A0A077ZEK6_TRITR Loading...

Cyanocobalamin reductase (cyanide-eliminating)

AlphaFold DB , UniProt , Accession A0A077ZEK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M29.3Very low31.3Very low241 Ų241153.6 Ų153.6100%1.18780%0.804SS**  099.30-146.2-178.5-71.500106
2L28.4Very low32.8Very low154 Ų154144.8 Ų144.881%0.80676%0.763SS**  trans-64.4125.9-178.1-80.2158.7000108.9F4L2-F4 VanDerWaalsContact C-N 3.33Å; L2-F4 PolarHBondContact O-N 2.82Å
3P32.6Very low34.5Very low120 Ų120133.9 Ų133.978%0.77971%0.705SS**  trans-8678.9-178.234.8-30.9000109.2
4F32Very low36Very low167 Ų167133.3 Ų133.373%0.73270%0.702SS**  trans-112.661.6163.6-81.6-80.6000109.2L2L2-F4 VanDerWaalsContact C-N 3.33Å; L2-F4 PolarHBondContact O-N 2.82Å
5Q24.5Very low37.9Very low202 Ų202128.3 Ų128.394%0.94467%0.673SS**  trans-134.279.2166.3-74.9-166.9-13.200109.2
6G26.8Very low39.9Very low69 Ų69121.3 Ų121.371%0.71164%0.636SS**SBendtrans-156.6122.7169.100000107.4
7K26.7Very low42.1Very low209 Ų209115.4 Ų115.491%0.90961%0.611SS**  trans13.5107.2178.4-68.8-178.3177.5179.80115.3Q9K7-Q9 PolarHBondContact O-N 3.06Å
8Q29.7Very low44.6Very low199 Ų199114 Ų11493%0.9360%0.601SS**  trans-57.382.8170.5-73178.7-14.100111
9Q33.5Very low47Very low168 Ų168109.4 Ų109.479%0.78558%0.579SS**PPolyproline II helixtrans-66.6133.8140.1-89.1-177.9-23.400105.9K7 C11K7-Q9 PolarHBondContact O-N 3.06Å; Q9-C11 PolarHBondContact O-N 3.03Å
10P37.2Very low49.4Very low106 Ų106109.4 Ų109.469%0.68857%0.574SS**PPolyproline II helixtrans-55.2121.7176.121.9-30000107.7P12P10-P12 VanDerWaalsContact O-CD 3.32Å; P10-P12 WeakPolarHBondContact O-CD 3.4Å
11C43.5Very low51.6Low55 Ų55104.4 Ų104.437%0.37255%0.549SS..PPolyproline II helixtrans-54.9119.5178.7-171.40000107Q9 L13 L14Q9-C11 PolarHBondContact O-N 3.03Å; C11-L13 PolarHBondContact O-N 3.24Å; C11-L14 PolarHBondContact O-N 2.81Å; C11-L14 VanDerWaalsContact O-N 3.1Å
12P49.4Very low54.9Low48 Ų4893.6 Ų93.631%0.31250%0.495SS..THydrogen-bonded Turntrans-58.5-16.5-176.8-17.325000112.7P10 L57 F84P10-P12 VanDerWaalsContact O-CD 3.32Å; P10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-L57 WeakPolarHBondContact O-CD1 3.39Å; P12-F84 HydrophobicContact CB-CD1 3.56Å; P12-F84 HydrophobicContact CB-CE1 3.9Å; P12-F84 HydrophobicContact CG-CD1 4.47Å
13L54.5Low58.2Low3 Ų386.3 Ų86.32%0.01646%0.457CS..THydrogen-bonded Turntrans-90.14.6-176.6-46.7178.2000113.9C11 H15 L16 F88C11-L13 PolarHBondContact O-N 3.24Å; L13-H15 PolarHBondContact O-N 3.33Å; L13-L16 HydrophobicContact CB-CB 4.29Å; L13-L16 HydrophobicContact CB-CD1 4.03Å; L13-L16 HydrophobicContact CB-CG 4.39Å; L13-L16 HydrophobicContact CD2-CD1 3.37Å; L13-L16 HydrophobicContact CG-CD1 4.25Å; L13-L16 WeakPolarHBondContact O-CA 3.46Å; L13-L16 VanDerWaalsContact O-CB 3.3Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-F88 HydrophobicContact CD1-CD1 4.26Å; L13-F88 HydrophobicContact CD1-CD2 3.6Å; L13-F88 HydrophobicContact CD1-CE1 4.31Å; L13-F88 HydrophobicContact CD1-CE2 3.65Å; L13-F88 HydrophobicContact CD1-CG 3.91Å; L13-F88 HydrophobicContact CD1-CZ 4.01Å; L13-F88 HydrophobicContact CG-CD2 4.31Å
14L55.9Low61.4Low125 Ų12581 Ų8165%0.65442%0.424SS*.THydrogen-bonded Turntrans-55.4-18.7179.3-96.1154.2000114.8C11C11-L14 PolarHBondContact O-N 2.81Å; C11-L14 VanDerWaalsContact O-N 3.1Å
15H64.8Low64.5Low58 Ų5874 Ų7427%0.26939%0.393SS..THydrogen-bonded Turntrans-100.56.3177.4-55.2-49.3000113.4L13 T50 M53 N56L13-H15 PolarHBondContact O-N 3.33Å; H15-T50 PolarHBondContact O-OG1 2.89Å; H15-M53 HydrophobicContact CB-CB 4.47Å; H15-N56 WeakPolarHBondContact CD2-CB 3.5Å; H15-N56 PolarHBondContact CE1-ND2 2.76Å; H15-N56 PolarHBondContact ND1-ND2 3.11Å; H15-N56 VanDerWaalsContact NE2-CB 3.34Å; H15-N56 WeakPolarHBondContact NE2-CB 3.37Å
16L70.2Confident68Low16 Ų1664.7 Ų64.78%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-111.5143.6179.7-52.3-178.2000109.1L13 V47 I48 N49 M53 M81L13-L16 HydrophobicContact CB-CB 4.29Å; L13-L16 HydrophobicContact CB-CD1 4.03Å; L13-L16 HydrophobicContact CB-CG 4.39Å; L13-L16 HydrophobicContact CD2-CD1 3.37Å; L13-L16 HydrophobicContact CG-CD1 4.25Å; L13-L16 WeakPolarHBondContact O-CA 3.46Å; L13-L16 VanDerWaalsContact O-CB 3.3Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 3.39Å; L16-V47 HydrophobicContact CB-CG1 3.94Å; L16-V47 HydrophobicContact CD1-CG1 3.66Å; L16-V47 HydrophobicContact CG-CG1 4.3Å; L16-I48 CarbonylContact C-O 3.49Å; L16-I48 WeakPolarHBondContact CA-O 3.49Å; L16-I48 WeakPolarHBondContact CB-O 3.43Å; L16-I48 WeakPolarHBondContact CD2-O 3.46Å; L16-N49 HydrophobicContact CD2-CB 4.39Å; L16-N49 WeakPolarHBondContact CD2-OD1 3.48Å; L16-M53 HydrophobicContact CD2-CB 4.38Å; L16-M53 HydrophobicContact CD2-CG 3.87Å; L16-M81 HydrophobicContact CD1-CE 4.04Å; L16-M81 HydrophobicContact CD2-CE 4.24Å
17G76.5Confident71.4Confident21 Ų2162.6 Ų62.622%0.21632%0.322CS..EExtended strand (participates in β ladder)trans-89143168.700000109.7V47 I48G17-V47 WeakPolarHBondContact O-CA 3.41Å; G17-I48 PolarHBondContact N-O 3.17Å; G17-I48 PolarHBondContact O-N 2.88Å
18E86.7Confident74.8Confident91 Ų9158.3 Ų58.343%0.42531%0.305SS..EExtended strand (participates in β ladder)trans-121139.3178.4-66155.9177.900109.3V45 L46E18-V45 HydrophobicContact CB-CG1 4.24Å; E18-L46 VanDerWaalsContact CA-O 3.29Å; E18-L46 WeakPolarHBondContact CA-O 3.49Å
19S90.8Very high78Confident27 Ų2753.2 Ų53.219%0.18928%0.284CS..EExtended strand (participates in β ladder)trans-142.5134.4175.2-61.30000110.9V45 L46 S121 A123S19-V45 CarbonylContact O-C 3.5Å; S19-V45 WeakPolarHBondContact O-CA 3.37Å; S19-L46 PolarHBondContact N-O 3.41Å; S19-L46 PolarHBondContact O-N 3.38Å; S19-S121 WeakPolarHBondContact CB-OG 3.14Å; S19-A123 WeakPolarHBondContact OG-CB 3.46Å
20F95Very high81Confident108 Ų10845.8 Ų45.847%0.47425%0.25SC..EExtended strand (participates in β ladder)trans-94142.6-173.6-56.9-91.2000110.5L43 A44 V45 L172F20-L43 HydrophobicContact CB-CD1 4.24Å; F20-L43 HydrophobicContact CD1-CD1 4.07Å; F20-L43 HydrophobicContact CD1-CD2 4.37Å; F20-A44 CarbonylContact C-O 3.57Å; F20-V45 HydrophobicContact CD1-CG1 4.49Å; F20-V45 HydrophobicContact CD1-CG2 3.66Å; F20-V45 HydrophobicContact CE1-CG1 4.35Å; F20-V45 HydrophobicContact CE1-CG2 3.81Å; F20-L172 HydrophobicContact CB-CD2 4.33Å
21S96.5Very high83.8Confident6 Ų642.9 Ų42.94%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-153.4167.6177.558.60000111.3A44S21-A44 PolarHBondContact N-O 3.42Å; S21-A44 PolarHBondContact O-N 2.98Å; S21-A44 PolarHBondContact OG-O 2.9Å
22Q97.9Very high86.2Confident13 Ų1347 Ų476%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-97.5147.8166.8-72.1176.74.300110.6G24 W25 A40 V42 V169 L172Q22-G24 PolarHBondContact O-N 3.34Å; Q22-W25 HydrophobicContact CB-CD2 3.83Å; Q22-W25 HydrophobicContact CB-CE3 4.32Å; Q22-W25 HydrophobicContact CB-CG 4.12Å; Q22-W25 HydrophobicContact CB-CZ2 4.07Å; Q22-W25 VanDerWaalsContact CD-CZ2 3.48Å; Q22-W25 HydrophobicContact CG-CD2 4.42Å; Q22-W25 HydrophobicContact CG-CH2 4.19Å; Q22-W25 HydrophobicContact CG-CZ2 3.72Å; Q22-W25 PolarHBondContact O-N 2.9Å; Q22-A40 WeakPolarHBondContact CB-O 3.42Å; Q22-V42 WeakPolarHBondContact CA-O 3.45Å; Q22-V169 HydrophobicContact CG-CG2 4Å; Q22-V169 PolarHBondContact NE2-O 2.94Å; Q22-L172 HydrophobicContact CG-CB 4.42Å; Q22-L172 HydrophobicContact CG-CD2 4.31Å
23V98.2Very high88.5Confident1 Ų148 Ų481%0.00626%0.259CS..Hα-helixtrans-60.5-34.5174.3172.20000111.8W25 Y26 N27 L36 Y38 A40 V42 A44 F163V23-W25 VanDerWaalsContact C-N 3.34Å; V23-W25 PolarHBondContact O-N 3.36Å; V23-Y26 WeakPolarHBondContact O-CB 3.47Å; V23-Y26 PolarHBondContact O-N 3.04Å; V23-N27 PolarHBondContact O-N 2.8Å; V23-L36 HydrophobicContact CG1-CB 3.82Å; V23-L36 HydrophobicContact CG1-CD1 4.22Å; V23-Y38 HydrophobicContact CG1-CD2 4.47Å; V23-Y38 HydrophobicContact CG2-CD2 4.23Å; V23-A40 PolarHBondContact N-O 3.04Å; V23-V42 HydrophobicContact CB-CB 4.44Å; V23-V42 HydrophobicContact CG2-CB 3.9Å; V23-V42 HydrophobicContact CG2-CG1 3.87Å; V23-V42 PolarHBondContact N-O 3.04Å; V23-V42 VanDerWaalsContact N-O 3.09Å; V23-A44 HydrophobicContact CG2-CB 4.38Å; V23-F163 HydrophobicContact CG2-CD1 3.79Å; V23-F163 HydrophobicContact CG2-CE1 3.98Å
24G98.2Very high90.5Very high9 Ų950.1 Ų50.19%0.09327%0.269CS..Hα-helixtrans-55-47.1177.700000112.6Q22 Y26 N27 E28 A40Q22-G24 PolarHBondContact O-N 3.34Å; G24-Y26 VanDerWaalsContact C-N 3.28Å; G24-Y26 PolarHBondContact O-N 3.37Å; G24-N27 PolarHBondContact O-N 3.41Å; G24-N27 VanDerWaalsContact O-N 3.08Å; G24-E28 WeakPolarHBondContact O-CG 3.36Å; G24-E28 PolarHBondContact O-N 2.8Å; G24-A40 PolarHBondContact N-O 3.11Å
25W98.2Very high92.5Very high19 Ų1950.5 Ų50.57%0.07226%0.262CS..Hα-helixtrans-62-36.3-179.1-52.4-17.9000112.4Q22 V23 V120 L172 R174Q22-W25 HydrophobicContact CB-CD2 3.83Å; Q22-W25 HydrophobicContact CB-CE3 4.32Å; Q22-W25 HydrophobicContact CB-CG 4.12Å; Q22-W25 HydrophobicContact CB-CZ2 4.07Å; Q22-W25 VanDerWaalsContact CD-CZ2 3.48Å; Q22-W25 HydrophobicContact CG-CD2 4.42Å; Q22-W25 HydrophobicContact CG-CH2 4.19Å; Q22-W25 HydrophobicContact CG-CZ2 3.72Å; Q22-W25 PolarHBondContact O-N 2.9Å; V23-W25 VanDerWaalsContact C-N 3.34Å; V23-W25 PolarHBondContact O-N 3.36Å; W25-V120 HydrophobicContact CB-CB 3.98Å; W25-V120 HydrophobicContact CB-CG1 4.36Å; W25-V120 HydrophobicContact CB-CG2 4.37Å; W25-L172 HydrophobicContact CH2-CB 4.2Å; W25-L172 HydrophobicContact CH2-CD2 3.7Å; W25-L172 HydrophobicContact CH2-CG 3.78Å; W25-L172 HydrophobicContact CZ2-CB 4.49Å; W25-L172 WeakPolarHBondContact CZ2-O 3.32Å; W25-L172 HydrophobicContact CZ3-CD2 4.13Å; W25-R174 HydrophobicContact CD2-CB 4.11Å; W25-R174 HydrophobicContact CD2-CG 3.9Å; W25-R174 HydrophobicContact CE3-CB 4.15Å; W25-R174 HydrophobicContact CE3-CG 3.8Å; W25-R174 HydrophobicContact CG-CG 4.48Å; W25-R174 HydrophobicContact CH2-CB 3.82Å; W25-R174 HydrophobicContact CH2-CG 4.36Å; W25-R174 HydrophobicContact CZ2-CB 3.76Å; W25-R174 HydrophobicContact CZ2-CG 4.45Å; W25-R174 HydrophobicContact CZ3-CB 4Å; W25-R174 HydrophobicContact CZ3-CG 4.03Å
26Y98.5Very high94Very high7 Ų748.7 Ų48.73%0.02725%0.253CS..Hα-helixtrans-67.6-47.4173.4174.1-90.8000111.3V23 G24 E28 L29 V30 F34 L36 V112 L113 V116 A117V23-Y26 WeakPolarHBondContact O-CB 3.47Å; V23-Y26 PolarHBondContact O-N 3.04Å; G24-Y26 VanDerWaalsContact C-N 3.28Å; G24-Y26 PolarHBondContact O-N 3.37Å; Y26-E28 PolarHBondContact O-N 2.98Å; Y26-L29 PolarHBondContact O-N 3.08Å; Y26-L29 VanDerWaalsContact O-N 3.09Å; Y26-V30 HydrophobicContact CD1-CG1 4.4Å; Y26-V30 HydrophobicContact CD1-CG2 4.09Å; Y26-V30 HydrophobicContact CD2-CG1 4.37Å; Y26-V30 HydrophobicContact CE1-CB 4.38Å; Y26-V30 HydrophobicContact CE1-CG1 3.88Å; Y26-V30 HydrophobicContact CE1-CG2 3.66Å; Y26-V30 HydrophobicContact CE2-CG1 3.84Å; Y26-V30 PolarHBondContact O-N 2.99Å; Y26-F34 WeakPolarHBondContact CE1-O 3.32Å; Y26-L36 HydrophobicContact CD1-CD1 3.62Å; Y26-L36 HydrophobicContact CD1-CG 3.86Å; Y26-L36 HydrophobicContact CE1-CD1 3.82Å; Y26-L36 HydrophobicContact CE1-CD2 4.43Å; Y26-L36 HydrophobicContact CE1-CG 3.72Å; Y26-L36 HydrophobicContact CG-CD1 4.33Å; Y26-V112 HydrophobicContact CE2-CG1 4.11Å; Y26-L113 HydrophobicContact CE2-CB 4.23Å; Y26-L113 WeakPolarHBondContact OH-CB 3.36Å; Y26-L113 PolarHBondContact OH-N 2.91Å; Y26-V116 HydrophobicContact CD2-CB 4.04Å; Y26-V116 HydrophobicContact CD2-CG1 3.73Å; Y26-V116 HydrophobicContact CE2-CB 3.82Å; Y26-V116 HydrophobicContact CE2-CG1 3.94Å; Y26-A117 HydrophobicContact CD2-CB 4.24Å; Y26-A117 HydrophobicContact CE2-CB 4.46Å
27N98.3Very high95.3Very high25 Ų2552.9 Ų52.913%0.13429%0.291CS..Hα-helixtrans-64-25.7-178.2-80.8-9.2000114V23 G24 L29 R35 L36V23-N27 PolarHBondContact O-N 2.8Å; G24-N27 PolarHBondContact O-N 3.41Å; G24-N27 VanDerWaalsContact O-N 3.08Å; N27-L29 VanDerWaalsContact C-N 3.33Å; N27-R35 HydrophobicContact CB-CG 4.41Å; N27-R35 PolarHBondContact O-NE 3.09Å; N27-R35 VanDerWaalsContact OD1-CA 3.32Å; N27-R35 WeakPolarHBondContact OD1-CA 3.36Å; N27-L36 PolarHBondContact ND2-O 2.81Å; N27-L36 PolarHBondContact OD1-N 2.88Å
28E97.4Very high96.3Very high119 Ų11955 Ų5556%0.55629%0.293SS*.Hα-helixtrans-62.9-36.7172.2-74.6163-161.400112.7G24 Y26 R174G24-E28 WeakPolarHBondContact O-CG 3.36Å; G24-E28 PolarHBondContact O-N 2.8Å; Y26-E28 PolarHBondContact O-N 2.98Å; E28-R174 IonicContact OE2-CZ 2.75Å; E28-R174 IonicContact OE2-NH1 3.49Å; E28-R174 PolarHBondContact OE2-NH1 3.28Å
29L96.5Very high96.8Very high93 Ų9356.3 Ų56.349%0.48730%0.302SS..Hα-helixtrans-96.6-13.6-171.7-62.4-170.4000114Y26 N27 V116 V120Y26-L29 PolarHBondContact O-N 3.08Å; Y26-L29 VanDerWaalsContact O-N 3.09Å; N27-L29 VanDerWaalsContact C-N 3.33Å; L29-V116 HydrophobicContact CB-CG1 3.74Å; L29-V116 HydrophobicContact CD1-CG1 4.17Å; L29-V120 HydrophobicContact CD1-CG1 3.5Å; L29-V120 HydrophobicContact CG-CG1 4.28Å
30V97.1Very high97.1Very high11 Ų1157.5 Ų57.57%0.06731%0.314CS..SBendtrans-104.9148.8-178.2-55.40000113.1Y26 F34 R35 L113 V116Y26-V30 HydrophobicContact CD1-CG1 4.4Å; Y26-V30 HydrophobicContact CD1-CG2 4.09Å; Y26-V30 HydrophobicContact CD2-CG1 4.37Å; Y26-V30 HydrophobicContact CE1-CB 4.38Å; Y26-V30 HydrophobicContact CE1-CG1 3.88Å; Y26-V30 HydrophobicContact CE1-CG2 3.66Å; Y26-V30 HydrophobicContact CE2-CG1 3.84Å; Y26-V30 PolarHBondContact O-N 2.99Å; V30-F34 HydrophobicContact CB-CB 3.86Å; V30-F34 HydrophobicContact CG1-CB 4.46Å; V30-F34 HydrophobicContact CG2-CB 3.93Å; V30-R35 HydrophobicContact CG2-CG 4.04Å; V30-L113 HydrophobicContact CG1-CD1 4.03Å; V30-V116 HydrophobicContact CG1-CB 4.17Å; V30-V116 HydrophobicContact CG1-CG1 3.82Å; V30-V116 HydrophobicContact CG1-CG2 4.09Å
31G95.2Very high97.3Very high46 Ų4655.1 Ų55.147%0.47431%0.306SS..  trans-67.7158.7171.300000112.6P33 F34 R35G31-P33 WeakPolarHBondContact O-CD 3.24Å; G31-P33 VanDerWaalsContact O-N 3.11Å; G31-F34 PolarHBondContact O-N 3.29Å; G31-R35 PolarHBondContact O-N 3.21Å
32Q95.4Very high97.4Very high141 Ų14155 Ų5566%0.65931%0.305SS*.G310 helixtrans-36.9-51.4179.5-97-69.9-2.800116.2F34 R35Q32-F34 PolarHBondContact O-N 3.39Å; Q32-R35 PolarHBondContact O-N 3.34Å; Q32-R35 VanDerWaalsContact O-N 3.13Å
33P95.7Very high97.4Very high68 Ų6855.1 Ų55.144%0.44231%0.306SS..G310 helixtrans-63.7-17.3-177.223.9-34.5000114.4G31 R109G31-P33 WeakPolarHBondContact O-CD 3.24Å; G31-P33 VanDerWaalsContact O-N 3.11Å; P33-R109 VanDerWaalsContact CB-NH1 3.35Å; P33-R109 PolarHBondContact O-NE 3.34Å; P33-R109 VanDerWaalsContact O-NE 3.17Å; P33-R109 PolarHBondContact O-NH1 3.04Å; P33-R109 PolarHBondContact O-NH2 2.99Å
34F97.3Very high97.4Very high49 Ų4955.2 Ų55.222%0.21531%0.307CS..G310 helixtrans-104.5-5.3-179.8-63.9-76.5000113.1Y26 V30 G31 Q32 L36 R109 L113Y26-F34 WeakPolarHBondContact CE1-O 3.32Å; V30-F34 HydrophobicContact CB-CB 3.86Å; V30-F34 HydrophobicContact CG1-CB 4.46Å; V30-F34 HydrophobicContact CG2-CB 3.93Å; G31-F34 PolarHBondContact O-N 3.29Å; Q32-F34 PolarHBondContact O-N 3.39Å; F34-L36 PolarHBondContact O-N 3.24Å; F34-R109 HydrophobicContact CD1-CG 4.19Å; F34-R109 HydrophobicContact CE1-CG 3.34Å; F34-R109 HydrophobicContact CZ-CG 3.7Å; F34-L113 HydrophobicContact CB-CD1 4.24Å; F34-L113 HydrophobicContact CB-CG 4.4Å; F34-L113 HydrophobicContact CD1-CD1 4.01Å; F34-L113 HydrophobicContact CD1-CD2 3.79Å; F34-L113 HydrophobicContact CD1-CG 3.67Å; F34-L113 HydrophobicContact CD2-CD1 3.99Å; F34-L113 HydrophobicContact CE1-CD1 4.33Å; F34-L113 HydrophobicContact CE1-CD2 3.57Å; F34-L113 HydrophobicContact CE1-CG 3.99Å; F34-L113 HydrophobicContact CE2-CD1 4.33Å; F34-L113 HydrophobicContact CG-CD1 3.82Å; F34-L113 HydrophobicContact CG-CD2 4.44Å; F34-L113 HydrophobicContact CG-CG 3.97Å; F34-L113 HydrophobicContact CZ-CD1 4.48Å; F34-L113 HydrophobicContact CZ-CD2 4.08Å
35R97.9Very high97.4Very high133 Ų13355.3 Ų55.350%0.50231%0.306SS..  trans-62.3134.4177.8-74-172.3171.9-174.5-2110.6N27 V30 G31 Q32N27-R35 HydrophobicContact CB-CG 4.41Å; N27-R35 PolarHBondContact O-NE 3.09Å; N27-R35 VanDerWaalsContact OD1-CA 3.32Å; N27-R35 WeakPolarHBondContact OD1-CA 3.36Å; V30-R35 HydrophobicContact CG2-CG 4.04Å; G31-R35 PolarHBondContact O-N 3.21Å; Q32-R35 PolarHBondContact O-N 3.34Å; Q32-R35 VanDerWaalsContact O-N 3.13Å
36L97.4Very high97.3Very high19 Ų1954.5 Ų54.510%0.09930%0.303CS..  trans-85.9131.1177.5-57.8173.5000109.5V23 Y26 N27 F34 Y38 V112 F163V23-L36 HydrophobicContact CG1-CB 3.82Å; V23-L36 HydrophobicContact CG1-CD1 4.22Å; Y26-L36 HydrophobicContact CD1-CD1 3.62Å; Y26-L36 HydrophobicContact CD1-CG 3.86Å; Y26-L36 HydrophobicContact CE1-CD1 3.82Å; Y26-L36 HydrophobicContact CE1-CD2 4.43Å; Y26-L36 HydrophobicContact CE1-CG 3.72Å; Y26-L36 HydrophobicContact CG-CD1 4.33Å; N27-L36 PolarHBondContact ND2-O 2.81Å; N27-L36 PolarHBondContact OD1-N 2.88Å; F34-L36 PolarHBondContact O-N 3.24Å; L36-Y38 HydrophobicContact CB-CD2 3.95Å; L36-Y38 HydrophobicContact CB-CE2 4.39Å; L36-Y38 PolarHBondContact O-N 2.83Å; L36-V112 HydrophobicContact CD2-CG2 3.99Å; L36-F163 HydrophobicContact CD1-CE1 3.45Å; L36-F163 VanDerWaalsContact CD1-CE1 3.45Å; L36-F163 HydrophobicContact CD1-CZ 3.51Å
37A96.3Very high97.3Very high105 Ų10554.1 Ų54.187%0.86830%0.302SS*.SBendtrans-85.257-177.600000112
