4Very low49.3Very low134 Ų134151.5 Ų151.570%0.70272%0.723SS**G310 helixtrans-115.815.8177.8-68.9174.6000113.9W135W135-L138 PolarHBondContact O-N 3.42Å
139W43.9Very low48.1Very low227 Ų227160 Ų16086%0.8674%0.741SS**  trans-126.546.6169.3-93.964.8000111.3
140K51Low48Very low272 Ų272167.1 Ų167.1100%1.18376%0.756SS**  trans-145.10150.9-81.3-150.8176.8-168.50109.5

Retrieved 140 of 140 residues in 90.6 ms (Link to these results)