38Y97Very high97.2Very high66 Ų6653.1 Ų53.126%0.25930%0.296SS..SBendtrans-124.3163.7171.5-55.8-70.2000109.8V23 L36 I97 F163 P165V23-Y38 HydrophobicContact CG1-CD2 4.47Å; V23-Y38 HydrophobicContact CG2-CD2 4.23Å; L36-Y38 HydrophobicContact CB-CD2 3.95Å; L36-Y38 HydrophobicContact CB-CE2 4.39Å; L36-Y38 PolarHBondContact O-N 2.83Å; Y38-I97 HydrophobicContact CE1-CD1 4.04Å; Y38-I97 WeakPolarHBondContact OH-CD1 3.36Å; Y38-F163 HydrophobicContact CD2-CD1 4.2Å; Y38-F163 HydrophobicContact CD2-CG 4.44Å; Y38-F163 HydrophobicContact CE2-CB 4.25Å; Y38-F163 HydrophobicContact CE2-CD1 4.06Å; Y38-F163 HydrophobicContact CE2-CD2 4.26Å; Y38-F163 AromaticContact CE2-CG 3.91Å; Y38-F163 HydrophobicContact CE2-CG 3.91Å; Y38-P165 HydrophobicContact CD1-CG 4.47Å; Y38-P165 HydrophobicContact CE1-CG 4.14Å
39D97.6Very high97Very high117 Ų11747.5 Ų47.563%0.62627%0.27SS*.  trans-56.8145.6169-90.2-63.5000111.3D41 V42 L168D39-D41 PolarHBondContact O-N 3.3Å; D39-V42 HydrophobicContact CB-CG2 3.89Å; D39-V42 WeakPolarHBondContact O-CB 3.48Å; D39-V42 WeakPolarHBondContact O-CG2 3.26Å; D39-V42 PolarHBondContact O-N 2.8Å; D39-V42 VanDerWaalsContact O-N 3.11Å; D39-L168 HydrophobicContact CB-CD2 4Å
40A98.1Very high97Very high52 Ų5243.8 Ų43.843%0.4325%0.251SS..THydrogen-bonded Turntrans-58-38-176.100000111.9Q22 V23 G24 V42Q22-A40 WeakPolarHBondContact CB-O 3.42Å; V23-A40 PolarHBondContact N-O 3.04Å; G24-A40 PolarHBondContact N-O 3.11Å; A40-V42 VanDerWaalsContact C-N 3.3Å; A40-V42 PolarHBondContact O-N 3.41Å
41D98.3Very high96.9Very high59 Ų5943.3 Ų43.332%0.31625%0.248SC..THydrogen-bonded Turntrans-83.21.5-177.1-61.9-40.8000114D39 L43 L168 V169 P170D39-D41 PolarHBondContact O-N 3.3Å; D41-L43 PolarHBondContact O-N 3.46Å; D41-L168 HydrophobicContact CB-CB 4.23Å; D41-L168 HydrophobicContact CB-CD2 4.25Å; D41-L168 CarbonylContact O-C 3.49Å; D41-L168 WeakPolarHBondContact O-CA 3.26Å; D41-V169 WeakPolarHBondContact O-CG2 3.44Å; D41-V169 PolarHBondContact O-N 2.8Å; D41-P170 HydrophobicContact CB-CB 4.35Å
42V98.3Very high96.9Very high2 Ų245.9 Ų45.91%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-60.9132.1178.1164.10000110.6Q22 V23 D39 A40 A44 L168Q22-V42 WeakPolarHBondContact CA-O 3.45Å; V23-V42 HydrophobicContact CB-CB 4.44Å; V23-V42 HydrophobicContact CG2-CB 3.9Å; V23-V42 HydrophobicContact CG2-CG1 3.87Å; V23-V42 PolarHBondContact N-O 3.04Å; V23-V42 VanDerWaalsContact N-O 3.09Å; D39-V42 HydrophobicContact CB-CG2 3.89Å; D39-V42 WeakPolarHBondContact O-CB 3.48Å; D39-V42 WeakPolarHBondContact O-CG2 3.26Å; D39-V42 PolarHBondContact O-N 2.8Å; D39-V42 VanDerWaalsContact O-N 3.11Å; A40-V42 VanDerWaalsContact C-N 3.3Å; A40-V42 PolarHBondContact O-N 3.41Å; V42-A44 PolarHBondContact O-N 3.13Å; V42-L168 HydrophobicContact CG2-CD2 3.67Å
43L98.2Very high96.9Very high16 Ų1639.2 Ų39.28%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-67.1127.5174.9-176.969.6000111F20 D41 V45 F164 L167 V169 L172F20-L43 HydrophobicContact CB-CD1 4.24Å; F20-L43 HydrophobicContact CD1-CD1 4.07Å; F20-L43 HydrophobicContact CD1-CD2 4.37Å; D41-L43 PolarHBondContact O-N 3.46Å; L43-V45 HydrophobicContact CD2-CG2 4.1Å; L43-V45 HydrophobicContact CG-CG2 4.18Å; L43-F164 HydrophobicContact CB-CB 4.49Å; L43-F164 HydrophobicContact CD2-CD2 4.16Å; L43-F164 HydrophobicContact CG-CD2 4.44Å; L43-F164 PolarHBondContact O-N 3.04Å; L43-L167 HydrophobicContact CB-CD2 4.28Å; L43-L167 HydrophobicContact CB-CG 4.3Å; L43-L167 HydrophobicContact CD2-CD2 3.57Å; L43-L167 HydrophobicContact CD2-CG 4.43Å; L43-L167 PolarHBondContact N-O 3.35Å; L43-V169 HydrophobicContact CB-CG1 4.21Å; L43-V169 HydrophobicContact CB-CG2 3.96Å; L43-V169 HydrophobicContact CD1-CG1 4.36Å; L43-V169 HydrophobicContact CD1-CG2 3.89Å; L43-L172 HydrophobicContact CD1-CD2 4.26Å
44A98.3Very high96.8Very high4 Ų436.1 Ų36.13%0.03320%0.195CC..EExtended strand (participates in β ladder)trans-118132167.700000110.2F20 S21 V23 V42 V161 F162 F163F20-A44 CarbonylContact C-O 3.57Å; S21-A44 PolarHBondContact N-O 3.42Å; S21-A44 PolarHBondContact O-N 2.98Å; S21-A44 PolarHBondContact OG-O 2.9Å; V23-A44 HydrophobicContact CG2-CB 4.38Å; V42-A44 PolarHBondContact O-N 3.13Å; A44-V161 HydrophobicContact CB-CG1 3.96Å; A44-F162 CarbonylContact C-O 3.59Å; A44-F162 VanDerWaalsContact CA-O 3.26Å; A44-F162 WeakPolarHBondContact CA-O 3.37Å; A44-F163 HydrophobicContact CB-CD1 3.83Å; A44-F163 HydrophobicContact CB-CE1 3.8Å
45V97.7Very high96.6Very high10 Ų1036.5 Ų36.56%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-115.8115.4176.5-174.20000108.9E18 S19 F20 L43 V161 F162 F164E18-V45 HydrophobicContact CB-CG1 4.24Å; S19-V45 CarbonylContact O-C 3.5Å; S19-V45 WeakPolarHBondContact O-CA 3.37Å; F20-V45 HydrophobicContact CD1-CG1 4.49Å; F20-V45 HydrophobicContact CD1-CG2 3.66Å; F20-V45 HydrophobicContact CE1-CG1 4.35Å; F20-V45 HydrophobicContact CE1-CG2 3.81Å; L43-V45 HydrophobicContact CD2-CG2 4.1Å; L43-V45 HydrophobicContact CG-CG2 4.18Å; V45-V161 CarbonylContact O-C 3.6Å; V45-V161 WeakPolarHBondContact O-CA 3.35Å; V45-F162 HydrophobicContact CB-CB 4.3Å; V45-F162 PolarHBondContact N-O 3.22Å; V45-F162 PolarHBondContact O-N 2.97Å; V45-F164 HydrophobicContact CB-CE2 4.47Å; V45-F164 HydrophobicContact CG2-CD2 4.34Å; V45-F164 HydrophobicContact CG2-CE2 3.83Å
46L98Very high96.4Very high2 Ų233.6 Ų33.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-82.8138.7174.9-179.872000110.5E18 S19 I48 M114 A117 S121 A123 Y158 V161E18-L46 VanDerWaalsContact CA-O 3.29Å; E18-L46 WeakPolarHBondContact CA-O 3.49Å; S19-L46 PolarHBondContact N-O 3.41Å; S19-L46 PolarHBondContact O-N 3.38Å; L46-I48 HydrophobicContact CD2-CG2 4.38Å; L46-I48 HydrophobicContact CG-CG2 4.41Å; L46-M114 HydrophobicContact CD1-SD 4.31Å; L46-A117 HydrophobicContact CD1-CB 4.13Å; L46-S121 WeakPolarHBondContact CD2-OG 3.38Å; L46-A123 HydrophobicContact CD2-CB 3.85Å; L46-Y158 HydrophobicContact CD1-CD1 3.9Å; L46-Y158 HydrophobicContact CD1-CE1 4.44Å; L46-Y158 HydrophobicContact CD2-CD1 3.92Å; L46-Y158 HydrophobicContact CD2-CE1 3.72Å; L46-Y158 HydrophobicContact CG-CD1 4.23Å; L46-V161 HydrophobicContact CD1-CG2 3.64Å
47V96.9Very high96.2Very high0 Ų033 Ų330%019%0.193CC..EExtended strand (participates in β ladder)trans-116.7128.1176.7-175.50000109.9L16 G17 R159 A160 F162L16-V47 HydrophobicContact CB-CG1 3.94Å; L16-V47 HydrophobicContact CD1-CG1 3.66Å; L16-V47 HydrophobicContact CG-CG1 4.3Å; G17-V47 WeakPolarHBondContact O-CA 3.41Å; V47-R159 PolarHBondContact O-N 3.07Å; V47-A160 HydrophobicContact CB-CB 4.33Å; V47-A160 PolarHBondContact N-O 3.25Å; V47-A160 PolarHBondContact O-N 2.82Å; V47-F162 HydrophobicContact CG2-CD2 3.89Å; V47-F162 HydrophobicContact CG2-CE1 4.37Å; V47-F162 HydrophobicContact CG2-CE2 3.44Å; V47-F162 VanDerWaalsContact CG2-CE2 3.44Å; V47-F162 HydrophobicContact CG2-CZ 3.72Å
48I96.6Very high96.2Very high4 Ų428 Ų282%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-120.1153.217466169.2000111.7L16 G17 L46 F156 A157 Y158L16-I48 CarbonylContact C-O 3.49Å; L16-I48 WeakPolarHBondContact CA-O 3.49Å; L16-I48 WeakPolarHBondContact CB-O 3.43Å; L16-I48 WeakPolarHBondContact CD2-O 3.46Å; G17-I48 PolarHBondContact N-O 3.17Å; G17-I48 PolarHBondContact O-N 2.88Å; L46-I48 HydrophobicContact CD2-CG2 4.38Å; L46-I48 HydrophobicContact CG-CG2 4.41Å; I48-F156 HydrophobicContact CB-CD2 4.11Å; I48-F156 HydrophobicContact CD1-CD2 4.11Å; I48-F156 HydrophobicContact CG2-CD2 4.09Å; I48-F156 HydrophobicContact CG2-CE2 4.2Å; I48-A157 CarbonylContact C-O 3.51Å; I48-A157 VanDerWaalsContact CA-O 3.28Å; I48-A157 WeakPolarHBondContact CA-O 3.47Å; I48-Y158 HydrophobicContact CG2-CD1 3.56Å; I48-Y158 HydrophobicContact CG2-CE1 3.93Å
49N94.3Very high96Very high0 Ų025.3 Ų25.30%014%0.141CC..EExtended strand (participates in β ladder)trans-92126.5165.5-70.57.2000109.9L16 M53 M81 F156 A157 R159L16-N49 HydrophobicContact CD2-CB 4.39Å; L16-N49 WeakPolarHBondContact CD2-OD1 3.48Å; N49-M53 HydrophobicContact CB-CB 3.92Å; N49-M53 HydrophobicContact CB-CE 4.02Å; N49-M53 HydrophobicContact CB-CG 3.96Å; N49-M53 VanDerWaalsContact CG-CG 3.47Å; N49-M53 WeakPolarHBondContact ND2-CE 3.27Å; N49-M53 WeakPolarHBondContact ND2-CG 3.35Å; N49-M53 PolarHBondContact ND2-SD 3.08Å; N49-M81 PolarHBondContact ND2-SD 3.4Å; N49-F156 VanDerWaalsContact O-CA 3.31Å; N49-F156 WeakPolarHBondContact O-CA 3.48Å; N49-F156 VanDerWaalsContact O-CB 3.28Å; N49-F156 WeakPolarHBondContact O-CB 3.26Å; N49-A157 PolarHBondContact N-O 2.78Å; N49-A157 PolarHBondContact O-N 3.31Å; N49-R159 HydrophobicContact CB-CG 4.37Å; N49-R159 PolarHBondContact ND2-NE 3.37Å; N49-R159 WeakPolarHBondContact OD1-CG 3.35Å
50T94.9Very high95.7Very high15 Ų1522.4 Ų22.49%0.09213%0.128CC..  trans-80.8167.8163.368.90000110.1H15 K52 M53 Y152H15-T50 PolarHBondContact O-OG1 2.89Å; T50-K52 VanDerWaalsContact C-N 3.27Å; T50-K52 PolarHBondContact O-N 3.42Å; T50-M53 VanDerWaalsContact O-CB 3.28Å; T50-M53 WeakPolarHBondContact O-CB 3.34Å; T50-M53 PolarHBondContact O-N 3.34Å; T50-M53 VanDerWaalsContact O-N 3.13Å; T50-Y152 HydrophobicContact CG2-CD2 4.47Å; T50-Y152 HydrophobicContact CG2-CE2 3.63Å
51P96Very high95.5Very high2 Ų220.6 Ų20.61%0.01311%0.11CC..THydrogen-bonded Turntrans-48.6-46.7174.1-31.638.3000113.7M53 F54 Y152 W155 E211 R212 Y213 Q217P51-M53 PolarHBondContact O-N 3.09Å; P51-F54 PolarHBondContact O-N 2.94Å; P51-F54 VanDerWaalsContact O-N 3.15Å; P51-Y152 HydrophobicContact CG-CD1 4.09Å; P51-Y152 HydrophobicContact CG-CE1 4.49Å; P51-W155 WeakPolarHBondContact CD-O 3.37Å; P51-W155 HydrophobicContact CG-CB 4.33Å; P51-W155 WeakPolarHBondContact CG-O 3.06Å; P51-E211 HydrophobicContact CB-CG 3.89Å; P51-E211 HydrophobicContact CG-CB 4.19Å; P51-E211 HydrophobicContact CG-CG 3.94Å; P51-R212 WeakPolarHBondContact CB-O 3.37Å; P51-Y213 HydrophobicContact CB-CD1 3.85Å; P51-Y213 HydrophobicContact CB-CE1 4.37Å; P51-Y213 HydrophobicContact CG-CD1 3.95Å; P51-Y213 HydrophobicContact CG-CE1 4.2Å; P51-Q217 PolarHBondContact O-OE1 2.84Å
52K94.5Very high95.2Very high100 Ų10017.8 Ų17.844%0.43510%0.095SC..THydrogen-bonded Turntrans-61.7-17.5-177.6-64.3-169.4-179.7178.90115.2T50 F54 T55 N56 E211T50-K52 VanDerWaalsContact C-N 3.27Å; T50-K52 PolarHBondContact O-N 3.42Å; K52-F54 PolarHBondContact O-N 3.47Å; K52-T55 PolarHBondContact O-N 3.05Å; K52-N56 VanDerWaalsContact O-CB 3.26Å; K52-N56 WeakPolarHBondContact O-CB 3.3Å; K52-N56 PolarHBondContact O-N 2.81Å; K52-E211 WeakPolarHBondContact CE-OE1 3.42Å; K52-E211 WeakPolarHBondContact CE-OE2 3.43Å; K52-E211 WeakPolarHBondContact CG-OE1 3.32Å
53M94.9Very high94.7Very high1 Ų121 Ų211%0.00511%0.107CC..Hα-helixtrans-54.4-36.9174.7179.7-79.5-40.300111.2H15 L16 N49 T50 P51 L57 F58 I77 M81H15-M53 HydrophobicContact CB-CB 4.47Å; L16-M53 HydrophobicContact CD2-CB 4.38Å; L16-M53 HydrophobicContact CD2-CG 3.87Å; N49-M53 HydrophobicContact CB-CB 3.92Å; N49-M53 HydrophobicContact CB-CE 4.02Å; N49-M53 HydrophobicContact CB-CG 3.96Å; N49-M53 VanDerWaalsContact CG-CG 3.47Å; N49-M53 WeakPolarHBondContact ND2-CE 3.27Å; N49-M53 WeakPolarHBondContact ND2-CG 3.35Å; N49-M53 PolarHBondContact ND2-SD 3.08Å; T50-M53 VanDerWaalsContact O-CB 3.28Å; T50-M53 WeakPolarHBondContact O-CB 3.34Å; T50-M53 PolarHBondContact O-N 3.34Å; T50-M53 VanDerWaalsContact O-N 3.13Å; P51-M53 PolarHBondContact O-N 3.09Å; M53-L57 HydrophobicContact CG-CB 4.25Å; M53-L57 HydrophobicContact CG-CD1 4.5Å; M53-L57 HydrophobicContact CG-CD2 4.36Å; M53-L57 WeakPolarHBondContact O-CA 3.49Å; M53-L57 VanDerWaalsContact O-CB 3.3Å; M53-L57 WeakPolarHBondContact O-CB 3.2Å; M53-L57 PolarHBondContact O-N 3.48Å; M53-L57 HydrophobicContact SD-CD2 4.18Å; M53-F58 PolarHBondContact O-N 3Å; M53-F58 HydrophobicContact SD-CB 4.04Å; M53-I77 HydrophobicContact CE-CD1 4.28Å; M53-M81 HydrophobicContact SD-SD 4.14Å
54F95.1Very high94.2Very high3 Ų324.7 Ų24.71%0.01313%0.134CC..Iπ-helixtrans-64.6-52.9-178.1-167.8-91.1000111.6P51 K52 F58 W59 I77 R216 Q217 Y220 W235P51-F54 PolarHBondContact O-N 2.94Å; P51-F54 VanDerWaalsContact O-N 3.15Å; K52-F54 PolarHBondContact O-N 3.47Å; F54-F58 AromaticContact CD2-CD1 3.61Å; F54-F58 HydrophobicContact CD2-CD1 3.61Å; F54-F58 HydrophobicContact CD2-CE1 4.24Å; F54-F58 HydrophobicContact CD2-CG 4.39Å; F54-F58 HydrophobicContact CE1-CD1 4.29Å; F54-F58 AromaticContact CE2-CD1 3.33Å; F54-F58 HydrophobicContact CE2-CD1 3.33Å; F54-F58 AromaticContact CE2-CE1 3.5Å; F54-F58 HydrophobicContact CE2-CE1 3.5Å; F54-F58 VanDerWaalsContact CE2-CE1 3.5Å; F54-F58 HydrophobicContact CE2-CG 4.43Å; F54-F58 HydrophobicContact CG-CD1 4.22Å; F54-F58 AromaticContact CZ-CD1 3.71Å; F54-F58 HydrophobicContact CZ-CD1 3.71Å; F54-F58 AromaticContact CZ-CE1 3.71Å; F54-F58 HydrophobicContact CZ-CE1 3.71Å; F54-F58 PolarHBondContact O-N 3.33Å; F54-W59 WeakPolarHBondContact O-CB 3.35Å; F54-W59 PolarHBondContact O-N 3.23Å; F54-I77 HydrophobicContact CD2-CD1 4.27Å; F54-I77 HydrophobicContact CE2-CD1 4.4Å; F54-R216 HydrophobicContact CE1-CB 4.21Å; F54-Q217 HydrophobicContact CB-CB 3.96Å; F54-Q217 HydrophobicContact CB-CG 3.69Å; F54-Q217 HydrophobicContact CD1-CB 3.74Å; F54-Q217 HydrophobicContact CD1-CG 4.25Å; F54-Q217 HydrophobicContact CD2-CB 4.1Å; F54-Q217 HydrophobicContact CD2-CG 3.75Å; F54-Q217 HydrophobicContact CE1-CB 4.24Å; F54-Q217 HydrophobicContact CE2-CG 4.42Å; F54-Q217 HydrophobicContact CG-CB 3.66Å; F54-Q217 HydrophobicContact CG-CG 3.63Å; F54-Y220 AromaticContact CE2-CD1 3.85Å; F54-Y220 HydrophobicContact CE2-CD1 3.85Å; F54-Y220 HydrophobicContact CE2-CD2 4.25Å; F54-Y220 AromaticContact CE2-CG 3.71Å; F54-Y220 HydrophobicContact CE2-CG 3.71Å; F54-Y220 HydrophobicContact CZ-CD2 4.3Å; F54-Y220 AromaticContact CZ-CG 3.95Å; F54-Y220 HydrophobicContact CZ-CG 3.95Å; F54-W235 HydrophobicContact CE1-CZ3 4.36Å; F54-W235 HydrophobicContact CZ-CZ3 4.01Å
55T92.9Very high93.7Very high56 Ų5627.4 Ų27.434%0.34415%0.145SC..Iπ-helixtrans-73.3-36.2-175.9-300000112.4K52 P60 D214K52-T55 PolarHBondContact O-N 3.05Å; T55-P60 WeakPolarHBondContact O-CD 3.41Å; T55-D214 PolarHBondContact OG1-OD2 2.72Å
56N93.4Very high93Very high73 Ų7327.7 Ų27.739%0.3915%0.15SC..Iπ-helixtrans-98.3-21-170.5-63.4-9.4000114.4H15 K52H15-N56 WeakPolarHBondContact CD2-CB 3.5Å; H15-N56 PolarHBondContact CE1-ND2 2.76Å; H15-N56 PolarHBondContact ND1-ND2 3.11Å; H15-N56 VanDerWaalsContact NE2-CB 3.34Å; H15-N56 WeakPolarHBondContact NE2-CB 3.37Å; K52-N56 VanDerWaalsContact O-CB 3.26Å; K52-N56 WeakPolarHBondContact O-CB 3.3Å; K52-N56 PolarHBondContact O-N 2.81Å
57L93.9Very high92.1Very high7 Ų728.5 Ų28.54%0.03716%0.156CC..Iπ-helixtrans-120.8-56.6-177.3-177.4159000111.2P12 M53 P60 W61 C80 M81 F84P12-L57 WeakPolarHBondContact O-CD1 3.39Å; M53-L57 HydrophobicContact CG-CB 4.25Å; M53-L57 HydrophobicContact CG-CD1 4.5Å; M53-L57 HydrophobicContact CG-CD2 4.36Å; M53-L57 WeakPolarHBondContact O-CA 3.49Å; M53-L57 VanDerWaalsContact O-CB 3.3Å; M53-L57 WeakPolarHBondContact O-CB 3.2Å; M53-L57 PolarHBondContact O-N 3.48Å; M53-L57 HydrophobicContact SD-CD2 4.18Å; L57-P60 WeakPolarHBondContact O-CD 3.41Å; L57-W61 VanDerWaalsContact O-CB 3.26Å; L57-W61 WeakPolarHBondContact O-CB 3.31Å; L57-W61 PolarHBondContact O-N 2.85Å; L57-W61 VanDerWaalsContact O-N 3.17Å; L57-C80 WeakPolarHBondContact CD2-SG 3.41Å; L57-M81 HydrophobicContact CD2-SD 4.36Å; L57-F84 HydrophobicContact CD1-CD2 4.29Å; L57-F84 HydrophobicContact CD1-CE2 4.37Å; L57-F84 HydrophobicContact CD1-CG 4.45Å; L57-F84 HydrophobicContact CD2-CD2 3.5Å; L57-F84 HydrophobicContact CD2-CE2 3.39Å; L57-F84 HydrophobicContact CD2-CG 4.4Å; L57-F84 HydrophobicContact CD2-CZ 4.2Å; L57-F84 HydrophobicContact CG-CD2 3.97Å; L57-F84 HydrophobicContact CG-CE2 3.63Å; L57-F84 HydrophobicContact CG-CZ 3.93Å
58F94.7Very high91.1Very high0 Ų035.4 Ų35.40%019%0.193CC..Iπ-helixtrans-67.6-46.5-177171.8-110.5000112.5M53 F54 W61 L62 P76 I77 C80 Y220 L232M53-F58 PolarHBondContact O-N 3Å; M53-F58 HydrophobicContact SD-CB 4.04Å; F54-F58 AromaticContact CD2-CD1 3.61Å; F54-F58 HydrophobicContact CD2-CD1 3.61Å; F54-F58 HydrophobicContact CD2-CE1 4.24Å; F54-F58 HydrophobicContact CD2-CG 4.39Å; F54-F58 HydrophobicContact CE1-CD1 4.29Å; F54-F58 AromaticContact CE2-CD1 3.33Å; F54-F58 HydrophobicContact CE2-CD1 3.33Å; F54-F58 AromaticContact CE2-CE1 3.5Å; F54-F58 HydrophobicContact CE2-CE1 3.5Å; F54-F58 VanDerWaalsContact CE2-CE1 3.5Å; F54-F58 HydrophobicContact CE2-CG 4.43Å; F54-F58 HydrophobicContact CG-CD1 4.22Å; F54-F58 AromaticContact CZ-CD1 3.71Å; F54-F58 HydrophobicContact CZ-CD1 3.71Å; F54-F58 AromaticContact CZ-CE1 3.71Å; F54-F58 HydrophobicContact CZ-CE1 3.71Å; F54-F58 PolarHBondContact O-N 3.33Å; F58-W61 HydrophobicContact CD2-CE3 4.16Å; F58-W61 HydrophobicContact CE2-CE3 4.14Å; F58-W61 HydrophobicContact CE2-CZ3 4.11Å; F58-W61 WeakPolarHBondContact O-CB 3.17Å; F58-W61 PolarHBondContact O-N 2.91Å; F58-L62 HydrophobicContact CE1-CD2 4.46Å; F58-L62 HydrophobicContact CE2-CD1 4.26Å; F58-L62 HydrophobicContact CZ-CD1 4.13Å; F58-L62 HydrophobicContact CZ-CD2 4.26Å; F58-L62 WeakPolarHBondContact O-CB 3.45Å; F58-L62 PolarHBondContact O-N 3.47Å; F58-P76 HydrophobicContact CE2-CB 3.68Å; F58-P76 HydrophobicContact CZ-CB 3.78Å; F58-I77 HydrophobicContact CB-CD1 3.92Å; F58-I77 HydrophobicContact CD1-CD1 3.74Å; F58-I77 HydrophobicContact CD2-CD1 3.42Å; F58-I77 VanDerWaalsContact CD2-CD1 3.42Å; F58-I77 HydrophobicContact CD2-CG1 4.13Å; F58-I77 HydrophobicContact CE1-CD1 4.06Å; F58-I77 HydrophobicContact CE2-CD1 3.78Å; F58-I77 HydrophobicContact CE2-CG1 4Å; F58-I77 HydrophobicContact CG-CD1 3.39Å; F58-I77 HydrophobicContact CG-CG1 4.46Å; F58-I77 HydrophobicContact CZ-CD1 4.08Å; F58-I77 HydrophobicContact CZ-CG1 4.21Å; F58-C80 HydrophobicContact CD2-CB 3.88Å; F58-C80 HydrophobicContact CE2-CB 4.45Å; F58-Y220 HydrophobicContact CE1-CE2 4.36Å; F58-Y220 HydrophobicContact CZ-CE2 4.26Å; F58-L232 HydrophobicContact CE1-CD2 4.42Å; F58-L232 HydrophobicContact CZ-CD1 4.32Å; F58-L232 HydrophobicContact CZ-CD2 4.48Å
59W92.8Very high90.4Very high9 Ų939.5 Ų39.53%0.03421%0.214CC..Hα-helixtrans-65.3-45.1-175.9-167.1-127.3000112.9F54 L62 R63 L232 W235 I236 D239F54-W59 WeakPolarHBondContact O-CB 3.35Å; F54-W59 PolarHBondContact O-N 3.23Å; W59-L62 HydrophobicContact CE3-CB 4.46Å; W59-L62 HydrophobicContact CE3-CD2 3.81Å; W59-L62 HydrophobicContact CH2-CD2 4.12Å; W59-L62 HydrophobicContact CZ3-CD2 3.31Å; W59-L62 PolarHBondContact O-N 2.84Å; W59-R63 HydrophobicContact CZ2-CG 4.37Å; W59-R63 VanDerWaalsContact NE1-NE 3.15Å; W59-R63 WeakPolarHBondContact O-CG 3.47Å; W59-R63 PolarHBondContact O-N 3.13Å; W59-L232 HydrophobicContact CZ3-CD2 4.21Å; W59-W235 HydrophobicContact CH2-CB 3.43Å; W59-W235 VanDerWaalsContact CH2-CB 3.43Å; W59-W235 HydrophobicContact CH2-CD2 4.48Å; W59-W235 AromaticContact CH2-CE3 3.95Å; W59-W235 HydrophobicContact CH2-CE3 3.95Å; W59-W235 HydrophobicContact CH2-CG 4.37Å; W59-W235 HydrophobicContact CZ2-CB 4.06Å; W59-W235 HydrophobicContact CZ3-CB 4.28Å; W59-W235 AromaticContact CZ3-CE3 3.69Å; W59-W235 HydrophobicContact CZ3-CE3 3.69Å; W59-W235 HydrophobicContact CZ3-CZ3 4.45Å; W59-I236 HydrophobicContact CH2-CG1 4.18Å; W59-D239 VanDerWaalsContact CE2-OD2 3.28Å; W59-D239 WeakPolarHBondContact CZ2-OD2 3.35Å; W59-D239 PolarHBondContact NE1-OD2 3.33Å
60P92.1Very high89.8Confident55 Ų5539.7 Ų39.736%0.35722%0.216SC..Hα-helixtrans-62.6-41.4172.7-24.837.4000112.6T55 L57 L62 R63 S64T55-P60 WeakPolarHBondContact O-CD 3.41Å; L57-P60 WeakPolarHBondContact O-CD 3.41Å; P60-L62 PolarHBondContact O-N 3.03Å; P60-R63 PolarHBondContact O-N 3.04Å; P60-S64 PolarHBondContact O-N 3.47Å
61W93.1Very high89.2Confident15 Ų1543.6 Ų43.66%0.05724%0.236CC..Hα-helixtrans-57.9-48.7175.2174.991.3000111.1L57 F58 R63 S64 K65 I73 P76 C80 F84L57-W61 VanDerWaalsContact O-CB 3.26Å; L57-W61 WeakPolarHBondContact O-CB 3.31Å; L57-W61 PolarHBondContact O-N 2.85Å; L57-W61 VanDerWaalsContact O-N 3.17Å; F58-W61 HydrophobicContact CD2-CE3 4.16Å; F58-W61 HydrophobicContact CE2-CE3 4.14Å; F58-W61 HydrophobicContact CE2-CZ3 4.11Å; F58-W61 WeakPolarHBondContact O-CB 3.17Å; F58-W61 PolarHBondContact O-N 2.91Å; W61-R63 PolarHBondContact O-N 3.43Å; W61-S64 PolarHBondContact O-N 3.23Å; W61-S64 PolarHBondContact O-OG 3.44Å; W61-K65 HydrophobicContact CD2-CG 4.39Å; W61-K65 VanDerWaalsContact CE2-CE 3.42Å; W61-K65 HydrophobicContact CH2-CG 4.31Å; W61-K65 HydrophobicContact CZ2-CD 4.44Å; W61-K65 VanDerWaalsContact CZ2-CE 3.49Å; W61-K65 HydrophobicContact CZ2-CG 4.18Å; W61-K65 HydrophobicContact CZ3-CG 4.47Å; W61-K65 PolarHBondContact O-N 3.35Å; W61-I73 HydrophobicContact CH2-CD1 3.87Å; W61-I73 HydrophobicContact CZ3-CD1 4.46Å; W61-P76 WeakPolarHBondContact CZ3-O 3.3Å; W61-C80 HydrophobicContact CD2-CB 3.63Å; W61-C80 VanDerWaalsContact CD2-SG 3.6Å; W61-C80 HydrophobicContact CE3-CB 3.59Å; W61-C80 HydrophobicContact CG-CB 4.18Å; W61-C80 HydrophobicContact CH2-CB 4.14Å; W61-C80 HydrophobicContact CZ2-CB 4.16Å; W61-C80 HydrophobicContact CZ3-CB 3.86Å; W61-F84 HydrophobicContact CB-CE2 4.06Å; W61-F84 AromaticContact CD1-CE2 3.87Å; W61-F84 HydrophobicContact CG-CE2 4.18Å
62L91.9Very high88.7Confident0 Ų048 Ų480%027%0.272CS..Hα-helixtrans-62.4-44.4-179.7-167.378.3000111.8F58 W59 P60 S64 K65 G66 L70 P76 L232 I236F58-L62 HydrophobicContact CE1-CD2 4.46Å; F58-L62 HydrophobicContact CE2-CD1 4.26Å; F58-L62 HydrophobicContact CZ-CD1 4.13Å; F58-L62 HydrophobicContact CZ-CD2 4.26Å; F58-L62 WeakPolarHBondContact O-CB 3.45Å; F58-L62 PolarHBondContact O-N 3.47Å; W59-L62 HydrophobicContact CE3-CB 4.46Å; W59-L62 HydrophobicContact CE3-CD2 3.81Å; W59-L62 HydrophobicContact CH2-CD2 4.12Å; W59-L62 HydrophobicContact CZ3-CD2 3.31Å; W59-L62 PolarHBondContact O-N 2.84Å; P60-L62 PolarHBondContact O-N 3.03Å; L62-S64 PolarHBondContact O-N 2.88Å; L62-K65 WeakPolarHBondContact O-CB 3.19Å; L62-K65 PolarHBondContact O-N 3.1Å; L62-G66 PolarHBondContact O-N 2.93Å; L62-L70 HydrophobicContact CD1-CD2 3.56Å; L62-L70 HydrophobicContact CG-CD2 4.35Å; L62-P76 HydrophobicContact CD1-CB 4.39Å; L62-L232 HydrophobicContact CD1-CD1 4.09Å; L62-L232 HydrophobicContact CD2-CB 4.18Å; L62-L232 HydrophobicContact CD2-CD1 3.99Å; L62-L232 HydrophobicContact CD2-CD2 3.68Å; L62-L232 HydrophobicContact CD2-CG 4.15Å; L62-I236 HydrophobicContact CD2-CD1 4.06Å; L62-I236 HydrophobicContact CD2-CG1 4.31Å; L62-I236 HydrophobicContact CG-CD1 4.1Å
63R89Confident88.3Confident70 Ų7044.3 Ų44.326%0.26426%0.257SS..Hα-helixtrans-58.6-38176.7-77.4-173.4-86.1170.4-6.2111.9W59 P60 W61 K65 G66 I245W59-R63 HydrophobicContact CZ2-CG 4.37Å; W59-R63 VanDerWaalsContact NE1-NE 3.15Å; W59-R63 WeakPolarHBondContact O-CG 3.47Å; W59-R63 PolarHBondContact O-N 3.13Å; P60-R63 PolarHBondContact O-N 3.04Å; W61-R63 PolarHBondContact O-N 3.43Å; R63-K65 VanDerWaalsContact C-N 3.29Å; R63-K65 PolarHBondContact O-N 2.71Å; R63-G66 PolarHBondContact O-N 3.41Å; R63-I245 HydrophobicContact CB-CD1 4.22Å; R63-I245 HydrophobicContact CG-CD1 3.78Å; R63-I245 HydrophobicContact CG-CG1 4.38Å
64S88.1Confident87.9Confident93 Ų9356 Ų5665%0.6530%0.301SS*.Hα-helixtrans-68.8-23.6175.976.20000114.1P60 W61 L62P60-S64 PolarHBondContact O-N 3.47Å; W61-S64 PolarHBondContact O-N 3.23Å; W61-S64 PolarHBondContact O-OG 3.44Å; L62-S64 PolarHBondContact O-N 2.88Å
65K87.1Confident87.8Confident61 Ų6157.6 Ų57.627%0.26531%0.31SS..Hα-helixtrans-77.4-33.5173.1-60.5-58-179.8179.70112W61 L62 R63 N69 I73W61-K65 HydrophobicContact CD2-CG 4.39Å; W61-K65 VanDerWaalsContact CE2-CE 3.42Å; W61-K65 HydrophobicContact CH2-CG 4.31Å; W61-K65 HydrophobicContact CZ2-CD 4.44Å; W61-K65 VanDerWaalsContact CZ2-CE 3.49Å; W61-K65 HydrophobicContact CZ2-CG 4.18Å; W61-K65 HydrophobicContact CZ3-CG 4.47Å; W61-K65 PolarHBondContact O-N 3.35Å; L62-K65 WeakPolarHBondContact O-CB 3.19Å; L62-K65 PolarHBondContact O-N 3.1Å; R63-K65 VanDerWaalsContact C-N 3.29Å; R63-K65 PolarHBondContact O-N 2.71Å; K65-N69 HydrophobicContact CB-CB 4.12Å; K65-N69 WeakPolarHBondContact O-CB 3.39Å; K65-N69 PolarHBondContact O-ND2 2.81Å; K65-I73 HydrophobicContact CG-CD1 4.4Å
66G82Confident87.8Confident16 Ų1655.6 Ų55.617%0.16530%0.298CS..THydrogen-bonded Turntrans67.9176.9-174.800000113.4L62 R63 D68L62-G66 PolarHBondContact O-N 2.93Å; R63-G66 PolarHBondContact O-N 3.41Å; G66-D68 PolarHBondContact O-N 3.2Å
67C79Confident87.8Confident19 Ų1952.3 Ų52.313%0.12828%0.28CS..THydrogen-bonded Turntrans-65.2-40.2-174.8-630000113.1N69 L70 I236C67-N69 PolarHBondContact O-N 3.1Å; C67-L70 WeakPolarHBondContact O-CB 3.48Å; C67-L70 PolarHBondContact O-N 3.12Å; C67-I236 WeakPolarHBondContact SG-CG2 3.49Å
68D76.6Confident87.8Confident145 Ų14554 Ų5478%0.77529%0.289SS*.THydrogen-bonded Turntrans-66-25.2-169.8-51.7-29000112.6G66G66-D68 PolarHBondContact O-N 3.2Å
69N81.2Confident87.8Confident89 Ų8955.9 Ų55.948%0.47630%0.302SS..THydrogen-bonded Turntrans-89.2-8.9179.3-70.9-49.2000113.4K65 C67 D71 A72 I73K65-N69 HydrophobicContact CB-CB 4.12Å; K65-N69 WeakPolarHBondContact O-CB 3.39Å; K65-N69 PolarHBondContact O-ND2 2.81Å; C67-N69 PolarHBondContact O-N 3.1Å; N69-D71 PolarHBondContact O-N 2.92Å; N69-A72 PolarHBondContact O-N 2.99Å; N69-I73 WeakPolarHBondContact O-CD1 3.44Å; N69-I73 WeakPolarHBondContact O-CG1 3.27Å
70L83.6Confident87.9Confident5 Ų555.4 Ų55.43%0.02630%0.301CS..G310 helixtrans-65.4-25.3179.4-66.5-178.3000112.4L62 C67 A72 I73 R229 L232 Q233 I236L62-L70 HydrophobicContact CD1-CD2 3.56Å; L62-L70 HydrophobicContact CG-CD2 4.35Å; C67-L70 WeakPolarHBondContact O-CB 3.48Å; C67-L70 PolarHBondContact O-N 3.12Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 2.85Å; L70-I73 HydrophobicContact CD2-CD1 4.35Å; L70-I73 PolarHBondContact O-N 3.23Å; L70-R229 PolarHBondContact O-NH2 2.91Å; L70-L232 HydrophobicContact CD1-CB 4.16Å; L70-Q233 HydrophobicContact CD1-CG 3.6Å; L70-I236 HydrophobicContact CD1-CD1 3.83Å; L70-I236 HydrophobicContact CD2-CD1 4.48Å; L70-I236 HydrophobicContact CG-CD1 4.41Å
71D82Confident88Confident97 Ų9752.9 Ų52.952%0.51928%0.284SS..G310 helixtrans-69.5-32.5-177.4-75.3-30.7000113.6N69 I73 R229N69-D71 PolarHBondContact O-N 2.92Å; D71-I73 VanDerWaalsContact C-N 3.32Å; D71-R229 PolarHBondContact O-NH2 3.37Å; D71-R229 IonicContact OD1-CZ 3.19Å; D71-R229 IonicContact OD1-NE 2.65Å; D71-R229 IonicContact OD1-NH1 3.03Å; D71-R229 PolarHBondContact OD1-NH1 2.87Å
72A84.4Confident88.1Confident94 Ų9453.7 Ų53.778%0.77729%0.291SS*.G310 helixtrans-80.9-11.8177.300000113.3N69 L70N69-A72 PolarHBondContact O-N 2.99Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 2.85Å
73I86.9Confident88.2Confident22 Ų2256.5 Ų56.511%0.11330%0.304CS..  trans-91.8119-176-66.1166.9000109.4W61 K65 N69 L70 D71 P76 R229W61-I73 HydrophobicContact CH2-CD1 3.87Å; W61-I73 HydrophobicContact CZ3-CD1 4.46Å; K65-I73 HydrophobicContact CG-CD1 4.4Å; N69-I73 WeakPolarHBondContact O-CD1 3.44Å; N69-I73 WeakPolarHBondContact O-CG1 3.27Å; L70-I73 HydrophobicContact CD2-CD1 4.35Å; L70-I73 PolarHBondContact O-N 3.23Å; D71-I73 VanDerWaalsContact C-N 3.32Å; I73-P76 HydrophobicContact CG2-CB 4.12Å; I73-P76 HydrophobicContact CG2-CG 3.94Å; I73-R229 PolarHBondContact O-NH2 3.12Å
74R86.1Confident88.5Confident247 Ų24755 Ų5593%0.93230%0.299SS*.SBendtrans-74.6-60.2179.2-178-177.7176.1-174.3-0.9112.1
75D92.4Very high88.8Confident36 Ų3650.7 Ų50.719%0.19327%0.269CS..SBendtrans-123.1116.6170.1-174.9-73.4000108.4I77 D78 S79 R228D75-I77 PolarHBondContact O-N 3.36Å; D75-I77 PolarHBondContact OD1-N 3.01Å; D75-D78 HydrophobicContact CB-CB 4Å; D75-D78 PolarHBondContact OD1-N 3.2Å; D75-S79 VanDerWaalsContact O-CB 3.26Å; D75-S79 WeakPolarHBondContact O-CB 3.21Å; D75-S79 PolarHBondContact O-N 3.28Å; D75-S79 PolarHBondContact O-OG 3.02Å; D75-R228 IonicContact OD2-NH1 2.64Å
76P93.5Very high89.2Confident14 Ų1452.9 Ų52.99%0.09128%0.28CS..Hα-helixtrans-61.7-38.8-176.1-2735.4000114.8F58 W61 L62 I73 C80 L232F58-P76 HydrophobicContact CE2-CB 3.68Å; F58-P76 HydrophobicContact CZ-CB 3.78Å; W61-P76 WeakPolarHBondContact CZ3-O 3.3Å; L62-P76 HydrophobicContact CD1-CB 4.39Å; I73-P76 HydrophobicContact CG2-CB 4.12Å; I73-P76 HydrophobicContact CG2-CG 3.94Å; P76-C80 WeakPolarHBondContact O-CB 3.32Å; P76-C80 PolarHBondContact O-N 3.2Å; P76-L232 HydrophobicContact CB-CD1 3.91Å; P76-L232 HydrophobicContact CG-CD1 3.61Å
77I93.7Very high89.8Confident4 Ų456.2 Ų56.22%0.02129%0.292CS..Hα-helixtrans-73.1-46.9-178.1-75-77.4000109.3M53 F54 F58 D75 S79 C80 M81 R159 Y220M53-I77 HydrophobicContact CE-CD1 4.28Å; F54-I77 HydrophobicContact CD2-CD1 4.27Å; F54-I77 HydrophobicContact CE2-CD1 4.4Å; F58-I77 HydrophobicContact CB-CD1 3.92Å; F58-I77 HydrophobicContact CD1-CD1 3.74Å; F58-I77 HydrophobicContact CD2-CD1 3.42Å; F58-I77 VanDerWaalsContact CD2-CD1 3.42Å; F58-I77 HydrophobicContact CD2-CG1 4.13Å; F58-I77 HydrophobicContact CE1-CD1 4.06Å; F58-I77 HydrophobicContact CE2-CD1 3.78Å; F58-I77 HydrophobicContact CE2-CG1 4Å; F58-I77 HydrophobicContact CG-CD1 3.39Å; F58-I77 HydrophobicContact CG-CG1 4.46Å; F58-I77 HydrophobicContact CZ-CD1 4.08Å; F58-I77 HydrophobicContact CZ-CG1 4.21Å; D75-I77 PolarHBondContact O-N 3.36Å; D75-I77 PolarHBondContact OD1-N 3.01Å; I77-S79 VanDerWaalsContact C-N 3.27Å; I77-S79 PolarHBondContact O-N 2.87Å; I77-C80 WeakPolarHBondContact O-CB 3.29Å; I77-C80 PolarHBondContact O-N 3.17Å; I77-M81 HydrophobicContact CG2-CG 4.35Å; I77-M81 VanDerWaalsContact O-CG 3.31Å; I77-M81 WeakPolarHBondContact O-CG 3.43Å; I77-M81 PolarHBondContact O-N 3.08Å; I77-R159 VanDerWaalsContact CG2-NH2 3.33Å; I77-Y220 HydrophobicContact CD1-CE1 4.45Å; I77-Y220 HydrophobicContact CG1-CE1 3.61Å; I77-Y220 WeakPolarHBondContact CG1-OH 3.28Å
78D94.6Very high90.5Very high42 Ų4256.5 Ų56.523%0.22529%0.291CS..Hα-helixtrans-63.6-37.2179.6-63.3-11.4000111.1D75 T82 F102 R159D75-D78 HydrophobicContact CB-CB 4Å; D75-D78 PolarHBondContact OD1-N 3.2Å; D78-T82 WeakPolarHBondContact O-CB 3.42Å; D78-T82 PolarHBondContact O-N 2.86Å; D78-T82 PolarHBondContact O-OG1 3.41Å; D78-F102 HydrophobicContact CB-CD1 3.93Å; D78-F102 HydrophobicContact CB-CE1 3.58Å; D78-F102 HydrophobicContact CB-CZ 4.02Å; D78-F102 VanDerWaalsContact CG-CD1 3.47Å; D78-R159 IonicContact OD1-NH1 3.73Å
79S94.5Very high91.3Very high40 Ų4051.5 Ų51.528%0.2827%0.265SS..Hα-helixtrans-66.5-42.1175.6-56.90000112D75 I77 Q83D75-S79 VanDerWaalsContact O-CB 3.26Å; D75-S79 WeakPolarHBondContact O-CB 3.21Å; D75-S79 PolarHBondContact O-N 3.28Å; D75-S79 PolarHBondContact O-OG 3.02Å; I77-S79 VanDerWaalsContact C-N 3.27Å; I77-S79 PolarHBondContact O-N 2.87Å; S79-Q83 PolarHBondContact O-N 2.9Å
80C94.6Very high92Very high0 Ų054.7 Ų54.70%028%0.277CS..Hα-helixtrans-60.3-53.8174.9-177.60000110.7L57 F58 W61 P76 I77 T82 Q83 F84L57-C80 WeakPolarHBondContact CD2-SG 3.41Å; F58-C80 HydrophobicContact CD2-CB 3.88Å; F58-C80 HydrophobicContact CE2-CB 4.45Å; W61-C80 HydrophobicContact CD2-CB 3.63Å; W61-C80 VanDerWaalsContact CD2-SG 3.6Å; W61-C80 HydrophobicContact CE3-CB 3.59Å; W61-C80 HydrophobicContact CG-CB 4.18Å; W61-C80 HydrophobicContact CH2-CB 4.14Å; W61-C80 HydrophobicContact CZ2-CB 4.16Å; W61-C80 HydrophobicContact CZ3-CB 3.86Å; P76-C80 WeakPolarHBondContact O-CB 3.32Å; P76-C80 PolarHBondContact O-N 3.2Å; I77-C80 WeakPolarHBondContact O-CB 3.29Å; I77-C80 PolarHBondContact O-N 3.17Å; C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 2.8Å; C80-Q83 PolarHBondContact O-N 3.42Å; C80-F84 VanDerWaalsContact O-CD2 3.25Å; C80-F84 WeakPolarHBondContact O-CD2 3.4Å; C80-F84 PolarHBondContact O-N 3.46Å; C80-F84 VanDerWaalsContact O-N 3.1Å
81M94.3Very high92.6Very high1 Ų158.4 Ų58.41%0.00530%0.304CS..Hα-helixtrans-61.4-42.1-179.8-65.7-53.5-47.200111.9L16 N49 M53 L57 I77 Q83 F84 I85 R159L16-M81 HydrophobicContact CD1-CE 4.04Å; L16-M81 HydrophobicContact CD2-CE 4.24Å; N49-M81 PolarHBondContact ND2-SD 3.4Å; M53-M81 HydrophobicContact SD-SD 4.14Å; L57-M81 HydrophobicContact CD2-SD 4.36Å; I77-M81 HydrophobicContact CG2-CG 4.35Å; I77-M81 VanDerWaalsContact O-CG 3.31Å; I77-M81 WeakPolarHBondContact O-CG 3.43Å; I77-M81 PolarHBondContact O-N 3.08Å; M81-Q83 VanDerWaalsContact C-N 3.34Å; M81-Q83 PolarHBondContact O-N 3.31Å; M81-F84 PolarHBondContact O-N 2.85Å; M81-I85 HydrophobicContact CB-CD1 4.43Å; M81-I85 HydrophobicContact CE-CD1 4.45Å; M81-I85 VanDerWaalsContact O-CB 3.3Å; M81-I85 WeakPolarHBondContact O-CB 3.41Å; M81-I85 WeakPolarHBondContact O-CD1 3.49Å; M81-I85 VanDerWaalsContact O-CG1 3.27Å; M81-I85 WeakPolarHBondContact O-CG1 3.32Å; M81-I85 PolarHBondContact O-N 3.02Å; M81-R159 HydrophobicContact CE-CB 4.06Å; M81-R159 HydrophobicContact CE-CG 3.87Å; M81-R159 HydrophobicContact CG-CG 4.34Å; M81-R159 HydrophobicContact SD-CG 4.34Å
82T95.1Very high93.1Very high33 Ų3355.6 Ų55.620%0.20229%0.288CS..Hα-helixtrans-58.6-46.3176.4-64.70000111.3D78 C80 I85 Q86 Q100 F102D78-T82 WeakPolarHBondContact O-CB 3.42Å; D78-T82 PolarHBondContact O-N 2.86Å; D78-T82 PolarHBondContact O-OG1 3.41Å; C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 2.8Å; T82-I85 PolarHBondContact O-N 3.4Å; T82-Q86 HydrophobicContact CG2-CG 4.27Å; T82-Q86 VanDerWaalsContact O-CB 3.32Å; T82-Q86 WeakPolarHBondContact O-CB 3.42Å; T82-Q86 WeakPolarHBondContact O-CG 3.29Å; T82-Q86 PolarHBondContact O-N 3.21Å; T82-Q100 PolarHBondContact OG1-NE2 2.74Å; T82-Q100 PolarHBondContact OG1-OE1 3.43Å; T82-F102 WeakPolarHBondContact OG1-CZ 3.32Å
83Q94.3Very high93.5Very high59 Ų5959.6 Ų59.628%0.27630%0.297SS..Hα-helixtrans-61.4-47.7179.5-175.1179.7-18.800111.1S79 C80 M81 Q86 Q87S79-Q83 PolarHBondContact O-N 2.9Å; C80-Q83 PolarHBondContact O-N 3.42Å; M81-Q83 VanDerWaalsContact C-N 3.34Å; M81-Q83 PolarHBondContact O-N 3.31Å; Q83-Q86 PolarHBondContact O-N 3.2Å; Q83-Q87 VanDerWaalsContact O-CG 3.29Å; Q83-Q87 WeakPolarHBondContact O-CG 3.3Å; Q83-Q87 PolarHBondContact O-N 2.96Å
84F94.2Very high93.6Very high37 Ų3761.5 Ų61.516%0.16231%0.312CS..Hα-helixtrans-65.3-42.2179.8-81.4-70.6000112.8P12 L57 W61 C80 M81 Q87 F88P12-F84 HydrophobicContact CB-CD1 3.56Å; P12-F84 HydrophobicContact CB-CE1 3.9Å; P12-F84 HydrophobicContact CG-CD1 4.47Å; L57-F84 HydrophobicContact CD1-CD2 4.29Å; L57-F84 HydrophobicContact CD1-CE2 4.37Å; L57-F84 HydrophobicContact CD1-CG 4.45Å; L57-F84 HydrophobicContact CD2-CD2 3.5Å; L57-F84 HydrophobicContact CD2-CE2 3.39Å; L57-F84 HydrophobicContact CD2-CG 4.4Å; L57-F84 HydrophobicContact CD2-CZ 4.2Å; L57-F84 HydrophobicContact CG-CD2 3.97Å; L57-F84 HydrophobicContact CG-CE2 3.63Å; L57-F84 HydrophobicContact CG-CZ 3.93Å; W61-F84 HydrophobicContact CB-CE2 4.06Å; W61-F84 AromaticContact CD1-CE2 3.87Å; W61-F84 HydrophobicContact CG-CE2 4.18Å; C80-F84 VanDerWaalsContact O-CD2 3.25Å; C80-F84 WeakPolarHBondContact O-CD2 3.4Å; C80-F84 PolarHBondContact O-N 3.46Å; C80-F84 VanDerWaalsContact O-N 3.1Å; M81-F84 PolarHBondContact O-N 2.85Å; F84-Q87 PolarHBondContact O-N 3.1Å; F84-F88 WeakPolarHBondContact O-CB 3.46Å; F84-F88 PolarHBondContact O-N 2.8Å
85I94.4Very high94.1Very high4 Ų455.7 Ų55.72%0.02129%0.294CS..Hα-helixtrans-64-43.2177.2-73.6164.6000110.7M81 T82 F88 V89 A98 Q100 A160 F162M81-I85 HydrophobicContact CB-CD1 4.43Å; M81-I85 HydrophobicContact CE-CD1 4.45Å; M81-I85 VanDerWaalsContact O-CB 3.3Å; M81-I85 WeakPolarHBondContact O-CB 3.41Å; M81-I85 WeakPolarHBondContact O-CD1 3.49Å; M81-I85 VanDerWaalsContact O-CG1 3.27Å; M81-I85 WeakPolarHBondContact O-CG1 3.32Å; M81-I85 PolarHBondContact O-N 3.02Å; T82-I85 PolarHBondContact O-N 3.4Å; I85-F88 PolarHBondContact O-N 3.33Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CB 3.31Å; I85-V89 VanDerWaalsContact O-CG2 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.4Å; I85-V89 PolarHBondContact O-N 2.89Å; I85-A98 HydrophobicContact CG2-CB 3.63Å; I85-Q100 HydrophobicContact CD1-CG 3.86Å; I85-A160 HydrophobicContact CD1-CB 3.72Å; I85-F162 HydrophobicContact CG1-CE1 4.25Å; I85-F162 HydrophobicContact CG1-CZ 4.16Å; I85-F162 HydrophobicContact CG2-CE1 3.72Å; I85-F162 HydrophobicContact CG2-CZ 4.25Å
86Q95.1Very high94.3Very high106 Ų10654.7 Ų54.750%0.49529%0.289SS..Hα-helixtrans-62-45.1177-76.3173.6-11.100111.8T82 Q83 F88 V89 Q90T82-Q86 HydrophobicContact CG2-CG 4.27Å; T82-Q86 VanDerWaalsContact O-CB 3.32Å; T82-Q86 WeakPolarHBondContact O-CB 3.42Å; T82-Q86 WeakPolarHBondContact O-CG 3.29Å; T82-Q86 PolarHBondContact O-N 3.21Å; Q83-Q86 PolarHBondContact O-N 3.2Å; Q86-F88 VanDerWaalsContact C-N 3.33Å; Q86-F88 PolarHBondContact O-N 2.96Å; Q86-V89 PolarHBondContact O-N 3.32Å; Q86-Q90 WeakPolarHBondContact O-CB 3.14Å; Q86-Q90 WeakPolarHBondContact O-CG 3.3Å; Q86-Q90 PolarHBondContact O-N 3Å
87Q95Very high94.5Very high87 Ų8756.6 Ų56.641%0.40730%0.298SS..Hα-helixtrans-61.3-42.3176.3-73.1175-8.600111.8Q83 F84 Q90 S91Q83-Q87 VanDerWaalsContact O-CG 3.29Å; Q83-Q87 WeakPolarHBondContact O-CG 3.3Å; Q83-Q87 PolarHBondContact O-N 2.96Å; F84-Q87 PolarHBondContact O-N 3.1Å; Q87-Q90 PolarHBondContact O-N 2.83Å; Q87-S91 PolarHBondContact O-N 3.32Å; Q87-S91 VanDerWaalsContact O-N 3.13Å
88F93.6Very high94.7Very high25 Ų2557.9 Ų57.911%0.1131%0.309CS..Hα-helixtrans-62.4-49.5174.8174.7-103.3000111.6L13 F84 I85 Q86 Q90 S91 L92 F162L13-F88 HydrophobicContact CD1-CD1 4.26Å; L13-F88 HydrophobicContact CD1-CD2 3.6Å; L13-F88 HydrophobicContact CD1-CE1 4.31Å; L13-F88 HydrophobicContact CD1-CE2 3.65Å; L13-F88 HydrophobicContact CD1-CG 3.91Å; L13-F88 HydrophobicContact CD1-CZ 4.01Å; L13-F88 HydrophobicContact CG-CD2 4.31Å; F84-F88 WeakPolarHBondContact O-CB 3.46Å; F84-F88 PolarHBondContact O-N 2.8Å; I85-F88 PolarHBondContact O-N 3.33Å; Q86-F88 VanDerWaalsContact C-N 3.33Å; Q86-F88 PolarHBondContact O-N 2.96Å; F88-Q90 VanDerWaalsContact C-N 3.28Å; F88-Q90 PolarHBondContact O-N 3.47Å; F88-S91 PolarHBondContact O-N 2.91Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-S91 PolarHBondContact O-OG 2.9Å; F88-L92 HydrophobicContact CD1-CD1 4.21Å; F88-L92 HydrophobicContact CE1-CD1 3.74Å; F88-L92 HydrophobicContact CE1-CD2 4.47Å; F88-L92 HydrophobicContact CE1-CG 4.39Å; F88-L92 HydrophobicContact CE2-CD2 4.28Å; F88-L92 HydrophobicContact CZ-CD1 4.12Å; F88-L92 HydrophobicContact CZ-CD2 4.01Å; F88-L92 HydrophobicContact CZ-CG 4.39Å; F88-L92 WeakPolarHBondContact O-CG 3.38Å; F88-L92 PolarHBondContact O-N 2.95Å; F88-F162 HydrophobicContact CD1-CD2 4.18Å; F88-F162 AromaticContact CD1-CE2 3.51Å; F88-F162 HydrophobicContact CD1-CE2 3.51Å; F88-F162 AromaticContact CD1-CZ 3.76Å; F88-F162 HydrophobicContact CD1-CZ 3.76Å; F88-F162 AromaticContact CE1-CD2 3.6Å; F88-F162 HydrophobicContact CE1-CD2 3.6Å; F88-F162 AromaticContact CE1-CE2 3.3Å; F88-F162 HydrophobicContact CE1-CE2 3.3Å; F88-F162 HydrophobicContact CE1-CZ 4.04Å; F88-F162 HydrophobicContact CZ-CE2 4.26Å
89V94.6Very high94.8Very high39 Ų3956.7 Ų56.724%0.23630%0.303CS..Hα-helixtrans-60.4-39.8179.4170.60000111.5I85 Q86 S91 L92 C96 A98I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CB 3.31Å; I85-V89 VanDerWaalsContact O-CG2 3.3Å; I85-V89 WeakPolarHBondContact O-CG2 3.4Å; I85-V89 PolarHBondContact O-N 2.89Å; Q86-V89 PolarHBondContact O-N 3.32Å; V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 PolarHBondContact O-N 3.11Å; V89-L92 PolarHBondContact O-N 3.29Å; V89-C96 HydrophobicContact CG1-CB 4.28Å; V89-A98 HydrophobicContact CG2-CB 4.02Å
90Q95.2Very high95Very high156 Ų15655.6 Ų55.673%0.72929%0.293SS*.Hα-helixtrans-67.7-25.3177.8-74.4169.5-2.600113.7Q86 Q87 F88 L92Q86-Q90 WeakPolarHBondContact O-CB 3.14Å; Q86-Q90 WeakPolarHBondContact O-CG 3.3Å; Q86-Q90 PolarHBondContact O-N 3Å; Q87-Q90 PolarHBondContact O-N 2.83Å; F88-Q90 VanDerWaalsContact C-N 3.28Å; F88-Q90 PolarHBondContact O-N 3.47Å; Q90-L92 VanDerWaalsContact C-N 3.31Å
91S95.3Very high95.1Very high84 Ų8458.4 Ų58.459%0.58731%0.308SS*.Hα-helixtrans-83-9.4178.175.20000113.3Q87 F88 V89Q87-S91 PolarHBondContact O-N 3.32Å; Q87-S91 VanDerWaalsContact O-N 3.13Å; F88-S91 PolarHBondContact O-N 2.91Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-S91 PolarHBondContact O-OG 2.9Å; V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 PolarHBondContact O-N 3.11Å
92L94.1Very high95.2Very high37 Ų3761.2 Ų61.219%0.19432%0.32CS..  trans-81.2135.8178.2-62.7171000111.2F88 V89 Q90 S94 C96 F164F88-L92 HydrophobicContact CD1-CD1 4.21Å; F88-L92 HydrophobicContact CE1-CD1 3.74Å; F88-L92 HydrophobicContact CE1-CD2 4.47Å; F88-L92 HydrophobicContact CE1-CG 4.39Å; F88-L92 HydrophobicContact CE2-CD2 4.28Å; F88-L92 HydrophobicContact CZ-CD1 4.12Å; F88-L92 HydrophobicContact CZ-CD2 4.01Å; F88-L92 HydrophobicContact CZ-CG 4.39Å; F88-L92 WeakPolarHBondContact O-CG 3.38Å; F88-L92 PolarHBondContact O-N 2.95Å; V89-L92 PolarHBondContact O-N 3.29Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; L92-S94 PolarHBondContact O-N 3.2Å; L92-C96 HydrophobicContact CD1-CB 3.56Å; L92-F164 HydrophobicContact CD1-CE1 3.9Å; L92-F164 HydrophobicContact CD1-CZ 4.13Å
93N91.2Very high95.3Very high178 Ų17861.3 Ų61.395%0.95232%0.32SS*.SBendtrans-81.25.4171-66.4-45000113.1
94S90.7Very high95.4Very high63 Ų6363.2 Ų63.244%0.44133%0.33SS..SBendtrans-122.3152.4-178.1570000110.7L92 C96L92-S94 PolarHBondContact O-N 3.2Å; S94-C96 PolarHBondContact O-N 2.85Å; S94-C96 VanDerWaalsContact O-N 3.11Å
95K95.7Very high95.4Very high124 Ų12462.8 Ų62.854%0.53933%0.33SS..  trans-63.2116.2173.3-174.2179179.1-177.80109.2P165 D166K95-P165 HydrophobicContact CD-CG 4.45Å; K95-D166 WeakPolarHBondContact CB-OD2 3.41Å
96C97Very high95.5Very high15 Ų1569.1 Ų69.110%0.10137%0.372CS..  trans-125.1126.4176.6179.40000109.2V89 L92 S94 F163 F164V89-C96 HydrophobicContact CG1-CB 4.28Å; L92-C96 HydrophobicContact CD1-CB 3.56Å; S94-C96 PolarHBondContact O-N 2.85Å; S94-C96 VanDerWaalsContact O-N 3.11Å; C96-F163 WeakPolarHBondContact CA-O 3.28Å; C96-F164 HydrophobicContact CB-CD1 4.22Å; C96-F164 HydrophobicContact CB-CE1 3.88Å; C96-F164 HydrophobicContact CB-CZ 4.36Å
97I97.5Very high95.5Very high54 Ų5469.4 Ų69.428%0.27738%0.381SS..EExtended strand (participates in β ladder)trans-106.2113174.4-58.3172.7000107.1Y38 F162 F163 P165Y38-I97 HydrophobicContact CE1-CD1 4.04Å; Y38-I97 WeakPolarHBondContact OH-CD1 3.36Å; I97-F162 WeakPolarHBondContact O-CA 3.33Å; I97-F163 HydrophobicContact CB-CB 4.41Å; I97-F163 PolarHBondContact N-O 2.91Å; I97-F163 PolarHBondContact O-N 3.34Å; I97-P165 HydrophobicContact CD1-CG 3.73Å; I97-P165 HydrophobicContact CG1-CG 4.3Å
98A97.3Very high95.6Very high31 Ų3175 Ų7526%0.25640%0.398SS..EExtended strand (participates in β ladder)trans-93130.4173.900000110.7I85 V89 F162I85-A98 HydrophobicContact CG2-CB 3.63Å; V89-A98 HydrophobicContact CG2-CB 4.02Å; A98-F162 HydrophobicContact CB-CD1 3.62Å; A98-F162 HydrophobicContact CB-CE1 3.74Å
99I97.9Very high95.7Very high17 Ų1778.2 Ų78.29%0.08741%0.41CS..EExtended strand (participates in β ladder)trans-117.5121.3168.1-60-175000107.8D103 K111 V112 A160 V161 F163I99-D103 HydrophobicContact CG2-CB 3.99Å; I99-K111 HydrophobicContact CD1-CB 4.36Å; I99-K111 HydrophobicContact CG2-CB 3.71Å; I99-K111 HydrophobicContact CG2-CD 4.3Å; I99-V112 HydrophobicContact CB-CG2 4.2Å; I99-V112 HydrophobicContact CD1-CG2 3.86Å; I99-V112 HydrophobicContact CG2-CB 4.34Å; I99-V112 HydrophobicContact CG2-CG2 3.85Å; I99-A160 CarbonylContact O-C 3.57Å; I99-A160 WeakPolarHBondContact O-CA 3.48Å; I99-V161 PolarHBondContact N-O 3.49Å; I99-V161 PolarHBondContact O-N 2.94Å; I99-F163 HydrophobicContact CB-CE2 4.27Å; I99-F163 HydrophobicContact CD1-CD2 4.27Å; I99-F163 HydrophobicContact CD1-CE2 3.71Å; I99-F163 HydrophobicContact CG1-CD2 4.33Å; I99-F163 HydrophobicContact CG1-CE2 3.96Å
100Q97.7Very high95.8Very high18 Ų1878.9 Ų78.98%0.08442%0.415CS..EExtended strand (participates in β ladder)trans-87159.5179.1-66.2-175.385.400111.9T82 I85 F102 D103 R159 A160T82-Q100 PolarHBondContact OG1-NE2 2.74Å; T82-Q100 PolarHBondContact OG1-OE1 3.43Å; I85-Q100 HydrophobicContact CD1-CG 3.86Å; Q100-F102 HydrophobicContact CB-CD1 4.12Å; Q100-F102 HydrophobicContact CB-CD2 4.5Å; Q100-F102 HydrophobicContact CB-CE1 3.72Å; Q100-F102 HydrophobicContact CB-CE2 4.13Å; Q100-F102 HydrophobicContact CB-CZ 3.74Å; Q100-F102 HydrophobicContact CG-CE1 4.29Å; Q100-F102 HydrophobicContact CG-CZ 4.14Å; Q100-F102 PolarHBondContact O-N 3.27Å; Q100-F102 VanDerWaalsContact OE1-CZ 3.3Å; Q100-D103 PolarHBondContact N-OD2 2.91Å; Q100-D103 VanDerWaalsContact O-CB 3.31Å; Q100-D103 WeakPolarHBondContact O-CB 3.45Å; Q100-D103 PolarHBondContact O-N 2.95Å; Q100-R159 CarbonylContact C-O 3.55Å; Q100-R159 WeakPolarHBondContact CA-O 3.22Å; Q100-A160 HydrophobicContact CG-CB 4.4Å
101D97.1Very high95.9Very high58 Ų5875.7 Ų75.731%0.3140%0.399SS..THydrogen-bonded Turntrans-63.4-29.7-175.965.6-55.2000113.3M114 R159D101-M114 VanDerWaalsContact CA-CE 3.41Å; D101-M114 HydrophobicContact CB-CE 3.94Å; D101-M114 HydrophobicContact CB-CG 3.87Å; D101-R159 PolarHBondContact N-O 2.78Å
102F95.8Very high96.1Very high60 Ų6072 Ų7226%0.26337%0.373SS..THydrogen-bonded Turntrans-86-3.6174.959.1-101.1000114D78 T82 Q100 M104D78-F102 HydrophobicContact CB-CD1 3.93Å; D78-F102 HydrophobicContact CB-CE1 3.58Å; D78-F102 HydrophobicContact CB-CZ 4.02Å; D78-F102 VanDerWaalsContact CG-CD1 3.47Å; T82-F102 WeakPolarHBondContact OG1-CZ 3.32Å; Q100-F102 HydrophobicContact CB-CD1 4.12Å; Q100-F102 HydrophobicContact CB-CD2 4.5Å; Q100-F102 HydrophobicContact CB-CE1 3.72Å; Q100-F102 HydrophobicContact CB-CE2 4.13Å; Q100-F102 HydrophobicContact CB-CZ 3.74Å; Q100-F102 HydrophobicContact CG-CE1 4.29Å; Q100-F102 HydrophobicContact CG-CZ 4.14Å; Q100-F102 PolarHBondContact O-N 3.27Å; Q100-F102 VanDerWaalsContact OE1-CZ 3.3Å; F102-M104 PolarHBondContact O-N 3.31Å
103D96.9Very high96.2Very high36 Ų3672.8 Ų72.819%0.19338%0.377CS..  trans-70122.2-179.7-79.5-30.6000111.6I99 Q100 K111I99-D103 HydrophobicContact CG2-CB 3.99Å; Q100-D103 PolarHBondContact N-OD2 2.91Å; Q100-D103 VanDerWaalsContact O-CB 3.31Å; Q100-D103 WeakPolarHBondContact O-CB 3.45Å; Q100-D103 PolarHBondContact O-N 2.95Å; D103-K111 HydrophobicContact CB-CD 3.94Å; D103-K111 HydrophobicContact CB-CG 4.28Å; D103-K111 PolarHBondContact O-N 2.95Å
104M96.9Very high96.6Very high98 Ų9865.1 Ų65.148%0.48334%0.335SS..BIsolated β-bridgetrans-116.3151.1178.3-71.5176.9-94.100111.4F102 R108 R109 K111F102-M104 PolarHBondContact O-N 3.31Å; M104-R108 HydrophobicContact SD-CB 4.4Å; M104-R109 CarbonylContact C-O 3.49Å; M104-R109 WeakPolarHBondContact CA-O 3.03Å; M104-K111 WeakPolarHBondContact O-CE 3.29Å
105T95.4Very high96.9Very high28 Ų2864.4 Ų64.417%0.17233%0.326CS..  trans-68.9165.3163.560.20000110.6T107 R108 R109 K111T105-T107 PolarHBondContact O-N 3.43Å; T105-T107 VanDerWaalsContact O-N 3.1Å; T105-T107 PolarHBondContact OG1-OG1 3.06Å; T105-R108 WeakPolarHBondContact O-CA 3.27Å; T105-R108 PolarHBondContact O-N 3.41Å; T105-R109 PolarHBondContact N-O 2.86Å; T105-R109 WeakPolarHBondContact OG1-CB 2.92Å; T105-R109 PolarHBondContact OG1-N 3.1Å; T105-R109 VanDerWaalsContact OG1-N 3.12Å; T105-R109 PolarHBondContact OG1-O 3.46Å; T105-K111 HydrophobicContact CG2-CG 4.12Å
106P95.9Very high97Very high138 Ų13859.1 Ų59.190%0.89631%0.305SS*.THydrogen-bonded Turntrans-55.4-27.8174.6-27.836.5000114.1R108P106-R108 PolarHBondContact O-N 2.85Å
107T95.6Very high97.1Very high112 Ų11258.7 Ų58.769%0.68730%0.302SS*.THydrogen-bonded Turntrans-85.517.117662.60000113.3T105 R109T105-T107 PolarHBondContact O-N 3.43Å; T105-T107 VanDerWaalsContact O-N 3.1Å; T105-T107 PolarHBondContact OG1-OG1 3.06Å; T107-R109 PolarHBondContact O-N 3.21Å; T107-R109 VanDerWaalsContact O-N 3.11Å
108R95.3Very high97.1Very high203 Ų20356.1 Ų56.177%0.76629%0.289SS*.SBendtrans59.617.9-179.1-55.9-171.964.8173.2-0.4115.3M104 T105 P106M104-R108 HydrophobicContact SD-CB 4.4Å; T105-R108 WeakPolarHBondContact O-CA 3.27Å; T105-R108 PolarHBondContact O-N 3.41Å; P106-R108 PolarHBondContact O-N 2.85Å
109R96.1Very high97.1Very high93 Ų9357 Ų5735%0.35129%0.288SS..  trans-81.5134.4170.5-175.6-17670.7-147.34.5109P33 F34 M104 T105 T107P33-R109 VanDerWaalsContact CB-NH1 3.35Å; P33-R109 PolarHBondContact O-NE 3.34Å; P33-R109 VanDerWaalsContact O-NE 3.17Å; P33-R109 PolarHBondContact O-NH1 3.04Å; P33-R109 PolarHBondContact O-NH2 2.99Å; F34-R109 HydrophobicContact CD1-CG 4.19Å; F34-R109 HydrophobicContact CE1-CG 3.34Å; F34-R109 HydrophobicContact CZ-CG 3.7Å; M104-R109 CarbonylContact C-O 3.49Å; M104-R109 WeakPolarHBondContact CA-O 3.03Å; T105-R109 PolarHBondContact N-O 2.86Å; T105-R109 WeakPolarHBondContact OG1-CB 2.92Å; T105-R109 PolarHBondContact OG1-N 3.1Å; T105-R109 VanDerWaalsContact OG1-N 3.12Å; T105-R109 PolarHBondContact OG1-O 3.46Å; T107-R109 PolarHBondContact O-N 3.21Å; T107-R109 VanDerWaalsContact O-N 3.11Å
110P97.3Very high97.1Very high53 Ų5356.3 Ų56.334%0.34428%0.284SS..BIsolated β-bridgetrans-53.3139.5171-24.933.7000111.3V112 L113P110-V112 VanDerWaalsContact C-N 3.35Å; P110-L113 HydrophobicContact CB-CD2 4.49Å
111K98Very high97.1Very high90 Ų9055.7 Ų55.739%0.39128%0.282SS..SBendtrans-71.1-32.8176.9-70-171.1-169.7165.80112.3I99 D103 M104 T105I99-K111 HydrophobicContact CD1-CB 4.36Å; I99-K111 HydrophobicContact CG2-CB 3.71Å; I99-K111 HydrophobicContact CG2-CD 4.3Å; D103-K111 HydrophobicContact CB-CD 3.94Å; D103-K111 HydrophobicContact CB-CG 4.28Å; D103-K111 PolarHBondContact O-N 2.95Å; M104-K111 WeakPolarHBondContact O-CE 3.29Å; T105-K111 HydrophobicContact CG2-CG 4.12Å
112V98Very high97Very high7 Ų753.9 Ų53.94%0.04228%0.277CS..SBendtrans-136.1140.9176.8173.80000108.6Y26 L36 I99 P110 M114 A117 V161 F163Y26-V112 HydrophobicContact CE2-CG1 4.11Å; L36-V112 HydrophobicContact CD2-CG2 3.99Å; I99-V112 HydrophobicContact CB-CG2 4.2Å; I99-V112 HydrophobicContact CD1-CG2 3.86Å; I99-V112 HydrophobicContact CG2-CB 4.34Å; I99-V112 HydrophobicContact CG2-CG2 3.85Å; P110-V112 VanDerWaalsContact C-N 3.35Å; V112-M114 HydrophobicContact CB-CE 4.49Å; V112-M114 HydrophobicContact CG1-SD 4.08Å; V112-M114 PolarHBondContact O-N 2.83Å; V112-A117 HydrophobicContact CG1-CB 4.31Å; V112-V161 HydrophobicContact CG1-CG2 4.14Å; V112-F163 HydrophobicContact CG2-CE2 4.22Å; V112-F163 HydrophobicContact CG2-CZ 4.04Å
113L98.1Very high97.1Very high53 Ų5351.4 Ų51.428%0.27727%0.267SS..  trans-86.793.5170.6-62.3-177.8000109.5Y26 V30 F34 P110 N115 V116 A117Y26-L113 HydrophobicContact CE2-CB 4.23Å; Y26-L113 WeakPolarHBondContact OH-CB 3.36Å; Y26-L113 PolarHBondContact OH-N 2.91Å; V30-L113 HydrophobicContact CG1-CD1 4.03Å; F34-L113 HydrophobicContact CB-CD1 4.24Å; F34-L113 HydrophobicContact CB-CG 4.4Å; F34-L113 HydrophobicContact CD1-CD1 4.01Å; F34-L113 HydrophobicContact CD1-CD2 3.79Å; F34-L113 HydrophobicContact CD1-CG 3.67Å; F34-L113 HydrophobicContact CD2-CD1 3.99Å; F34-L113 HydrophobicContact CE1-CD1 4.33Å; F34-L113 HydrophobicContact CE1-CD2 3.57Å; F34-L113 HydrophobicContact CE1-CG 3.99Å; F34-L113 HydrophobicContact CE2-CD1 4.33Å; F34-L113 HydrophobicContact CG-CD1 3.82Å; F34-L113 HydrophobicContact CG-CD2 4.44Å; F34-L113 HydrophobicContact CG-CG 3.97Å; F34-L113 HydrophobicContact CZ-CD1 4.48Å; F34-L113 HydrophobicContact CZ-CD2 4.08Å; P110-L113 HydrophobicContact CB-CD2 4.49Å; L113-N115 VanDerWaalsContact C-N 3.27Å; L113-N115 PolarHBondContact O-N 2.78Å; L113-V116 HydrophobicContact CB-CB 4.31Å; L113-V116 HydrophobicContact CB-CG2 4.06Å; L113-V116 HydrophobicContact CD1-CG2 4.43Å; L113-V116 PolarHBondContact O-N 3.47Å; L113-A117 PolarHBondContact O-N 3.23Å; L113-A117 VanDerWaalsContact O-N 3.12Å
114M98.1Very high97.1Very high17 Ų1749.7 Ų49.78%0.08426%0.258CS..Hα-helixtrans-57.4-36-172.3-67.2-58.2-175.300114.2L46 D101 V112 V116 A117 G118 Y158 V161L46-M114 HydrophobicContact CD1-SD 4.31Å; D101-M114 VanDerWaalsContact CA-CE 3.41Å; D101-M114 HydrophobicContact CB-CE 3.94Å; D101-M114 HydrophobicContact CB-CG 3.87Å; V112-M114 HydrophobicContact CB-CE 4.49Å; V112-M114 HydrophobicContact CG1-SD 4.08Å; V112-M114 PolarHBondContact O-N 2.83Å; M114-V116 VanDerWaalsContact C-N 3.29Å; M114-V116 PolarHBondContact O-N 3.03Å; M114-A117 PolarHBondContact O-N 3.03Å; M114-G118 PolarHBondContact O-N 3.28Å; M114-Y158 HydrophobicContact CB-CD2 3.62Å; M114-Y158 HydrophobicContact CB-CE2 4.35Å; M114-Y158 HydrophobicContact CB-CG 3.7Å; M114-Y158 HydrophobicContact CG-CG 4.49Å; M114-V161 HydrophobicContact CE-CG2 4.22Å; M114-V161 HydrophobicContact SD-CG2 3.76Å
115N97.7Very high97.1Very high47 Ų4745.1 Ų45.125%0.25124%0.236SC..Hα-helixtrans-61.6-38177.1-64.6-8.2000112.4L113 H119 Y126 T147 Y158L113-N115 VanDerWaalsContact C-N 3.27Å; L113-N115 PolarHBondContact O-N 2.78Å; N115-H119 WeakPolarHBondContact O-CB 3.32Å; N115-H119 PolarHBondContact O-N 2.87Å; N115-H119 VanDerWaalsContact O-N 3.08Å; N115-Y126 HydrophobicContact CB-CD1 3.94Å; N115-Y126 HydrophobicContact CB-CD2 3.65Å; N115-Y126 HydrophobicContact CB-CE1 3.89Å; N115-Y126 HydrophobicContact CB-CE2 3.61Å; N115-Y126 HydrophobicContact CB-CG 3.83Å; N115-Y126 VanDerWaalsContact ND2-CE2 3.3Å; N115-Y126 WeakPolarHBondContact ND2-CE2 3.31Å; N115-T147 PolarHBondContact OD1-OG1 2.98Å; N115-Y158 WeakPolarHBondContact OD1-CE2 3.31Å
116V97.8Very high97.2Very high14 Ų1445.4 Ų45.49%0.08523%0.234CC..Hα-helixtrans-71.5-43.4176.5-179.10000110Y26 L29 V30 L113 M114 G118 H119 V120 Y126Y26-V116 HydrophobicContact CD2-CB 4.04Å; Y26-V116 HydrophobicContact CD2-CG1 3.73Å; Y26-V116 HydrophobicContact CE2-CB 3.82Å; Y26-V116 HydrophobicContact CE2-CG1 3.94Å; L29-V116 HydrophobicContact CB-CG1 3.74Å; L29-V116 HydrophobicContact CD1-CG1 4.17Å; V30-V116 HydrophobicContact CG1-CB 4.17Å; V30-V116 HydrophobicContact CG1-CG1 3.82Å; V30-V116 HydrophobicContact CG1-CG2 4.09Å; L113-V116 HydrophobicContact CB-CB 4.31Å; L113-V116 HydrophobicContact CB-CG2 4.06Å; L113-V116 HydrophobicContact CD1-CG2 4.43Å; L113-V116 PolarHBondContact O-N 3.47Å; M114-V116 VanDerWaalsContact C-N 3.29Å; M114-V116 PolarHBondContact O-N 3.03Å; V116-G118 VanDerWaalsContact C-N 3.32Å; V116-G118 PolarHBondContact O-N 2.96Å; V116-H119 PolarHBondContact O-N 2.71Å; V116-V120 HydrophobicContact CG1-CG1 4.35Å; V116-V120 WeakPolarHBondContact O-CG1 3.4Å; V116-V120 WeakPolarHBondContact O-CG2 3.49Å; V116-V120 PolarHBondContact O-N 3.36Å; V116-Y126 HydrophobicContact CG2-CE1 4.34Å
117A98.2Very high97.4Very high5 Ų538.9 Ų38.94%0.04119%0.192CC..Hα-helixtrans-57.2-45.1175.700000111.7Y26 L46 V112 L113 M114 H119 V120 S121 V161Y26-A117 HydrophobicContact CD2-CB 4.24Å; Y26-A117 HydrophobicContact CE2-CB 4.46Å; L46-A117 HydrophobicContact CD1-CB 4.13Å; V112-A117 HydrophobicContact CG1-CB 4.31Å; L113-A117 PolarHBondContact O-N 3.23Å; L113-A117 VanDerWaalsContact O-N 3.12Å; M114-A117 PolarHBondContact O-N 3.03Å; A117-H119 PolarHBondContact O-N 3.33Å; A117-V120 WeakPolarHBondContact O-CG2 3.28Å; A117-V120 PolarHBondContact O-N 3.07Å; A117-S121 WeakPolarHBondContact O-CB 3.25Å; A117-S121 PolarHBondContact O-N 2.88Å; A117-S121 PolarHBondContact O-OG 2.79Å; A117-V161 HydrophobicContact CB-CG2 4.04Å
118G97.8Very high97.4Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-66.3-32.5175.900000115.3M114 V116 S121 G122 A123 A124M114-G118 PolarHBondContact O-N 3.28Å; V116-G118 VanDerWaalsContact C-N 3.32Å; V116-G118 PolarHBondContact O-N 2.96Å; G118-S121 PolarHBondContact O-OG 2.68Å; G118-G122 PolarHBondContact O-N 3.47Å; G118-A123 PolarHBondContact O-N 2.65Å; G118-A124 CarbonylContact C-O 3.52Å; G118-A124 PolarHBondContact O-N 3.16Å
119H97.6Very high97.5Very high51 Ų5129.5 Ų29.524%0.23615%0.147CC..Hα-helixtrans-68.6-49.8175-168.983.2000111.7N115 V116 A117 S121 G122 A124 Y126N115-H119 WeakPolarHBondContact O-CB 3.32Å; N115-H119 PolarHBondContact O-N 2.87Å; N115-H119 VanDerWaalsContact O-N 3.08Å; V116-H119 PolarHBondContact O-N 2.71Å; A117-H119 PolarHBondContact O-N 3.33Å; H119-S121 VanDerWaalsContact C-N 3.31Å; H119-S121 PolarHBondContact O-N 2.64Å; H119-G122 PolarHBondContact O-N 3.12Å; H119-G122 VanDerWaalsContact O-N 3.08Å; H119-A124 WeakPolarHBondContact CA-O 3.39Å; H119-Y126 PolarHBondContact ND1-N 3.23Å; H119-Y126 VanDerWaalsContact ND1-N 3.2Å
120V97.2Very high97.4Very high1 Ų129.5 Ų29.51%0.00616%0.161CC..Hα-helixtrans-72.9-24.6-175.6-56.30000113.1W25 L29 V116 A117 G122W25-V120 HydrophobicContact CB-CB 3.98Å; W25-V120 HydrophobicContact CB-CG1 4.36Å; W25-V120 HydrophobicContact CB-CG2 4.37Å; L29-V120 HydrophobicContact CD1-CG1 3.5Å; L29-V120 HydrophobicContact CG-CG1 4.28Å; V116-V120 HydrophobicContact CG1-CG1 4.35Å; V116-V120 WeakPolarHBondContact O-CG1 3.4Å; V116-V120 WeakPolarHBondContact O-CG2 3.49Å; V116-V120 PolarHBondContact O-N 3.36Å; A117-V120 WeakPolarHBondContact O-CG2 3.28Å; A117-V120 PolarHBondContact O-N 3.07Å; V120-G122 VanDerWaalsContact C-N 3.25Å
121S97.4Very high97.3Very high5 Ų529.2 Ų29.24%0.03516%0.156CC..THydrogen-bonded Turntrans-81.8-2.4171.979.40000113.2S19 L46 A117 G118 H119 A123 P175S19-S121 WeakPolarHBondContact CB-OG 3.14Å; L46-S121 WeakPolarHBondContact CD2-OG 3.38Å; A117-S121 WeakPolarHBondContact O-CB 3.25Å; A117-S121 PolarHBondContact O-N 2.88Å; A117-S121 PolarHBondContact O-OG 2.79Å; G118-S121 PolarHBondContact O-OG 2.68Å; H119-S121 VanDerWaalsContact C-N 3.31Å; H119-S121 PolarHBondContact O-N 2.64Å; S121-A123 PolarHBondContact O-N 3.19Å; S121-A123 WeakPolarHBondContact OG-CB 3.35Å; S121-A123 PolarHBondContact OG-N 2.91Å; S121-P175 VanDerWaalsContact O-CG 3.27Å; S121-P175 WeakPolarHBondContact O-CG 3.35Å
122G96.5Very high97.2Very high21 Ų2125.9 Ų25.922%0.21614%0.143CC..THydrogen-bonded Turntrans70.27.6-176.500000114.7G118 H119 V120G118-G122 PolarHBondContact O-N 3.47Å; H119-G122 PolarHBondContact O-N 3.12Å; H119-G122 VanDerWaalsContact O-N 3.08Å; V120-G122 VanDerWaalsContact C-N 3.25Å
123A96.6Very high97.1Very high7 Ų730.2 Ų30.26%0.05818%0.179CC..SBendtrans-68.8-38.3-176.100000112.2S19 L46 G118 S121 H149 P150S19-A123 WeakPolarHBondContact OG-CB 3.46Å; L46-A123 HydrophobicContact CD2-CB 3.85Å; G118-A123 PolarHBondContact O-N 2.65Å; S121-A123 PolarHBondContact O-N 3.19Å; S121-A123 WeakPolarHBondContact OG-CB 3.35Å; S121-A123 PolarHBondContact OG-N 2.91Å; A123-H149 PolarHBondContact O-CD2 3.14Å; A123-P150 WeakPolarHBondContact O-CD 2.89Å
124A97.3Very high96.9Very high0 Ų035.2 Ų35.20%020%0.199CC..SBendtrans-159.9140.9-176.800000111G118 H119 T147 L148 H149 F156G118-A124 CarbonylContact C-O 3.52Å; G118-A124 PolarHBondContact O-N 3.16Å; H119-A124 WeakPolarHBondContact CA-O 3.39Å; A124-T147 HydrophobicContact CB-CG2 3.28Å; A124-L148 CarbonylContact C-O 3.54Å; A124-L148 WeakPolarHBondContact CA-O 3.48Å; A124-L148 WeakPolarHBondContact CB-O 3.21Å; A124-H149 HydrophobicContact CB-CB 4.26Å; A124-F156 HydrophobicContact CB-CE1 4.46Å; A124-F156 HydrophobicContact CB-CE2 4.27Å; A124-F156 HydrophobicContact CB-CZ 3.76Å
125C97.6Very high96.8Very high2 Ų237.4 Ų37.41%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-78129.5-178.7-172.10000110.6Y127 T147 L148 V177 E178C125-Y127 HydrophobicContact CB-CD2 4.47Å; C125-Y127 HydrophobicContact CB-CE2 3.68Å; C125-Y127 WeakPolarHBondContact O-CD2 3.34Å; C125-Y127 VanDerWaalsContact SG-CZ 3.51Å; C125-T147 CarbonylContact O-C 3.6Å; C125-T147 VanDerWaalsContact O-CA 3.27Å; C125-T147 WeakPolarHBondContact O-CA 3.23Å; C125-T147 VanDerWaalsContact O-CG2 3.29Å; C125-T147 WeakPolarHBondContact O-CG2 3.38Å; C125-L148 PolarHBondContact N-O 2.79Å; C125-L148 PolarHBondContact O-N 2.87Å; C125-V177 HydrophobicContact CB-CG2 3.81Å; C125-E178 WeakPolarHBondContact CB-O 3.42Å
126Y98Very high96.7Very high35 Ų3538 Ų3814%0.13722%0.218CC..EExtended strand (participates in β ladder)trans-102.2109.9-178-180-144.8000108.5N115 V116 H119 Q128 T147N115-Y126 HydrophobicContact CB-CD1 3.94Å; N115-Y126 HydrophobicContact CB-CD2 3.65Å; N115-Y126 HydrophobicContact CB-CE1 3.89Å; N115-Y126 HydrophobicContact CB-CE2 3.61Å; N115-Y126 HydrophobicContact CB-CG 3.83Å; N115-Y126 VanDerWaalsContact ND2-CE2 3.3Å; N115-Y126 WeakPolarHBondContact ND2-CE2 3.31Å; V116-Y126 HydrophobicContact CG2-CE1 4.34Å; H119-Y126 PolarHBondContact ND1-N 3.23Å; H119-Y126 VanDerWaalsContact ND1-N 3.2Å; Y126-Q128 HydrophobicContact CD1-CG 3.79Å; Y126-Q128 HydrophobicContact CD2-CG 4.22Å; Y126-Q128 HydrophobicContact CE1-CG 3.46Å; Y126-Q128 VanDerWaalsContact CE1-CG 3.46Å; Y126-Q128 HydrophobicContact CE2-CG 3.91Å; Y126-Q128 HydrophobicContact CG-CG 4.17Å; Y126-T147 WeakPolarHBondContact CD2-OG1 3.19Å
127Y98.2Very high96.6Very high1 Ų138.7 Ų38.70%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-95.3128-179.9-60.8-86.9000109.9C125 D131 G145 L146 L148 R179 L180 L181 I187C125-Y127 HydrophobicContact CB-CD2 4.47Å; C125-Y127 HydrophobicContact CB-CE2 3.68Å; C125-Y127 WeakPolarHBondContact O-CD2 3.34Å; C125-Y127 VanDerWaalsContact SG-CZ 3.51Å; Y127-D131 VanDerWaalsContact CA-OD2 3.32Å; Y127-D131 WeakPolarHBondContact CA-OD2 3.36Å; Y127-G145 CarbonylContact O-C 3.59Å; Y127-G145 WeakPolarHBondContact O-CA 3.36Å; Y127-L146 PolarHBondContact N-O 3.25Å; Y127-L146 PolarHBondContact O-N 2.68Å; Y127-L148 HydrophobicContact CD2-CD1 4.08Å; Y127-L148 HydrophobicContact CD2-CG 4.3Å; Y127-L148 HydrophobicContact CE2-CB 4.09Å; Y127-L148 HydrophobicContact CE2-CD1 3.75Å; Y127-L148 HydrophobicContact CE2-CG 4.13Å; Y127-R179 HydrophobicContact CE1-CG 3.71Å; Y127-L180 PolarHBondContact OH-N 2.96Å; Y127-L181 HydrophobicContact CD1-CB 4.35Å; Y127-L181 HydrophobicContact CD1-CD1 4.41Å; Y127-L181 HydrophobicContact CD2-CD1 4.42Å; Y127-L181 HydrophobicContact CE1-CB 3.64Å; Y127-L181 HydrophobicContact CE1-CD1 4.25Å; Y127-L181 HydrophobicContact CE1-CG 4.06Å; Y127-L181 HydrophobicContact CE2-CD1 4.29Å; Y127-L181 HydrophobicContact CE2-CG 4.28Å; Y127-L181 HydrophobicContact CG-CD1 4.47Å; Y127-L181 PolarHBondContact OH-N 2.89Å; Y127-I187 HydrophobicContact CD1-CD1 4.17Å; Y127-I187 HydrophobicContact CD1-CG1 3.85Å; Y127-I187 HydrophobicContact CD1-CG2 4.44Å; Y127-I187 HydrophobicContact CE1-CG1 4.26Å
128Q96.9Very high96.5Very high68 Ų6842.9 Ų42.932%0.31824%0.24SC..  trans-127.4159.7-175.2-64.4-177.494.200111.6Y126 S130 D131Y126-Q128 HydrophobicContact CD1-CG 3.79Å; Y126-Q128 HydrophobicContact CD2-CG 4.22Å; Y126-Q128 HydrophobicContact CE1-CG 3.46Å; Y126-Q128 VanDerWaalsContact CE1-CG 3.46Å; Y126-Q128 HydrophobicContact CE2-CG 3.91Å; Y126-Q128 HydrophobicContact CG-CG 4.17Å; Q128-S130 WeakPolarHBondContact CB-OG 3.38Å; Q128-S130 PolarHBondContact O-N 2.87Å; Q128-D131 PolarHBondContact N-OD2 3.36Å; Q128-D131 VanDerWaalsContact O-CB 3.31Å; Q128-D131 WeakPolarHBondContact O-CB 3.43Å; Q128-D131 PolarHBondContact O-N 3.36Å
129R96.8Very high96.3Very high50 Ų5051.9 Ų51.919%0.18928%0.276CS..G310 helixtrans-54.8-33.1171.4-178.4174.2174.91597.6111.9D131 L132 D135 W137 D138 K141 I143R129-D131 PolarHBondContact O-N 3.45Å; R129-L132 PolarHBondContact O-N 2.83Å; R129-D135 IonicContact CZ-OD1 3.6Å; R129-D135 IonicContact CZ-OD2 3.82Å; R129-D135 IonicContact NE-OD1 3.56Å; R129-D135 PolarHBondContact NE-OD1 2.77Å; R129-D135 VanDerWaalsContact NE-OD1 3.16Å; R129-D135 IonicContact NE-OD2 3.14Å; R129-D135 PolarHBondContact NE-OD2 3.22Å; R129-D135 IonicContact NH2-OD1 3.43Å; R129-D135 PolarHBondContact NH2-OD1 3.2Å; R129-D135 IonicContact NH2-OD2 2.8Å; R129-D135 PolarHBondContact NH2-OD2 3.18Å; R129-W137 HydrophobicContact CB-CZ3 4.46Å; R129-W137 HydrophobicContact CG-CE3 4.08Å; R129-W137 HydrophobicContact CG-CZ3 4.16Å; R129-W137 PolarHBondContact NH2-O 3.35Å; R129-D138 PolarHBondContact NH1-O 2.8Å; R129-D138 PolarHBondContact NH2-O 3.39Å; R129-K141 PolarHBondContact NH1-O 3.47Å; R129-I143 HydrophobicContact CB-CB 4.43Å
130S94.6Very high96.1Very high92 Ų9254.6 Ų54.664%0.64329%0.292SS*.G310 helixtrans-69.9-11.1176.454.10000114.8Q128 L132Q128-S130 WeakPolarHBondContact CB-OG 3.38Å; Q128-S130 PolarHBondContact O-N 2.87Å; S130-L132 VanDerWaalsContact C-N 3.3Å
131D94.3Very high96.1Very high48 Ų4859.6 Ų59.626%0.25731%0.314SS..G310 helixtrans-85-7.7-180-57.8-14.9000112.6Y127 Q128 R129 R179Y127-D131 VanDerWaalsContact CA-OD2 3.32Å; Y127-D131 WeakPolarHBondContact CA-OD2 3.36Å; Q128-D131 PolarHBondContact N-OD2 3.36Å; Q128-D131 VanDerWaalsContact O-CB 3.31Å; Q128-D131 WeakPolarHBondContact O-CB 3.43Å; Q128-D131 PolarHBondContact O-N 3.36Å; R129-D131 PolarHBondContact O-N 3.45Å; D131-R179 IonicContact OD2-NH1 3.92Å; D131-R179 PolarHBondContact OD2-NH1 2.97Å
132L96.4Very high96Very high19 Ų1970 Ų7010%0.09935%0.352CS..  trans-90.1138.7-177.2-59.5176.6000110.8R129 S130 W137 D184 I187 I188R129-L132 PolarHBondContact O-N 2.83Å; S130-L132 VanDerWaalsContact C-N 3.3Å; L132-W137 HydrophobicContact CD1-CE3 4.41Å; L132-W137 HydrophobicContact CD1-CH2 3.99Å; L132-W137 HydrophobicContact CD1-CZ3 3.5Å; L132-W137 VanDerWaalsContact CD1-CZ3 3.5Å; L132-D184 HydrophobicContact CD2-CB 3.94Å; L132-I187 HydrophobicContact CD2-CB 3.82Å; L132-I187 HydrophobicContact CD2-CD1 4.45Å; L132-I187 HydrophobicContact CD2-CG2 3.67Å; L132-I187 HydrophobicContact CG-CG2 4.43Å; L132-I188 HydrophobicContact CD1-CD1 4.26Å; L132-I188 HydrophobicContact CD1-CG1 3.61Å; L132-I188 HydrophobicContact CD2-CD1 4.37Å; L132-I188 HydrophobicContact CD2-CG1 3.87Å; L132-I188 HydrophobicContact CG-CG1 4.41Å
133A95.6Very high96Very high99 Ų9969.9 Ų69.982%0.81835%0.346SS*.SBendtrans-72.6-37.6172.200000111.4D184A133-D184 WeakPolarHBondContact CB-OD2 3.29Å; A133-D184 PolarHBondContact N-OD2 3.19Å
134F94.5Very high96.1Very high158 Ų15871.5 Ų71.569%0.69336%0.359SS*.SBendtrans-124.7117.9174.1-176.2-95.4000110.7P136F134-P136 WeakPolarHBondContact O-CD 3.35Å
135D95.1Very high96.1Very high62 Ų6271.8 Ų71.833%0.33236%0.363SS..  trans-87.9112.6-177.4178.52.8000111.1R129 W137R129-D135 IonicContact CZ-OD1 3.6Å; R129-D135 IonicContact CZ-OD2 3.82Å; R129-D135 IonicContact NE-OD1 3.56Å; R129-D135 PolarHBondContact NE-OD1 2.77Å; R129-D135 VanDerWaalsContact NE-OD1 3.16Å; R129-D135 IonicContact NE-OD2 3.14Å; R129-D135 PolarHBondContact NE-OD2 3.22Å; R129-D135 IonicContact NH2-OD1 3.43Å; R129-D135 PolarHBondContact NH2-OD1 3.2Å; R129-D135 IonicContact NH2-OD2 2.8Å; R129-D135 PolarHBondContact NH2-OD2 3.18Å; D135-W137 VanDerWaalsContact C-N 3.33Å; D135-W137 PolarHBondContact O-N 3Å; D135-W137 PolarHBondContact OD1-N 3.4Å; D135-W137 VanDerWaalsContact OD1-N 3.14Å
136P96.2Very high96.1Very high60 Ų6072 Ų7239%0.3936%0.363SS..  trans-84-5.9-173.936.1-38.6000113.6F134 I188F134-P136 WeakPolarHBondContact O-CD 3.35Å; P136-I188 HydrophobicContact CG-CD1 3.88Å; P136-I188 HydrophobicContact CG-CG1 3.96Å; P136-I188 HydrophobicContact CG-CG2 4.05Å
137W96.7Very high96.1Very high29 Ų2970.8 Ų70.811%0.1136%0.36CS..SBendtrans-97.8152.4-174.6-60.1-69.4000112.2R129 L132 D135 Y139 I143 I188 L191 Q192 F196R129-W137 HydrophobicContact CB-CZ3 4.46Å; R129-W137 HydrophobicContact CG-CE3 4.08Å; R129-W137 HydrophobicContact CG-CZ3 4.16Å; R129-W137 PolarHBondContact NH2-O 3.35Å; L132-W137 HydrophobicContact CD1-CE3 4.41Å; L132-W137 HydrophobicContact CD1-CH2 3.99Å; L132-W137 HydrophobicContact CD1-CZ3 3.5Å; L132-W137 VanDerWaalsContact CD1-CZ3 3.5Å; D135-W137 VanDerWaalsContact C-N 3.33Å; D135-W137 PolarHBondContact O-N 3Å; D135-W137 PolarHBondContact OD1-N 3.4Å; D135-W137 VanDerWaalsContact OD1-N 3.14Å; W137-Y139 PolarHBondContact O-N 3.16Å; W137-I143 HydrophobicContact CB-CD1 4.27Å; W137-I143 HydrophobicContact CB-CG1 4.16Å; W137-I143 HydrophobicContact CD2-CD1 3.76Å; W137-I143 HydrophobicContact CD2-CG1 3.63Å; W137-I143 HydrophobicContact CE3-CB 4.43Å; W137-I143 HydrophobicContact CE3-CD1 4.36Å; W137-I143 HydrophobicContact CE3-CG1 3.73Å; W137-I143 HydrophobicContact CE3-CG2 4.29Å; W137-I143 HydrophobicContact CG-CD1 3.69Å; W137-I143 HydrophobicContact CG-CG1 3.83Å; W137-I143 HydrophobicContact CH2-CG2 4.11Å; W137-I143 HydrophobicContact CZ2-CG2 4.35Å; W137-I143 HydrophobicContact CZ3-CG1 4.36Å; W137-I143 HydrophobicContact CZ3-CG2 4.06Å; W137-I188 HydrophobicContact CH2-CG1 4.38Å; W137-I188 HydrophobicContact CZ2-CG2 4.27Å; W137-L191 HydrophobicContact CH2-CB 3.65Å; W137-L191 HydrophobicContact CH2-CD1 3.71Å; W137-L191 HydrophobicContact CH2-CG 4.33Å; W137-L191 HydrophobicContact CZ2-CB 3.97Å; W137-L191 HydrophobicContact CZ3-CD1 4.14Å; W137-Q192 HydrophobicContact CZ2-CG 3.86Å; W137-F196 AromaticContact NE1-CE2 3.71Å
138D95.5Very high96.1Very high92 Ų9270.9 Ų70.949%0.49236%0.36SS..  trans-53.9141.8170.3-178.2-92.7000111.5R129 N140 K141R129-D138 PolarHBondContact NH1-O 2.8Å; R129-D138 PolarHBondContact NH2-O 3.39Å; D138-N140 PolarHBondContact O-N 3.24Å; D138-N140 WeakPolarHBondContact OD1-CA 3.26Å; D138-N140 VanDerWaalsContact OD1-CB 3.25Å; D138-N140 WeakPolarHBondContact OD1-CB 3.38Å; D138-N140 PolarHBondContact OD1-N 3.34Å; D138-N140 PolarHBondContact OD1-ND2 2.78Å; D138-K141 HydrophobicContact CB-CB 4.22Å; D138-K141 VanDerWaalsContact O-CB 3.31Å; D138-K141 WeakPolarHBondContact O-CB 3.36Å; D138-K141 PolarHBondContact O-N 2.96Å
139Y92.4Very high96.1Very high189 Ų18968.6 Ų68.674%0.74135%0.35SS*.THydrogen-bonded Turntrans-63.1-28.3-175.376.9-86000112.9W137 K141W137-Y139 PolarHBondContact O-N 3.16Å; Y139-K141 VanDerWaalsContact C-N 3.34Å
140N95Very high96.1Very high108 Ų10867.7 Ų67.758%0.57835%0.351SS*.THydrogen-bonded Turntrans-82.7-13.3175.5-59.1-62.3000112.7D138 R142D138-N140 PolarHBondContact O-N 3.24Å; D138-N140 WeakPolarHBondContact OD1-CA 3.26Å; D138-N140 VanDerWaalsContact OD1-CB 3.25Å; D138-N140 WeakPolarHBondContact OD1-CB 3.38Å; D138-N140 PolarHBondContact OD1-N 3.34Å; D138-N140 PolarHBondContact OD1-ND2 2.78Å; N140-R142 PolarHBondContact O-N 2.95Å
141K96Very high96.1Very high106 Ų10667.4 Ų67.446%0.46134%0.342SS..SBendtrans-76111-177.1-168.473.1177.3-1730110R129 D138 Y139 I143R129-K141 PolarHBondContact NH1-O 3.47Å; D138-K141 HydrophobicContact CB-CB 4.22Å; D138-K141 VanDerWaalsContact O-CB 3.31Å; D138-K141 WeakPolarHBondContact O-CB 3.36Å; D138-K141 PolarHBondContact O-N 2.96Å; Y139-K141 VanDerWaalsContact C-N 3.34Å; K141-I143 HydrophobicContact CG-CD1 3.89Å; K141-I143 PolarHBondContact O-N 2.65Å
142R95.7Very high96.3Very high224 Ų22467 Ų6785%0.84534%0.337SS*.  trans-66.5122.1171.4-171.8176.3178.5-174.4-1110.3N140N140-R142 PolarHBondContact O-N 2.95Å
143I97.7Very high96.3Very high19 Ų1966 Ų6610%0.09733%0.332CS..  trans-113.3112.4172.6-54.9-61.6000107.3R129 W137 K141 L191 F196R129-I143 HydrophobicContact CB-CB 4.43Å; W137-I143 HydrophobicContact CB-CD1 4.27Å; W137-I143 HydrophobicContact CB-CG1 4.16Å; W137-I143 HydrophobicContact CD2-CD1 3.76Å; W137-I143 HydrophobicContact CD2-CG1 3.63Å; W137-I143 HydrophobicContact CE3-CB 4.43Å; W137-I143 HydrophobicContact CE3-CD1 4.36Å; W137-I143 HydrophobicContact CE3-CG1 3.73Å; W137-I143 HydrophobicContact CE3-CG2 4.29Å; W137-I143 HydrophobicContact CG-CD1 3.69Å; W137-I143 HydrophobicContact CG-CG1 3.83Å; W137-I143 HydrophobicContact CH2-CG2 4.11Å; W137-I143 HydrophobicContact CZ2-CG2 4.35Å; W137-I143 HydrophobicContact CZ3-CG1 4.36Å; W137-I143 HydrophobicContact CZ3-CG2 4.06Å; K141-I143 HydrophobicContact CG-CD1 3.89Å; K141-I143 PolarHBondContact O-N 2.65Å; I143-L191 HydrophobicContact CG2-CB 4.33Å; I143-L191 HydrophobicContact CG2-CD1 4.44Å; I143-F196 HydrophobicContact CD1-CE2 4.37Å; I143-F196 HydrophobicContact CD1-CZ 3.66Å
144A97.1Very high96.4Very high40 Ų4061.5 Ų61.533%0.33129%0.294SS..  trans-71.9135.5173.200000109.5Y194 N195A144-Y194 HydrophobicContact CB-CE1 3.99Å; A144-N195 WeakPolarHBondContact CB-OD1 3.39Å; A144-N195 PolarHBondContact N-OD1 3.21Å; A144-N195 PolarHBondContact O-ND2 3.44Å
145G97.6Very high96.6Very high7 Ų754.4 Ų54.47%0.07226%0.263CS..  trans-67.8156.8172.500000111.9Y127 Y194Y127-G145 CarbonylContact O-C 3.59Å; Y127-G145 WeakPolarHBondContact O-CA 3.36Å; G145-Y194 WeakPolarHBondContact O-CE1 3.47Å
146L97.9Very high96.7Very high5 Ų552.2 Ų52.23%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-119.5137.9-178.1169.863.8000109.6Y127 L148 A190 L191 Y194 Y203Y127-L146 PolarHBondContact N-O 3.25Å; Y127-L146 PolarHBondContact O-N 2.68Å; L146-L148 HydrophobicContact CD1-CD2 4.39Å; L146-L148 HydrophobicContact CD2-CD1 4.49Å; L146-L148 HydrophobicContact CD2-CD2 4.04Å; L146-L148 HydrophobicContact CD2-CG 4.26Å; L146-L148 HydrophobicContact CG-CD2 4.19Å; L146-L148 HydrophobicContact CG-CG 4.26Å; L146-A190 HydrophobicContact CD2-CB 3.9Å; L146-L191 HydrophobicContact CB-CD2 3.8Å; L146-Y194 HydrophobicContact CB-CD1 4.09Å; L146-Y194 HydrophobicContact CB-CG 4.22Å; L146-Y194 HydrophobicContact CD1-CD1 4.43Å; L146-Y194 HydrophobicContact CD1-CD2 3.82Å; L146-Y194 HydrophobicContact CD1-CE2 4.22Å; L146-Y194 HydrophobicContact CD1-CG 3.93Å; L146-Y194 HydrophobicContact CG-CG 4.49Å; L146-Y203 HydrophobicContact CD1-CD2 3.43Å; L146-Y203 VanDerWaalsContact CD1-CD2 3.43Å; L146-Y203 HydrophobicContact CD1-CE2 3.64Å; L146-Y203 HydrophobicContact CD2-CD2 4.13Å; L146-Y203 HydrophobicContact CG-CD2 4.44Å
147T98Very high96.7Very high11 Ų1150.5 Ų50.57%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-108137.2171.3-47.80000111.2N115 A124 C125 Y126 F156 Y158N115-T147 PolarHBondContact OD1-OG1 2.98Å; A124-T147 HydrophobicContact CB-CG2 3.28Å; C125-T147 CarbonylContact O-C 3.6Å; C125-T147 VanDerWaalsContact O-CA 3.27Å; C125-T147 WeakPolarHBondContact O-CA 3.23Å; C125-T147 VanDerWaalsContact O-CG2 3.29Å; C125-T147 WeakPolarHBondContact O-CG2 3.38Å; Y126-T147 WeakPolarHBondContact CD2-OG1 3.19Å; T147-F156 HydrophobicContact CG2-CZ 4.06Å; T147-Y158 HydrophobicContact CG2-CE2 4.34Å; T147-Y158 WeakPolarHBondContact CG2-OH 3.24Å
148L98.2Very high96.7Very high2 Ų250 Ų501%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-123.3124.7176.3-60171.2000110.4A124 C125 Y127 L146 G153 L181 V206A124-L148 CarbonylContact C-O 3.54Å; A124-L148 WeakPolarHBondContact CA-O 3.48Å; A124-L148 WeakPolarHBondContact CB-O 3.21Å; C125-L148 PolarHBondContact N-O 2.79Å; C125-L148 PolarHBondContact O-N 2.87Å; Y127-L148 HydrophobicContact CD2-CD1 4.08Å; Y127-L148 HydrophobicContact CD2-CG 4.3Å; Y127-L148 HydrophobicContact CE2-CB 4.09Å; Y127-L148 HydrophobicContact CE2-CD1 3.75Å; Y127-L148 HydrophobicContact CE2-CG 4.13Å; L146-L148 HydrophobicContact CD1-CD2 4.39Å; L146-L148 HydrophobicContact CD2-CD1 4.49Å; L146-L148 HydrophobicContact CD2-CD2 4.04Å; L146-L148 HydrophobicContact CD2-CG 4.26Å; L146-L148 HydrophobicContact CG-CD2 4.19Å; L146-L148 HydrophobicContact CG-CG 4.26Å; L148-G153 WeakPolarHBondContact CA-O 3.39Å; L148-L181 HydrophobicContact CD1-CD1 3.7Å; L148-L181 HydrophobicContact CD1-CD2 4.42Å; L148-L181 HydrophobicContact CD1-CG 4.02Å; L148-V206 HydrophobicContact CD1-CG2 3.41Å; L148-V206 VanDerWaalsContact CD1-CG2 3.41Å; L148-V206 HydrophobicContact CD2-CG2 3.99Å; L148-V206 HydrophobicContact CG-CG2 4.36Å
149H97.6Very high96.8Very high21 Ų2146.2 Ų46.210%0.09722%0.219CC..BIsolated β-bridgetrans-79.6137.8171.9-175.9-79.3000109.5A123 A124 N151 Y152 G153 F156 Q207A123-H149 PolarHBondContact O-CD2 3.14Å; A124-H149 HydrophobicContact CB-CB 4.26Å; H149-N151 VanDerWaalsContact C-N 3.31Å; H149-N151 PolarHBondContact ND1-N 3.13Å; H149-N151 PolarHBondContact O-N 3.02Å; H149-Y152 HydrophobicContact CB-CD2 4.42Å; H149-Y152 AromaticContact CE1-CD2 3.38Å; H149-Y152 WeakPolarHBondContact CE1-CD2 3.28Å; H149-Y152 AromaticContact CE1-CE2 3.54Å; H149-Y152 AromaticContact CG-CD2 3.67Å; H149-Y152 AromaticContact ND1-CD2 3.19Å; H149-Y152 WeakPolarHBondContact ND1-CD2 3.15Å; H149-Y152 AromaticContact ND1-CE2 3.84Å; H149-Y152 AromaticContact ND1-CG 3.87Å; H149-Y152 PolarHBondContact ND1-N 2.96Å; H149-Y152 AromaticContact NE2-CD2 3.9Å; H149-Y152 PolarHBondContact O-N 2.63Å; H149-G153 PolarHBondContact N-O 3.18Å; H149-G153 VanDerWaalsContact O-CA 3.31Å; H149-G153 WeakPolarHBondContact O-CA 3.38Å; H149-G153 PolarHBondContact O-N 2.65Å; H149-F156 HydrophobicContact CB-CD1 3.6Å; H149-F156 HydrophobicContact CB-CE1 3.71Å; H149-F156 HydrophobicContact CB-CG 4.05Å; H149-F156 HydrophobicContact CB-CZ 4.23Å; H149-Q207 PolarHBondContact O-NE2 3.26Å
150P96Very high97Very high31 Ų3137.2 Ų37.220%0.20118%0.184CC..THydrogen-bonded Turntrans-55.9-43.2-176.320.7-33000113.4A123 E178 L180 Q207A123-P150 WeakPolarHBondContact O-CD 2.89Å; P150-E178 HydrophobicContact CB-CB 4.5Å; P150-E178 VanDerWaalsContact CB-OE2 3.23Å; P150-E178 WeakPolarHBondContact CB-OE2 3.26Å; P150-L180 HydrophobicContact CB-CD1 4.21Å; P150-Q207 PolarHBondContact O-NE2 3.15Å
151N95.7Very high97.2Very high86 Ų8632.3 Ų32.346%0.4616%0.157SC..THydrogen-bonded Turntrans-85.2-28.1-180-58.4-32.1000114.9H149 V209 S210H149-N151 VanDerWaalsContact C-N 3.31Å; H149-N151 PolarHBondContact ND1-N 3.13Å; H149-N151 PolarHBondContact O-N 3.02Å; N151-V209 CarbonylContact O-C 3.03Å; N151-V209 WeakPolarHBondContact O-CA 3.35Å; N151-S210 PolarHBondContact O-N 3.19Å; N151-S210 PolarHBondContact O-OG 2.9Å; N151-S210 VanDerWaalsContact O-OG 3.07Å
152Y97.2Very high97.3Very high38 Ų3827.4 Ų27.415%0.14914%0.136CC..THydrogen-bonded Turntrans-115.6-3.5-167.8-54.4-61.7000112.5T50 P51 H149 G154 W155 V209 E211T50-Y152 HydrophobicContact CG2-CD2 4.47Å; T50-Y152 HydrophobicContact CG2-CE2 3.63Å; P51-Y152 HydrophobicContact CG-CD1 4.09Å; P51-Y152 HydrophobicContact CG-CE1 4.49Å; H149-Y152 HydrophobicContact CB-CD2 4.42Å; H149-Y152 AromaticContact CE1-CD2 3.38Å; H149-Y152 WeakPolarHBondContact CE1-CD2 3.28Å; H149-Y152 AromaticContact CE1-CE2 3.54Å; H149-Y152 AromaticContact CG-CD2 3.67Å; H149-Y152 AromaticContact ND1-CD2 3.19Å; H149-Y152 WeakPolarHBondContact ND1-CD2 3.15Å; H149-Y152 AromaticContact ND1-CE2 3.84Å; H149-Y152 AromaticContact ND1-CG 3.87Å; H149-Y152 PolarHBondContact ND1-N 2.96Å; H149-Y152 AromaticContact NE2-CD2 3.9Å; H149-Y152 PolarHBondContact O-N 2.63Å; Y152-G154 PolarHBondContact O-N 3.2Å; Y152-G154 VanDerWaalsContact O-N 3.16Å; Y152-W155 WeakPolarHBondContact O-CA 3.45Å; Y152-W155 VanDerWaalsContact O-CB 3.24Å; Y152-W155 WeakPolarHBondContact O-CB 3.28Å; Y152-W155 PolarHBondContact O-N 3.34Å; Y152-V209 WeakPolarHBondContact O-CG1 3.36Å; Y152-E211 HydrophobicContact CD1-CB 4Å; Y152-E211 HydrophobicContact CE1-CB 3.91Å
153G97.6Very high97.4Very high0 Ų016.9 Ų16.90%010%0.096CC..BIsolated β-bridgetrans53.9-122.7-170.700000109.6L148 H149 F156L148-G153 WeakPolarHBondContact CA-O 3.39Å; H149-G153 PolarHBondContact N-O 3.18Å; H149-G153 VanDerWaalsContact O-CA 3.31Å; H149-G153 WeakPolarHBondContact O-CA 3.38Å; H149-G153 PolarHBondContact O-N 2.65Å; G153-F156 VanDerWaalsContact O-CD1 3.26Å; G153-F156 WeakPolarHBondContact O-CD1 3.31Å; G153-F156 WeakPolarHBondContact O-CE1 3.36Å
154G97.6Very high97.4Very high3 Ų317 Ų173%0.03110%0.096CC..THydrogen-bonded Turntrans-87.80173.300000114.6Y152 F156 R204Y152-G154 PolarHBondContact O-N 3.2Å; Y152-G154 VanDerWaalsContact O-N 3.16Å; G154-F156 PolarHBondContact O-N 3.17Å; G154-R204 PolarHBondContact N-O 2.96Å; G154-R204 PolarHBondContact O-NH1 2.95Å
155W97.6Very high97.4Very high10 Ų1016.4 Ų16.44%0.0389%0.089CC..SBendtrans-79.849.8-178.1-61.7102.4000113.3P51 Y152 A201 R204 D205 R212 Y213 R218P51-W155 WeakPolarHBondContact CD-O 3.37Å; P51-W155 HydrophobicContact CG-CB 4.33Å; P51-W155 WeakPolarHBondContact CG-O 3.06Å; Y152-W155 WeakPolarHBondContact O-CA 3.45Å; Y152-W155 VanDerWaalsContact O-CB 3.24Å; Y152-W155 WeakPolarHBondContact O-CB 3.28Å; Y152-W155 PolarHBondContact O-N 3.34Å; W155-A201 HydrophobicContact CH2-CB 3.84Å; W155-A201 HydrophobicContact CZ2-CB 4.19Å; W155-R204 HydrophobicContact CD2-CB 3.97Å; W155-R204 HydrophobicContact CD2-CG 4.4Å; W155-R204 VanDerWaalsContact CE3-CD 3.48Å; W155-R204 HydrophobicContact CG-CB 4.03Å; W155-R204 HydrophobicContact CZ2-CB 4.21Å; W155-D205 WeakPolarHBondContact CZ2-OD2 3.35Å; W155-D205 VanDerWaalsContact NE1-CG 3.34Å; W155-D205 PolarHBondContact NE1-OD1 3.06Å; W155-D205 PolarHBondContact NE1-OD2 3.43Å; W155-R212 HydrophobicContact CD2-CB 4Å; W155-R212 HydrophobicContact CD2-CG 4.25Å; W155-R212 HydrophobicContact CG-CB 4.16Å; W155-R212 HydrophobicContact CG-CG 4.17Å; W155-R212 HydrophobicContact CZ2-CB 4.5Å; W155-Y213 VanDerWaalsContact C-CE1 3.46Å; W155-Y213 HydrophobicContact CB-CD1 4.22Å; W155-Y213 HydrophobicContact CB-CE1 4.26Å; W155-Y213 AromaticContact CE3-CD1 3.85Å; W155-Y213 HydrophobicContact CE3-CD1 3.85Å; W155-Y213 AromaticContact CE3-CD2 3.6Å; W155-Y213 HydrophobicContact CE3-CD2 3.6Å; W155-Y213 HydrophobicContact CE3-CE1 4.46Å; W155-Y213 HydrophobicContact CE3-CE2 4.24Å; W155-Y213 AromaticContact CE3-CG 3.38Å; W155-Y213 HydrophobicContact CE3-CG 3.38Å; W155-Y213 AromaticContact CZ3-CD2 3.79Å; W155-Y213 HydrophobicContact CZ3-CD2 3.79Å; W155-Y213 AromaticContact CZ3-CG 3.8Å; W155-Y213 HydrophobicContact CZ3-CG 3.8Å; W155-Y213 VanDerWaalsContact O-CE1 3.24Å; W155-Y213 WeakPolarHBondContact O-CE1 3.23Å; W155-R218 HydrophobicContact CH2-CG 4.17Å; W155-R218 HydrophobicContact CZ3-CG 3.91Å
156F97Very high97.3Very high15 Ų1522 Ų227%0.06612%0.117CC..  trans-150174.7175.481-72.4000109.7I48 N49 A124 T147 H149 G153 G154 Y158 Y213I48-F156 HydrophobicContact CB-CD2 4.11Å; I48-F156 HydrophobicContact CD1-CD2 4.11Å; I48-F156 HydrophobicContact CG2-CD2 4.09Å; I48-F156 HydrophobicContact CG2-CE2 4.2Å; N49-F156 VanDerWaalsContact O-CA 3.31Å; N49-F156 WeakPolarHBondContact O-CA 3.48Å; N49-F156 VanDerWaalsContact O-CB 3.28Å; N49-F156 WeakPolarHBondContact O-CB 3.26Å; A124-F156 HydrophobicContact CB-CE1 4.46Å; A124-F156 HydrophobicContact CB-CE2 4.27Å; A124-F156 HydrophobicContact CB-CZ 3.76Å; T147-F156 HydrophobicContact CG2-CZ 4.06Å; H149-F156 HydrophobicContact CB-CD1 3.6Å; H149-F156 HydrophobicContact CB-CE1 3.71Å; H149-F156 HydrophobicContact CB-CG 4.05Å; H149-F156 HydrophobicContact CB-CZ 4.23Å; G153-F156 VanDerWaalsContact O-CD1 3.26Å; G153-F156 WeakPolarHBondContact O-CD1 3.31Å; G153-F156 WeakPolarHBondContact O-CE1 3.36Å; G154-F156 PolarHBondContact O-N 3.17Å; F156-Y158 HydrophobicContact CE2-CD1 4.21Å; F156-Y158 AromaticContact CE2-CE1 3.81Å; F156-Y158 HydrophobicContact CE2-CE1 3.81Å; F156-Y158 HydrophobicContact CE2-CE2 4.24Å; F156-Y158 AromaticContact CE2-CZ 3.88Å; F156-Y158 HydrophobicContact CZ-CE1 4.45Å; F156-Y158 HydrophobicContact CZ-CE2 4.36Å; F156-Y213 VanDerWaalsContact C-OH 3.32Å; F156-Y213 PolarHBondContact O-OH 3.03Å
157A96.5Very high97.3Very high25 Ų2525.7 Ų25.721%0.20714%0.137CC..EExtended strand (participates in β ladder)trans-145.6144.1170.400000111I48 N49I48-A157 CarbonylContact C-O 3.51Å; I48-A157 VanDerWaalsContact CA-O 3.28Å; I48-A157 WeakPolarHBondContact CA-O 3.47Å; N49-A157 PolarHBondContact N-O 2.78Å; N49-A157 PolarHBondContact O-N 3.31Å
158Y97.5Very high97.3Very high17 Ų1729.6 Ų29.67%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-69.3147.8165.3-60-65.3000110.5L46 I48 M114 N115 T147 F156L46-Y158 HydrophobicContact CD1-CD1 3.9Å; L46-Y158 HydrophobicContact CD1-CE1 4.44Å; L46-Y158 HydrophobicContact CD2-CD1 3.92Å; L46-Y158 HydrophobicContact CD2-CE1 3.72Å; L46-Y158 HydrophobicContact CG-CD1 4.23Å; I48-Y158 HydrophobicContact CG2-CD1 3.56Å; I48-Y158 HydrophobicContact CG2-CE1 3.93Å; M114-Y158 HydrophobicContact CB-CD2 3.62Å; M114-Y158 HydrophobicContact CB-CE2 4.35Å; M114-Y158 HydrophobicContact CB-CG 3.7Å; M114-Y158 HydrophobicContact CG-CG 4.49Å; N115-Y158 WeakPolarHBondContact OD1-CE2 3.31Å; T147-Y158 HydrophobicContact CG2-CE2 4.34Å; T147-Y158 WeakPolarHBondContact CG2-OH 3.24Å; F156-Y158 HydrophobicContact CE2-CD1 4.21Å; F156-Y158 AromaticContact CE2-CE1 3.81Å; F156-Y158 HydrophobicContact CE2-CE1 3.81Å; F156-Y158 HydrophobicContact CE2-CE2 4.24Å; F156-Y158 AromaticContact CE2-CZ 3.88Å; F156-Y158 HydrophobicContact CZ-CE1 4.45Å; F156-Y158 HydrophobicContact CZ-CE2 4.36Å
159R96.4Very high97.2Very high14 Ų1431 Ų315%0.05317%0.165CC..EExtended strand (participates in β ladder)trans-129.7-41.9177.1-68.7-55178.7-177.7-2.1115.2V47 N49 I77 D78 M81 Q100 D101V47-R159 PolarHBondContact O-N 3.07Å; N49-R159 HydrophobicContact CB-CG 4.37Å; N49-R159 PolarHBondContact ND2-NE 3.37Å; N49-R159 WeakPolarHBondContact OD1-CG 3.35Å; I77-R159 VanDerWaalsContact CG2-NH2 3.33Å; D78-R159 IonicContact OD1-NH1 3.73Å; M81-R159 HydrophobicContact CE-CB 4.06Å; M81-R159 HydrophobicContact CE-CG 3.87Å; M81-R159 HydrophobicContact CG-CG 4.34Å; M81-R159 HydrophobicContact SD-CG 4.34Å; Q100-R159 CarbonylContact C-O 3.55Å; Q100-R159 WeakPolarHBondContact CA-O 3.22Å; D101-R159 PolarHBondContact N-O 2.78Å
160A97.7Very high97.2Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-155159.7-178.900000112.1V47 I85 I99 Q100 F162V47-A160 HydrophobicContact CB-CB 4.33Å; V47-A160 PolarHBondContact N-O 3.25Å; V47-A160 PolarHBondContact O-N 2.82Å; I85-A160 HydrophobicContact CD1-CB 3.72Å; I99-A160 CarbonylContact O-C 3.57Å; I99-A160 WeakPolarHBondContact O-CA 3.48Å; Q100-A160 HydrophobicContact CG-CB 4.4Å; A160-F162 HydrophobicContact CB-CD1 4.36Å; A160-F162 HydrophobicContact CB-CE1 3.87Å
161V98.1Very high97.2Very high4 Ų438.1 Ų38.12%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-119.9127.6158.6-175.30000107.8A44 V45 L46 I99 V112 M114 A117 F163A44-V161 HydrophobicContact CB-CG1 3.96Å; V45-V161 CarbonylContact O-C 3.6Å; V45-V161 WeakPolarHBondContact O-CA 3.35Å; L46-V161 HydrophobicContact CD1-CG2 3.64Å; I99-V161 PolarHBondContact N-O 3.49Å; I99-V161 PolarHBondContact O-N 2.94Å; V112-V161 HydrophobicContact CG1-CG2 4.14Å; M114-V161 HydrophobicContact CE-CG2 4.22Å; M114-V161 HydrophobicContact SD-CG2 3.76Å; A117-V161 HydrophobicContact CB-CG2 4.04Å; V161-F163 HydrophobicContact CB-CE2 3.88Å; V161-F163 HydrophobicContact CB-CZ 3.84Å; V161-F163 HydrophobicContact CG1-CD1 4.3Å; V161-F163 HydrophobicContact CG1-CD2 4.33Å; V161-F163 HydrophobicContact CG1-CE1 3.67Å; V161-F163 HydrophobicContact CG1-CE2 3.71Å; V161-F163 HydrophobicContact CG1-CZ 3.35Å
162F98.2Very high97.3Very high4 Ų436.8 Ų36.82%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-94.7126171.1-57.6-29.7000109.1A44 V45 V47 I85 F88 I97 A98 A160 F164A44-F162 CarbonylContact C-O 3.59Å; A44-F162 VanDerWaalsContact CA-O 3.26Å; A44-F162 WeakPolarHBondContact CA-O 3.37Å; V45-F162 HydrophobicContact CB-CB 4.3Å; V45-F162 PolarHBondContact N-O 3.22Å; V45-F162 PolarHBondContact O-N 2.97Å; V47-F162 HydrophobicContact CG2-CD2 3.89Å; V47-F162 HydrophobicContact CG2-CE1 4.37Å; V47-F162 HydrophobicContact CG2-CE2 3.44Å; V47-F162 VanDerWaalsContact CG2-CE2 3.44Å; V47-F162 HydrophobicContact CG2-CZ 3.72Å; I85-F162 HydrophobicContact CG1-CE1 4.25Å; I85-F162 HydrophobicContact CG1-CZ 4.16Å; I85-F162 HydrophobicContact CG2-CE1 3.72Å; I85-F162 HydrophobicContact CG2-CZ 4.25Å; F88-F162 HydrophobicContact CD1-CD2 4.18Å; F88-F162 AromaticContact CD1-CE2 3.51Å; F88-F162 HydrophobicContact CD1-CE2 3.51Å; F88-F162 AromaticContact CD1-CZ 3.76Å; F88-F162 HydrophobicContact CD1-CZ 3.76Å; F88-F162 AromaticContact CE1-CD2 3.6Å; F88-F162 HydrophobicContact CE1-CD2 3.6Å; F88-F162 AromaticContact CE1-CE2 3.3Å; F88-F162 HydrophobicContact CE1-CE2 3.3Å; F88-F162 HydrophobicContact CE1-CZ 4.04Å; F88-F162 HydrophobicContact CZ-CE2 4.26Å; I97-F162 WeakPolarHBondContact O-CA 3.33Å; A98-F162 HydrophobicContact CB-CD1 3.62Å; A98-F162 HydrophobicContact CB-CE1 3.74Å; A160-F162 HydrophobicContact CB-CD1 4.36Å; A160-F162 HydrophobicContact CB-CE1 3.87Å; F162-F164 HydrophobicContact CB-CE2 3.87Å; F162-F164 HydrophobicContact CB-CZ 4.39Å
163F98.2Very high97.2Very high2 Ų240.9 Ų40.91%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-106.5136.7172.7-57.4-82.2000109V23 L36 Y38 A44 C96 I97 I99 V112 V161 P165V23-F163 HydrophobicContact CG2-CD1 3.79Å; V23-F163 HydrophobicContact CG2-CE1 3.98Å; L36-F163 HydrophobicContact CD1-CE1 3.45Å; L36-F163 VanDerWaalsContact CD1-CE1 3.45Å; L36-F163 HydrophobicContact CD1-CZ 3.51Å; Y38-F163 HydrophobicContact CD2-CD1 4.2Å; Y38-F163 HydrophobicContact CD2-CG 4.44Å; Y38-F163 HydrophobicContact CE2-CB 4.25Å; Y38-F163 HydrophobicContact CE2-CD1 4.06Å; Y38-F163 HydrophobicContact CE2-CD2 4.26Å; Y38-F163 AromaticContact CE2-CG 3.91Å; Y38-F163 HydrophobicContact CE2-CG 3.91Å; A44-F163 HydrophobicContact CB-CD1 3.83Å; A44-F163 HydrophobicContact CB-CE1 3.8Å; C96-F163 WeakPolarHBondContact CA-O 3.28Å; I97-F163 HydrophobicContact CB-CB 4.41Å; I97-F163 PolarHBondContact N-O 2.91Å; I97-F163 PolarHBondContact O-N 3.34Å; I99-F163 HydrophobicContact CB-CE2 4.27Å; I99-F163 HydrophobicContact CD1-CD2 4.27Å; I99-F163 HydrophobicContact CD1-CE2 3.71Å; I99-F163 HydrophobicContact CG1-CD2 4.33Å; I99-F163 HydrophobicContact CG1-CE2 3.96Å; V112-F163 HydrophobicContact CG2-CE2 4.22Å; V112-F163 HydrophobicContact CG2-CZ 4.04Å; V161-F163 HydrophobicContact CB-CE2 3.88Å; V161-F163 HydrophobicContact CB-CZ 3.84Å; V161-F163 HydrophobicContact CG1-CD1 4.3Å; V161-F163 HydrophobicContact CG1-CD2 4.33Å; V161-F163 HydrophobicContact CG1-CE1 3.67Å; V161-F163 HydrophobicContact CG1-CE2 3.71Å; V161-F163 HydrophobicContact CG1-CZ 3.35Å; F163-P165 WeakPolarHBondContact O-CD 3.3Å
164F97.9Very high97.1Very high23 Ų2345.5 Ų45.510%0.10125%0.253CS..EExtended strand (participates in β ladder)trans-115.983.8176.2-65.3-92.5000108.8L43 V45 L92 C96 F162 D166 L167L43-F164 HydrophobicContact CB-CB 4.49Å; L43-F164 HydrophobicContact CD2-CD2 4.16Å; L43-F164 HydrophobicContact CG-CD2 4.44Å; L43-F164 PolarHBondContact O-N 3.04Å; V45-F164 HydrophobicContact CB-CE2 4.47Å; V45-F164 HydrophobicContact CG2-CD2 4.34Å; V45-F164 HydrophobicContact CG2-CE2 3.83Å; L92-F164 HydrophobicContact CD1-CE1 3.9Å; L92-F164 HydrophobicContact CD1-CZ 4.13Å; C96-F164 HydrophobicContact CB-CD1 4.22Å; C96-F164 HydrophobicContact CB-CE1 3.88Å; C96-F164 HydrophobicContact CB-CZ 4.36Å; F162-F164 HydrophobicContact CB-CE2 3.87Å; F162-F164 HydrophobicContact CB-CZ 4.39Å; F164-D166 PolarHBondContact O-N 3.21Å; F164-L167 HydrophobicContact CB-CB 3.83Å; F164-L167 HydrophobicContact CB-CD2 4.45Å; F164-L167 PolarHBondContact O-N 2.92Å
165P97Very high97Very high27 Ų2747.9 Ų47.918%0.17527%0.268CS..EExtended strand (participates in β ladder)trans-58.2-26.9-169.7-25.335.3000114.1Y38 K95 I97 F163 L167Y38-P165 HydrophobicContact CD1-CG 4.47Å; Y38-P165 HydrophobicContact CE1-CG 4.14Å; K95-P165 HydrophobicContact CD-CG 4.45Å; I97-P165 HydrophobicContact CD1-CG 3.73Å; I97-P165 HydrophobicContact CG1-CG 4.3Å; F163-P165 WeakPolarHBondContact O-CD 3.3Å; P165-L167 VanDerWaalsContact C-N 3.35Å
166D96.5Very high96.7Very high125 Ų12556.5 Ų56.567%0.66831%0.309SS*.EExtended strand (participates in β ladder)trans-92.13.1-177.5-50.2-36.7000112.6K95 F164K95-D166 WeakPolarHBondContact CB-OD2 3.41Å; F164-D166 PolarHBondContact O-N 3.21Å
167L96.7Very high96.5Very high82 Ų8257.1 Ų57.143%0.42931%0.314SS..EExtended strand (participates in β ladder)trans-118.295.9-178.6-175.460.5000110.9L43 F164 P165 V169L43-L167 HydrophobicContact CB-CD2 4.28Å; L43-L167 HydrophobicContact CB-CG 4.3Å; L43-L167 HydrophobicContact CD2-CD2 3.57Å; L43-L167 HydrophobicContact CD2-CG 4.43Å; L43-L167 PolarHBondContact N-O 3.35Å; F164-L167 HydrophobicContact CB-CB 3.83Å; F164-L167 HydrophobicContact CB-CD2 4.45Å; F164-L167 PolarHBondContact O-N 2.92Å; P165-L167 VanDerWaalsContact C-N 3.35Å; L167-V169 HydrophobicContact CG-CG1 4.27Å
168L97.9Very high96.3Very high93 Ų9361.3 Ų61.349%0.48733%0.329SS..EExtended strand (participates in β ladder)trans-85.4136172.8-55.5-179.6000110.6D39 D41 V42 P170D39-L168 HydrophobicContact CB-CD2 4Å; D41-L168 HydrophobicContact CB-CB 4.23Å; D41-L168 HydrophobicContact CB-CD2 4.25Å; D41-L168 CarbonylContact O-C 3.49Å; D41-L168 WeakPolarHBondContact O-CA 3.26Å; V42-L168 HydrophobicContact CG2-CD2 3.67Å; L168-P170 VanDerWaalsContact C-CD 3.48Å
169V97.4Very high96.1Very high31 Ų3165.8 Ų65.819%0.18835%0.346CS..  trans-130.957-177.6-67.90000111.7Q22 D41 L43 L167 C171 L172Q22-V169 HydrophobicContact CG-CG2 4Å; Q22-V169 PolarHBondContact NE2-O 2.94Å; D41-V169 WeakPolarHBondContact O-CG2 3.44Å; D41-V169 PolarHBondContact O-N 2.8Å; L43-V169 HydrophobicContact CB-CG1 4.21Å; L43-V169 HydrophobicContact CB-CG2 3.96Å; L43-V169 HydrophobicContact CD1-CG1 4.36Å; L43-V169 HydrophobicContact CD1-CG2 3.89Å; L167-V169 HydrophobicContact CG-CG1 4.27Å; V169-C171 PolarHBondContact O-N 2.82Å; V169-L172 HydrophobicContact CB-CB 4.06Å; V169-L172 HydrophobicContact CG2-CB 4Å; V169-L172 HydrophobicContact CG2-CD2 4.08Å; V169-L172 VanDerWaalsContact O-CB 3.24Å; V169-L172 WeakPolarHBondContact O-CB 3.5Å; V169-L172 PolarHBondContact O-N 2.87Å
170P96.8Very high96Very high80 Ų8068 Ų6852%0.51936%0.358SS..THydrogen-bonded Turntrans-59.8-25.8-174.725.4-35.6000113.4D41 L168 L172D41-P170 HydrophobicContact CB-CB 4.35Å; L168-P170 VanDerWaalsContact C-CD 3.48Å; P170-L172 VanDerWaalsContact C-N 3.35Å
171C96.4Very high96Very high121 Ų12168.2 Ų68.282%0.81836%0.359SS*.THydrogen-bonded Turntrans-87.92.7178-53.90000113.8V169 V173V169-C171 PolarHBondContact O-N 2.82Å; C171-V173 PolarHBondContact O-N 3.3Å
172L96.5Very high95.7Very high58 Ų5873.4 Ų73.430%0.30439%0.387SS..PPolyproline II helixtrans-64.9126.9176-171.368.6000109F20 Q22 W25 L43 V169 P170F20-L172 HydrophobicContact CB-CD2 4.33Å; Q22-L172 HydrophobicContact CG-CB 4.42Å; Q22-L172 HydrophobicContact CG-CD2 4.31Å; W25-L172 HydrophobicContact CH2-CB 4.2Å; W25-L172 HydrophobicContact CH2-CD2 3.7Å; W25-L172 HydrophobicContact CH2-CG 3.78Å; W25-L172 HydrophobicContact CZ2-CB 4.49Å; W25-L172 WeakPolarHBondContact CZ2-O 3.32Å; W25-L172 HydrophobicContact CZ3-CD2 4.13Å; L43-L172 HydrophobicContact CD1-CD2 4.26Å; V169-L172 HydrophobicContact CB-CB 4.06Å; V169-L172 HydrophobicContact CG2-CB 4Å; V169-L172 HydrophobicContact CG2-CD2 4.08Å; V169-L172 VanDerWaalsContact O-CB 3.24Å; V169-L172 WeakPolarHBondContact O-CB 3.5Å; V169-L172 PolarHBondContact O-N 2.87Å; P170-L172 VanDerWaalsContact C-N 3.35Å
173V95.9Very high95.6Very high124 Ų12475.6 Ų75.675%0.75240%0.401SS*.PPolyproline II helixtrans-84128.6178.7-179.70000109C171 P175C171-V173 PolarHBondContact O-N 3.3Å; V173-P175 WeakPolarHBondContact O-CD 3.43Å
174R95.5Very high95.6Very high98 Ų9877.5 Ų77.537%0.3741%0.411SS..PPolyproline II helixtrans-64.4120.4176.6-172.6171.3-179.91640.3110W25 E28W25-R174 HydrophobicContact CD2-CB 4.11Å; W25-R174 HydrophobicContact CD2-CG 3.9Å; W25-R174 HydrophobicContact CE3-CB 4.15Å; W25-R174 HydrophobicContact CE3-CG 3.8Å; W25-R174 HydrophobicContact CG-CG 4.48Å; W25-R174 HydrophobicContact CH2-CB 3.82Å; W25-R174 HydrophobicContact CH2-CG 4.36Å; W25-R174 HydrophobicContact CZ2-CB 3.76Å; W25-R174 HydrophobicContact CZ2-CG 4.45Å; W25-R174 HydrophobicContact CZ3-CB 4Å; W25-R174 HydrophobicContact CZ3-CG 4.03Å; E28-R174 IonicContact OE2-CZ 2.75Å; E28-R174 IonicContact OE2-NH1 3.49Å; E28-R174 PolarHBondContact OE2-NH1 3.28Å
175P94.5Very high95.6Very high52 Ų5282.9 Ų82.934%0.33844%0.437SS..PPolyproline II helixtrans-68.8145.717928.2-33.1000110.4S121 V173S121-P175 VanDerWaalsContact O-CG 3.27Å; S121-P175 WeakPolarHBondContact O-CG 3.35Å; V173-P175 WeakPolarHBondContact O-CD 3.43Å
176Q92.4Very high95.6Very high192 Ų19286 Ų8690%0.89745%0.447SS*.PPolyproline II helixtrans-81.8126.1169-173.8174.4-2.400108.9
177V92.1Very high95.7Very high27 Ų2780 Ų8016%0.16442%0.415CS..PPolyproline II helixtrans-79.5135.5176.171.60000110.5C125 R179C125-V177 HydrophobicContact CB-CG2 3.81Å; V177-R179 PolarHBondContact O-N 3.43Å
178E92.6Very high95.8Very high113 Ų11377.6 Ų77.653%0.52840%0.403SS..  trans-76.7113.7178.8-167.6176.8-171.400110.4C125 P150 L180C125-E178 WeakPolarHBondContact CB-O 3.42Å; P150-E178 HydrophobicContact CB-CB 4.5Å; P150-E178 VanDerWaalsContact CB-OE2 3.23Å; P150-E178 WeakPolarHBondContact CB-OE2 3.26Å; E178-L180 HydrophobicContact CG-CD2 3.85Å; E178-L180 HydrophobicContact CG-CG 4.03Å; E178-L180 WeakPolarHBondContact OE1-CD2 2.89Å
179R94.2Very high95.8Very high111 Ų11176.1 Ų76.142%0.41940%0.395SS..  trans-98.592.2-179.4-168.8177.8165.9108-16.1110.3Y127 D131 V177 L181Y127-R179 HydrophobicContact CE1-CG 3.71Å; D131-R179 IonicContact OD2-NH1 3.92Å; D131-R179 PolarHBondContact OD2-NH1 2.97Å; V177-R179 PolarHBondContact O-N 3.43Å; R179-L181 PolarHBondContact NE-O 3.43Å
180L94.5Very high95.8Very high61 Ų6174.7 Ų74.732%0.31939%0.387SS..  trans-80.5-18.6-175.6-65.5171.9000114.8Y127 P150 E178 Q207Y127-L180 PolarHBondContact OH-N 2.96Å; P150-L180 HydrophobicContact CB-CD1 4.21Å; E178-L180 HydrophobicContact CG-CD2 3.85Å; E178-L180 HydrophobicContact CG-CG 4.03Å; E178-L180 WeakPolarHBondContact OE1-CD2 2.89Å; L180-Q207 VanDerWaalsContact CD1-OE1 3.28Å
181L96.7Very high95.9Very high4 Ų470.9 Ų70.92%0.02136%0.362CS..  trans-96.5103.9170.1-48.8-175.5000108.7Y127 L148 R179 K186 I187 A190 V206Y127-L181 HydrophobicContact CD1-CB 4.35Å; Y127-L181 HydrophobicContact CD1-CD1 4.41Å; Y127-L181 HydrophobicContact CD2-CD1 4.42Å; Y127-L181 HydrophobicContact CE1-CB 3.64Å; Y127-L181 HydrophobicContact CE1-CD1 4.25Å; Y127-L181 HydrophobicContact CE1-CG 4.06Å; Y127-L181 HydrophobicContact CE2-CD1 4.29Å; Y127-L181 HydrophobicContact CE2-CG 4.28Å; Y127-L181 HydrophobicContact CG-CD1 4.47Å; Y127-L181 PolarHBondContact OH-N 2.89Å; L148-L181 HydrophobicContact CD1-CD1 3.7Å; L148-L181 HydrophobicContact CD1-CD2 4.42Å; L148-L181 HydrophobicContact CD1-CG 4.02Å; R179-L181 PolarHBondContact NE-O 3.43Å; L181-K186 HydrophobicContact CB-CB 4.12Å; L181-K186 HydrophobicContact CD2-CB 4.29Å; L181-I187 HydrophobicContact CB-CG1 3.83Å; L181-I187 HydrophobicContact CD1-CG1 4.36Å; L181-A190 HydrophobicContact CD1-CB 3.67Å; L181-V206 HydrophobicContact CD1-CG2 4.32Å; L181-V206 HydrophobicContact CD2-CG2 4.25Å
182D92.8Very high95.9Very high114 Ų11469 Ų6961%0.6134%0.341SS*.  trans-96.4-5.1-169.958.8-12.3000114.3K186D182-K186 VanDerWaalsContact OD1-CD 3.28Å; D182-K186 WeakPolarHBondContact OD1-CD 3.31Å; D182-K186 WeakPolarHBondContact OD1-CE 3.44Å; D182-K186 IonicContact OD1-NZ 3.66Å; D182-K186 PolarHBondContact OD1-NZ 3.41Å; D182-K186 IonicContact OD2-NZ 2.72Å
183T96Very high96Very high50 Ų5069.3 Ų69.331%0.30734%0.34SS..SBendtrans-131.4154.2176.685.50000112.5E185 K186 I187T183-E185 VanDerWaalsContact C-N 3.25Å; T183-E185 WeakPolarHBondContact CB-OE2 3.45Å; T183-E185 PolarHBondContact O-N 3.44Å; T183-E185 PolarHBondContact OG1-OE2 3.28Å; T183-K186 PolarHBondContact O-N 2.93Å; T183-K186 PolarHBondContact OG1-N 3.31Å; T183-I187 WeakPolarHBondContact O-CG1 3.19Å; T183-I187 PolarHBondContact O-N 3Å
184D97.4Very high96.1Very high42 Ų4266.9 Ų66.923%0.22532%0.318CS..Hα-helixtrans-58.4-38.6176.6-81.813000111.3L132 A133 K186 I187 I188L132-D184 HydrophobicContact CD2-CB 3.94Å; A133-D184 WeakPolarHBondContact CB-OD2 3.29Å; A133-D184 PolarHBondContact N-OD2 3.19Å; D184-K186 VanDerWaalsContact C-N 3.34Å; D184-K186 PolarHBondContact O-N 3.27Å; D184-I187 PolarHBondContact O-N 2.92Å; D184-I188 HydrophobicContact CB-CD1 4.46Å; D184-I188 WeakPolarHBondContact O-CB 3.08Å; D184-I188 WeakPolarHBondContact O-CD1 3.32Å; D184-I188 WeakPolarHBondContact O-CG1 3.25Å; D184-I188 PolarHBondContact O-N 3.06Å
185E97.5Very high96.2Very high135 Ų13564 Ų6463%0.63131%0.31SS*.Hα-helixtrans-61.2-42179.1-58.676.3-16500111.7T183 I188 D189T183-E185 VanDerWaalsContact C-N 3.25Å; T183-E185 WeakPolarHBondContact CB-OE2 3.45Å; T183-E185 PolarHBondContact O-N 3.44Å; T183-E185 PolarHBondContact OG1-OE2 3.28Å; E185-I188 PolarHBondContact O-N 2.77Å; E185-D189 WeakPolarHBondContact O-CB 3.25Å; E185-D189 PolarHBondContact O-N 3.47Å
186K97.6Very high96.4Very high92 Ų9266.2 Ų66.240%0.432%0.315SS..Hα-helixtrans-66.2-40177.3-70.8178.4-177.5173.10111.5L181 D182 T183 D184 A190L181-K186 HydrophobicContact CB-CB 4.12Å; L181-K186 HydrophobicContact CD2-CB 4.29Å; D182-K186 VanDerWaalsContact OD1-CD 3.28Å; D182-K186 WeakPolarHBondContact OD1-CD 3.31Å; D182-K186 WeakPolarHBondContact OD1-CE 3.44Å; D182-K186 IonicContact OD1-NZ 3.66Å; D182-K186 PolarHBondContact OD1-NZ 3.41Å; D182-K186 IonicContact OD2-NZ 2.72Å; T183-K186 PolarHBondContact O-N 2.93Å; T183-K186 PolarHBondContact OG1-N 3.31Å; D184-K186 VanDerWaalsContact C-N 3.34Å; D184-K186 PolarHBondContact O-N 3.27Å; K186-A190 WeakPolarHBondContact O-CB 3.38Å; K186-A190 PolarHBondContact O-N 3.43Å
187I98Very high96.5Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-68.1-43.4178.4-63163.8000110.3Y127 L132 L181 T183 D184 A190 L191Y127-I187 HydrophobicContact CD1-CD1 4.17Å; Y127-I187 HydrophobicContact CD1-CG1 3.85Å; Y127-I187 HydrophobicContact CD1-CG2 4.44Å; Y127-I187 HydrophobicContact CE1-CG1 4.26Å; L132-I187 HydrophobicContact CD2-CB 3.82Å; L132-I187 HydrophobicContact CD2-CD1 4.45Å; L132-I187 HydrophobicContact CD2-CG2 3.67Å; L132-I187 HydrophobicContact CG-CG2 4.43Å; L181-I187 HydrophobicContact CB-CG1 3.83Å; L181-I187 HydrophobicContact CD1-CG1 4.36Å; T183-I187 WeakPolarHBondContact O-CG1 3.19Å; T183-I187 PolarHBondContact O-N 3Å; D184-I187 PolarHBondContact O-N 2.92Å; I187-A190 PolarHBondContact O-N 2.96Å; I187-L191 HydrophobicContact CG2-CD1 3.82Å; I187-L191 HydrophobicContact CG2-CG 4.27Å; I187-L191 WeakPolarHBondContact O-CB 3.34Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.35Å; I187-L191 PolarHBondContact O-N 3.44Å
188I98.2Very high96.6Very high31 Ų3165.2 Ų65.216%0.15931%0.308CS..Hα-helixtrans-59.4-51175.7-70.9162.5000110L132 P136 W137 D184 E185 A190 L191 Q192L132-I188 HydrophobicContact CD1-CD1 4.26Å; L132-I188 HydrophobicContact CD1-CG1 3.61Å; L132-I188 HydrophobicContact CD2-CD1 4.37Å; L132-I188 HydrophobicContact CD2-CG1 3.87Å; L132-I188 HydrophobicContact CG-CG1 4.41Å; P136-I188 HydrophobicContact CG-CD1 3.88Å; P136-I188 HydrophobicContact CG-CG1 3.96Å; P136-I188 HydrophobicContact CG-CG2 4.05Å; W137-I188 HydrophobicContact CH2-CG1 4.38Å; W137-I188 HydrophobicContact CZ2-CG2 4.27Å; D184-I188 HydrophobicContact CB-CD1 4.46Å; D184-I188 WeakPolarHBondContact O-CB 3.08Å; D184-I188 WeakPolarHBondContact O-CD1 3.32Å; D184-I188 WeakPolarHBondContact O-CG1 3.25Å; D184-I188 PolarHBondContact O-N 3.06Å; E185-I188 PolarHBondContact O-N 2.77Å; I188-A190 VanDerWaalsContact C-N 3.34Å; I188-A190 PolarHBondContact O-N 3.2Å; I188-L191 PolarHBondContact O-N 3.21Å; I188-Q192 HydrophobicContact CG2-CG 4.2Å; I188-Q192 WeakPolarHBondContact O-CB 3.47Å; I188-Q192 VanDerWaalsContact O-CG 3.25Å; I188-Q192 WeakPolarHBondContact O-CG 3.41Å; I188-Q192 PolarHBondContact O-N 2.84Å
189D97.9Very high96.6Very high62 Ų6268 Ų6833%0.33232%0.319SS..Hα-helixtrans-57.4-45.9178171.873.7000111.7E185 Q192 K193E185-D189 WeakPolarHBondContact O-CB 3.25Å; E185-D189 PolarHBondContact O-N 3.47Å; D189-Q192 PolarHBondContact O-N 3Å; D189-K193 VanDerWaalsContact CG-NZ 3.29Å; D189-K193 WeakPolarHBondContact O-CB 3.31Å; D189-K193 WeakPolarHBondContact O-CG 3.38Å; D189-K193 PolarHBondContact O-N 3.19Å; D189-K193 WeakPolarHBondContact OD1-CE 3.47Å; D189-K193 IonicContact OD1-NZ 3.42Å; D189-K193 PolarHBondContact OD1-NZ 3.32Å; D189-K193 VanDerWaalsContact OD1-NZ 3.14Å; D189-K193 VanDerWaalsContact OD2-CE 3.31Å; D189-K193 WeakPolarHBondContact OD2-CE 3.4Å; D189-K193 IonicContact OD2-NZ 3.5Å; D189-K193 PolarHBondContact OD2-NZ 2.65Å
190A98.2Very high96.7Very high1 Ų167.2 Ų67.21%0.00833%0.326CS..Hα-helixtrans-63.4-45.8178.500000112.6L146 L181 K186 I187 I188 K193 Y194 V206L146-A190 HydrophobicContact CD2-CB 3.9Å; L181-A190 HydrophobicContact CD1-CB 3.67Å; K186-A190 WeakPolarHBondContact O-CB 3.38Å; K186-A190 PolarHBondContact O-N 3.43Å; I187-A190 PolarHBondContact O-N 2.96Å; I188-A190 VanDerWaalsContact C-N 3.34Å; I188-A190 PolarHBondContact O-N 3.2Å; A190-K193 PolarHBondContact O-N 2.9Å; A190-Y194 WeakPolarHBondContact O-CB 3.45Å; A190-Y194 PolarHBondContact O-N 3.19Å; A190-V206 HydrophobicContact CB-CB 4.19Å; A190-V206 HydrophobicContact CB-CG1 3.9Å; A190-V206 HydrophobicContact CB-CG2 3.97Å
191L98.3Very high96.7Very high1 Ų165.3 Ų65.31%0.00532%0.319CS..Hα-helixtrans-66.4-36.9176.8-71.7177.2000112W137 I143 L146 I187 I188 Y194 N195W137-L191 HydrophobicContact CH2-CB 3.65Å; W137-L191 HydrophobicContact CH2-CD1 3.71Å; W137-L191 HydrophobicContact CH2-CG 4.33Å; W137-L191 HydrophobicContact CZ2-CB 3.97Å; W137-L191 HydrophobicContact CZ3-CD1 4.14Å; I143-L191 HydrophobicContact CG2-CB 4.33Å; I143-L191 HydrophobicContact CG2-CD1 4.44Å; L146-L191 HydrophobicContact CB-CD2 3.8Å; I187-L191 HydrophobicContact CG2-CD1 3.82Å; I187-L191 HydrophobicContact CG2-CG 4.27Å; I187-L191 WeakPolarHBondContact O-CB 3.34Å; I187-L191 VanDerWaalsContact O-CG 3.29Å; I187-L191 WeakPolarHBondContact O-CG 3.35Å; I187-L191 PolarHBondContact O-N 3.44Å; I188-L191 PolarHBondContact O-N 3.21Å; L191-Y194 PolarHBondContact O-N 3.31Å; L191-N195 VanDerWaalsContact O-CB 3.32Å; L191-N195 WeakPolarHBondContact O-CB 3.38Å; L191-N195 PolarHBondContact O-N 3.01Å; L191-N195 PolarHBondContact O-ND2 3.46Å
192Q97.7Very high96.7Very high82 Ų8267 Ų6738%0.38333%0.334SS..Hα-helixtrans-63.9-49.4174.4-76.1-177.5-7.400111.1W137 I188 D189 Y194 N195 F196W137-Q192 HydrophobicContact CZ2-CG 3.86Å; I188-Q192 HydrophobicContact CG2-CG 4.2Å; I188-Q192 WeakPolarHBondContact O-CB 3.47Å; I188-Q192 VanDerWaalsContact O-CG 3.25Å; I188-Q192 WeakPolarHBondContact O-CG 3.41Å; I188-Q192 PolarHBondContact O-N 2.84Å; D189-Q192 PolarHBondContact O-N 3Å; Q192-Y194 VanDerWaalsContact C-N 3.27Å; Q192-Y194 PolarHBondContact O-N 3.35Å; Q192-N195 PolarHBondContact O-N 3.39Å; Q192-F196 HydrophobicContact CB-CD2 4.09Å; Q192-F196 HydrophobicContact CB-CE2 4.45Å; Q192-F196 HydrophobicContact CG-CD2 4.26Å; Q192-F196 HydrophobicContact CG-CE2 4.17Å; Q192-F196 WeakPolarHBondContact O-CB 3.28Å; Q192-F196 WeakPolarHBondContact O-CD2 3.2Å; Q192-F196 PolarHBondContact O-N 3.29Å
193K98.2Very high97Very high64 Ų6462.4 Ų62.428%0.27831%0.308SS..Hα-helixtrans-58-41.6176.4-73.7169.2177.1162.50111.3D189 A190 S197 W198 A202 V206D189-K193 VanDerWaalsContact CG-NZ 3.29Å; D189-K193 WeakPolarHBondContact O-CB 3.31Å; D189-K193 WeakPolarHBondContact O-CG 3.38Å; D189-K193 PolarHBondContact O-N 3.19Å; D189-K193 WeakPolarHBondContact OD1-CE 3.47Å; D189-K193 IonicContact OD1-NZ 3.42Å; D189-K193 PolarHBondContact OD1-NZ 3.32Å; D189-K193 VanDerWaalsContact OD1-NZ 3.14Å; D189-K193 VanDerWaalsContact OD2-CE 3.31Å; D189-K193 WeakPolarHBondContact OD2-CE 3.4Å; D189-K193 IonicContact OD2-NZ 3.5Å; D189-K193 PolarHBondContact OD2-NZ 2.65Å; A190-K193 PolarHBondContact O-N 2.9Å; K193-S197 CarbonylContact O-C 3.57Å; K193-S197 VanDerWaalsContact O-CA 3.32Å; K193-S197 WeakPolarHBondContact O-CA 3.24Å; K193-S197 PolarHBondContact O-N 3.41Å; K193-W198 PolarHBondContact O-N 3.18Å; K193-A202 HydrophobicContact CD-CB 4.38Å; K193-V206 HydrophobicContact CD-CG1 4.03Å
194Y98Very high97Very high72 Ų7262.1 Ų62.128%0.28230%0.301SS..Hα-helixtrans-68.6-45.3178-178.3-117.4000112.7A144 G145 L146 A190 L191 Q192 W198 Y203A144-Y194 HydrophobicContact CB-CE1 3.99Å; G145-Y194 WeakPolarHBondContact O-CE1 3.47Å; L146-Y194 HydrophobicContact CB-CD1 4.09Å; L146-Y194 HydrophobicContact CB-CG 4.22Å; L146-Y194 HydrophobicContact CD1-CD1 4.43Å; L146-Y194 HydrophobicContact CD1-CD2 3.82Å; L146-Y194 HydrophobicContact CD1-CE2 4.22Å; L146-Y194 HydrophobicContact CD1-CG 3.93Å; L146-Y194 HydrophobicContact CG-CG 4.49Å; A190-Y194 WeakPolarHBondContact O-CB 3.45Å; A190-Y194 PolarHBondContact O-N 3.19Å; L191-Y194 PolarHBondContact O-N 3.31Å; Q192-Y194 VanDerWaalsContact C-N 3.27Å; Q192-Y194 PolarHBondContact O-N 3.35Å; Y194-W198 VanDerWaalsContact O-CB 3.31Å; Y194-W198 WeakPolarHBondContact O-CB 3.31Å; Y194-Y203 HydrophobicContact CD2-CD1 4.09Å; Y194-Y203 AromaticContact CD2-CD2 3.67Å; Y194-Y203 HydrophobicContact CD2-CD2 3.67Å; Y194-Y203 AromaticContact CD2-CE1 3.95Å; Y194-Y203 HydrophobicContact CD2-CE1 3.95Å; Y194-Y203 AromaticContact CD2-CE2 3.52Å; Y194-Y203 HydrophobicContact CD2-CE2 3.52Å; Y194-Y203 AromaticContact CD2-CG 3.93Å; Y194-Y203 HydrophobicContact CD2-CG 3.93Å; Y194-Y203 AromaticContact CD2-CZ 3.64Å; Y194-Y203 HydrophobicContact CE2-CD2 4.49Å; Y194-Y203 HydrophobicContact CE2-CE1 4.49Å; Y194-Y203 AromaticContact CE2-CE2 3.92Å; Y194-Y203 HydrophobicContact CE2-CE2 3.92Å; Y194-Y203 AromaticContact CE2-CZ 3.9Å; Y194-Y203 HydrophobicContact CG-CD2 4.37Å; Y194-Y203 HydrophobicContact CG-CG 4.5Å
195N97.9Very high97.1Very high38 Ų3862.7 Ų62.720%0.20331%0.305CS..Hα-helixtrans-81.5-30-173.3-77-89000113.6A144 L191 Q192A144-N195 WeakPolarHBondContact CB-OD1 3.39Å; A144-N195 PolarHBondContact N-OD1 3.21Å; A144-N195 PolarHBondContact O-ND2 3.44Å; L191-N195 VanDerWaalsContact O-CB 3.32Å; L191-N195 WeakPolarHBondContact O-CB 3.38Å; L191-N195 PolarHBondContact O-N 3.01Å; L191-N195 PolarHBondContact O-ND2 3.46Å; Q192-N195 PolarHBondContact O-N 3.39Å
196F97.2Very high97.1Very high99 Ų9957.8 Ų57.843%0.43428%0.283SS..Hα-helixtrans-115.5-17-171.3-50.5-54000114W137 I143 Q192W137-F196 AromaticContact NE1-CE2 3.71Å; I143-F196 HydrophobicContact CD1-CE2 4.37Å; I143-F196 HydrophobicContact CD1-CZ 3.66Å; Q192-F196 HydrophobicContact CB-CD2 4.09Å; Q192-F196 HydrophobicContact CB-CE2 4.45Å; Q192-F196 HydrophobicContact CG-CD2 4.26Å; Q192-F196 HydrophobicContact CG-CE2 4.17Å; Q192-F196 WeakPolarHBondContact O-CB 3.28Å; Q192-F196 WeakPolarHBondContact O-CD2 3.2Å; Q192-F196 PolarHBondContact O-N 3.29Å
197S96.4Very high97Very high56 Ų5654 Ų5439%0.39227%0.268SS..Hα-helixtrans-138.823-174-53.90000113.5K193 K199 T200K193-S197 CarbonylContact O-C 3.57Å; K193-S197 VanDerWaalsContact O-CA 3.32Å; K193-S197 WeakPolarHBondContact O-CA 3.24Å; K193-S197 PolarHBondContact O-N 3.41Å; S197-K199 PolarHBondContact O-N 2.75Å; S197-T200 PolarHBondContact O-N 3.13Å; S197-T200 PolarHBondContact O-OG1 3Å
198W93.6Very high96.9Very high142 Ų14259.8 Ų59.854%0.53831%0.305SS..G310 helixtrans-54.3-28.2-173.860.1-92.2000114.6K193 Y194 T200 A201 Y203K193-W198 PolarHBondContact O-N 3.18Å; Y194-W198 VanDerWaalsContact O-CB 3.31Å; Y194-W198 WeakPolarHBondContact O-CB 3.31Å; W198-T200 PolarHBondContact O-N 2.72Å; W198-A201 PolarHBondContact O-N 2.75Å; W198-Y203 HydrophobicContact CB-CD1 4.24Å; W198-Y203 HydrophobicContact CB-CE1 3.9Å
199K93.3Very high96.8Very high171 Ų17159.4 Ų59.474%0.74330%0.304SS*.G310 helixtrans-62.6-24.8178.3-69-174.4178.2-177.60113.4S197 A201S197-K199 PolarHBondContact O-N 2.75Å; K199-A201 PolarHBondContact O-N 2.81Å
200T94.6Very high96.7Very high94 Ų9460.7 Ų60.758%0.57732%0.318SS*.G310 helixtrans-76.5-11.317570.60000112.4S197 W198 A202S197-T200 PolarHBondContact O-N 3.13Å; S197-T200 PolarHBondContact O-OG1 3Å; W198-T200 PolarHBondContact O-N 2.72Å; T200-A202 PolarHBondContact O-N 3.27Å; T200-A202 WeakPolarHBondContact OG1-CB 3.4Å; T200-A202 PolarHBondContact OG1-N 3.48Å
201A95.4Very high96.7Very high21 Ų2163.3 Ų63.317%0.17433%0.33CS..  trans58.52.8-171.700000115.5W155 W198 K199 Y203 R204W155-A201 HydrophobicContact CH2-CB 3.84Å; W155-A201 HydrophobicContact CZ2-CB 4.19Å; W198-A201 PolarHBondContact O-N 2.75Å; K199-A201 PolarHBondContact O-N 2.81Å; A201-Y203 PolarHBondContact O-N 3.06Å; A201-Y203 VanDerWaalsContact O-N 3.1Å; A201-R204 VanDerWaalsContact O-CB 3.28Å; A201-R204 WeakPolarHBondContact O-CB 3.46Å; A201-R204 WeakPolarHBondContact O-CG 3.48Å; A201-R204 PolarHBondContact O-N 2.88Å
202A97Very high96.6Very high40 Ų4069 Ų6933%0.33135%0.351SS..G310 helixtrans-60.6-26.9-175.200000113.8K193 T200 R204 D205K193-A202 HydrophobicContact CD-CB 4.38Å; T200-A202 PolarHBondContact O-N 3.27Å; T200-A202 WeakPolarHBondContact OG1-CB 3.4Å; T200-A202 PolarHBondContact OG1-N 3.48Å; A202-R204 PolarHBondContact O-N 3.34Å; A202-D205 PolarHBondContact O-N 3Å
203Y97.9Very high96.6Very high18 Ų1865.6 Ų65.67%0.07134%0.335CS..G310 helixtrans-62.6-21.8174.877.6-91.2000113L146 Y194 W198 A201 D205 V206L146-Y203 HydrophobicContact CD1-CD2 3.43Å; L146-Y203 VanDerWaalsContact CD1-CD2 3.43Å; L146-Y203 HydrophobicContact CD1-CE2 3.64Å; L146-Y203 HydrophobicContact CD2-CD2 4.13Å; L146-Y203 HydrophobicContact CG-CD2 4.44Å; Y194-Y203 HydrophobicContact CD2-CD1 4.09Å; Y194-Y203 AromaticContact CD2-CD2 3.67Å; Y194-Y203 HydrophobicContact CD2-CD2 3.67Å; Y194-Y203 AromaticContact CD2-CE1 3.95Å; Y194-Y203 HydrophobicContact CD2-CE1 3.95Å; Y194-Y203 AromaticContact CD2-CE2 3.52Å; Y194-Y203 HydrophobicContact CD2-CE2 3.52Å; Y194-Y203 AromaticContact CD2-CG 3.93Å; Y194-Y203 HydrophobicContact CD2-CG 3.93Å; Y194-Y203 AromaticContact CD2-CZ 3.64Å; Y194-Y203 HydrophobicContact CE2-CD2 4.49Å; Y194-Y203 HydrophobicContact CE2-CE1 4.49Å; Y194-Y203 AromaticContact CE2-CE2 3.92Å; Y194-Y203 HydrophobicContact CE2-CE2 3.92Å; Y194-Y203 AromaticContact CE2-CZ 3.9Å; Y194-Y203 HydrophobicContact CG-CD2 4.37Å; Y194-Y203 HydrophobicContact CG-CG 4.5Å; W198-Y203 HydrophobicContact CB-CD1 4.24Å; W198-Y203 HydrophobicContact CB-CE1 3.9Å; A201-Y203 PolarHBondContact O-N 3.06Å; A201-Y203 VanDerWaalsContact O-N 3.1Å; Y203-D205 PolarHBondContact O-N 3.41Å; Y203-V206 WeakPolarHBondContact O-CG2 3.4Å
204R97.9Very high96.5Very high44 Ų4465.2 Ų65.217%0.16634%0.336CS..G310 helixtrans-75.2-15.9-179.7-56.3-174.8-172.6-92.83112.6G154 W155 A201 A202G154-R204 PolarHBondContact N-O 2.96Å; G154-R204 PolarHBondContact O-NH1 2.95Å; W155-R204 HydrophobicContact CD2-CB 3.97Å; W155-R204 HydrophobicContact CD2-CG 4.4Å; W155-R204 VanDerWaalsContact CE3-CD 3.48Å; W155-R204 HydrophobicContact CG-CB 4.03Å; W155-R204 HydrophobicContact CZ2-CB 4.21Å; A201-R204 VanDerWaalsContact O-CB 3.28Å; A201-R204 WeakPolarHBondContact O-CB 3.46Å; A201-R204 WeakPolarHBondContact O-CG 3.48Å; A201-R204 PolarHBondContact O-N 2.88Å; A202-R204 PolarHBondContact O-N 3.34Å
205D97.8Very high96.4Very high54 Ų5467.3 Ų67.329%0.28935%0.352SS..G310 helixtrans-118.122.4-173.7-70.3-67.6000112.9W155 A202 Y203 Q207 V209 R212W155-D205 WeakPolarHBondContact CZ2-OD2 3.35Å; W155-D205 VanDerWaalsContact NE1-CG 3.34Å; W155-D205 PolarHBondContact NE1-OD1 3.06Å; W155-D205 PolarHBondContact NE1-OD2 3.43Å; A202-D205 PolarHBondContact O-N 3Å; Y203-D205 PolarHBondContact O-N 3.41Å; D205-Q207 CarbonylContact C-O 3.53Å; D205-Q207 PolarHBondContact O-N 2.86Å; D205-Q207 VanDerWaalsContact O-N 3.13Å; D205-V209 WeakPolarHBondContact OD1-CG2 3.3Å; D205-R212 IonicContact OD1-CZ 3.1Å; D205-R212 IonicContact OD1-NE 3.51Å; D205-R212 PolarHBondContact OD1-NE 3.33Å; D205-R212 IonicContact OD1-NH2 2.91Å; D205-R212 PolarHBondContact OD1-NH2 3.41Å; D205-R212 IonicContact OD2-NE 3.16Å
206V97.4Very high96.2Very high31 Ų3169.3 Ų69.319%0.18836%0.357CS..SBendtrans-69.1-5.6176.6-63.10000113.4L148 L181 A190 K193 Y203L148-V206 HydrophobicContact CD1-CG2 3.41Å; L148-V206 VanDerWaalsContact CD1-CG2 3.41Å; L148-V206 HydrophobicContact CD2-CG2 3.99Å; L148-V206 HydrophobicContact CG-CG2 4.36Å; L181-V206 HydrophobicContact CD1-CG2 4.32Å; L181-V206 HydrophobicContact CD2-CG2 4.25Å; A190-V206 HydrophobicContact CB-CB 4.19Å; A190-V206 HydrophobicContact CB-CG1 3.9Å; A190-V206 HydrophobicContact CB-CG2 3.97Å; K193-V206 HydrophobicContact CD-CG1 4.03Å; Y203-V206 WeakPolarHBondContact O-CG2 3.4Å
207Q95.7Very high96.2Very high14 Ų1464.7 Ų64.77%0.06534%0.336CS..SBendtrans-138.6162171.862.4178.56000108.7H149 P150 L180 D205H149-Q207 PolarHBondContact O-NE2 3.26Å; P150-Q207 PolarHBondContact O-NE2 3.15Å; L180-Q207 VanDerWaalsContact CD1-OE1 3.28Å; D205-Q207 CarbonylContact C-O 3.53Å; D205-Q207 PolarHBondContact O-N 2.86Å; D205-Q207 VanDerWaalsContact O-N 3.13Å
208P96Very high96.1Very high121 Ų12167.5 Ų67.579%0.78634%0.338SS*.  trans-56.9140.1169.6-23.734.9000111.7
209V97.2Very high96.3Very high22 Ų2265 Ų6513%0.13333%0.333CS..  trans-131142.5178.7-54.60000110.2N151 Y152 D205 R212N151-V209 CarbonylContact O-C 3.03Å; N151-V209 WeakPolarHBondContact O-CA 3.35Å; Y152-V209 WeakPolarHBondContact O-CG1 3.36Å; D205-V209 WeakPolarHBondContact OD1-CG2 3.3Å; V209-R212 HydrophobicContact CG2-CG 3.8Å; V209-R212 VanDerWaalsContact CG2-CZ 3.46Å
210S96.1Very high96.4Very high90 Ų9056.9 Ų56.963%0.62930%0.297SS*.SBendtrans-78.5-27.6178.763.90000112.7N151N151-S210 PolarHBondContact O-N 3.19Å; N151-S210 PolarHBondContact O-OG 2.9Å; N151-S210 VanDerWaalsContact O-OG 3.07Å
211E96.5Very high96.4Very high55 Ų5555 Ų5526%0.25728%0.281SS..  trans-151.9147-176.6-166.4169.8-163.800111.1P51 K52 Y152P51-E211 HydrophobicContact CB-CG 3.89Å; P51-E211 HydrophobicContact CG-CB 4.19Å; P51-E211 HydrophobicContact CG-CG 3.94Å; K52-E211 WeakPolarHBondContact CE-OE1 3.42Å; K52-E211 WeakPolarHBondContact CE-OE2 3.43Å; K52-E211 WeakPolarHBondContact CG-OE1 3.32Å; Y152-E211 HydrophobicContact CD1-CB 4Å; Y152-E211 HydrophobicContact CE1-CB 3.91Å
212R97.5Very high96.4Very high120 Ų12058.3 Ų58.345%0.45330%0.303SS..  trans-123.8165.7177-60.2-174.117474.65.8109.7P51 W155 D205 V209 D214P51-R212 WeakPolarHBondContact CB-O 3.37Å; W155-R212 HydrophobicContact CD2-CB 4Å; W155-R212 HydrophobicContact CD2-CG 4.25Å; W155-R212 HydrophobicContact CG-CB 4.16Å; W155-R212 HydrophobicContact CG-CG 4.17Å; W155-R212 HydrophobicContact CZ2-CB 4.5Å; D205-R212 IonicContact OD1-CZ 3.1Å; D205-R212 IonicContact OD1-NE 3.51Å; D205-R212 PolarHBondContact OD1-NE 3.33Å; D205-R212 IonicContact OD1-NH2 2.91Å; D205-R212 PolarHBondContact OD1-NH2 3.41Å; D205-R212 IonicContact OD2-NE 3.16Å; V209-R212 HydrophobicContact CG2-CG 3.8Å; V209-R212 VanDerWaalsContact CG2-CZ 3.46Å; R212-D214 PolarHBondContact O-N 2.96Å
213Y97.2Very high96.3Very high11 Ų1157.5 Ų57.54%0.04329%0.294CS..  trans-60.3136.7168.3-67.2-2.7000110.1P51 W155 F156 Q217 F221P51-Y213 HydrophobicContact CB-CD1 3.85Å; P51-Y213 HydrophobicContact CB-CE1 4.37Å; P51-Y213 HydrophobicContact CG-CD1 3.95Å; P51-Y213 HydrophobicContact CG-CE1 4.2Å; W155-Y213 VanDerWaalsContact C-CE1 3.46Å; W155-Y213 HydrophobicContact CB-CD1 4.22Å; W155-Y213 HydrophobicContact CB-CE1 4.26Å; W155-Y213 AromaticContact CE3-CD1 3.85Å; W155-Y213 HydrophobicContact CE3-CD1 3.85Å; W155-Y213 AromaticContact CE3-CD2 3.6Å; W155-Y213 HydrophobicContact CE3-CD2 3.6Å; W155-Y213 HydrophobicContact CE3-CE1 4.46Å; W155-Y213 HydrophobicContact CE3-CE2 4.24Å; W155-Y213 AromaticContact CE3-CG 3.38Å; W155-Y213 HydrophobicContact CE3-CG 3.38Å; W155-Y213 AromaticContact CZ3-CD2 3.79Å; W155-Y213 HydrophobicContact CZ3-CD2 3.79Å; W155-Y213 AromaticContact CZ3-CG 3.8Å; W155-Y213 HydrophobicContact CZ3-CG 3.8Å; W155-Y213 VanDerWaalsContact O-CE1 3.24Å; W155-Y213 WeakPolarHBondContact O-CE1 3.23Å; F156-Y213 VanDerWaalsContact C-OH 3.32Å; F156-Y213 PolarHBondContact O-OH 3.03Å; Y213-Q217 HydrophobicContact CD1-CG 4.22Å; Y213-Q217 VanDerWaalsContact CD1-OE1 3.26Å; Y213-Q217 HydrophobicContact CD2-CG 3.7Å; Y213-Q217 HydrophobicContact CE2-CG 4.34Å; Y213-Q217 HydrophobicContact CG-CB 4.39Å; Y213-Q217 HydrophobicContact CG-CG 3.63Å; Y213-F221 AromaticContact CD2-CD2 3.85Å; Y213-F221 HydrophobicContact CD2-CD2 3.85Å; Y213-F221 HydrophobicContact CD2-CE2 4.23Å; Y213-F221 AromaticContact CE2-CD2 3.66Å; Y213-F221 HydrophobicContact CE2-CD2 3.66Å; Y213-F221 AromaticContact CE2-CE2 3.8Å; Y213-F221 HydrophobicContact CE2-CE2 3.8Å
214D95.8Very high96.1Very high57 Ų5760 Ų6031%0.30531%0.313SS..  trans-68172173.469.930.8000111.6T55 R212 R216 Q217 R218T55-D214 PolarHBondContact OG1-OD2 2.72Å; R212-D214 PolarHBondContact O-N 2.96Å; D214-R216 VanDerWaalsContact C-N 3.34Å; D214-R216 PolarHBondContact O-N 3.21Å; D214-R216 PolarHBondContact OD1-N 2.99Å; D214-Q217 PolarHBondContact O-N 3.35Å; D214-Q217 VanDerWaalsContact OD1-CB 3.3Å; D214-Q217 WeakPolarHBondContact OD1-CB 3.44Å; D214-Q217 PolarHBondContact OD1-N 2.91Å; D214-R218 WeakPolarHBondContact O-CG 3.38Å; D214-R218 PolarHBondContact O-N 2.94Å
215D95.6Very high95.8Very high115 Ų11562.4 Ų62.462%0.61533%0.334SS*.Hα-helixtrans-59-43.5-175.5-68.2-18.1000112.5R218 E219D215-R218 PolarHBondContact O-N 3.28Å; D215-R218 IonicContact OD1-CZ 3.94Å; D215-R218 IonicContact OD1-NE 2.65Å; D215-R218 IonicContact OD1-NH2 3.13Å; D215-R218 PolarHBondContact OD1-NH2 2.92Å; D215-E219 WeakPolarHBondContact O-CB 3.11Å; D215-E219 PolarHBondContact O-N 3.43Å
216R94.3Very high95.5Very high81 Ų8164.8 Ų64.831%0.30636%0.355SS..Hα-helixtrans-64.6-45.4177.5-77-173.1173.8-174.7-3.2110.8F54 D214 R218 E219 Y220 W235 D239F54-R216 HydrophobicContact CE1-CB 4.21Å; D214-R216 VanDerWaalsContact C-N 3.34Å; D214-R216 PolarHBondContact O-N 3.21Å; D214-R216 PolarHBondContact OD1-N 2.99Å; R216-R218 VanDerWaalsContact C-N 3.31Å; R216-R218 PolarHBondContact O-N 2.93Å; R216-E219 PolarHBondContact O-N 3.43Å; R216-Y220 WeakPolarHBondContact O-CB 3.42Å; R216-Y220 PolarHBondContact O-N 3.19Å; R216-W235 HydrophobicContact CB-CH2 4Å; R216-W235 HydrophobicContact CB-CZ2 4.28Å; R216-W235 HydrophobicContact CB-CZ3 4.34Å; R216-W235 HydrophobicContact CG-CH2 4.43Å; R216-W235 HydrophobicContact CG-CZ2 4.28Å; R216-W235 WeakPolarHBondContact O-CH2 3.41Å; R216-D239 IonicContact CZ-OD1 3.89Å; R216-D239 IonicContact NH1-OD1 2.72Å; R216-D239 PolarHBondContact NH1-OD1 3.44Å; R216-D239 VanDerWaalsContact NH1-OD1 3.1Å; R216-D239 IonicContact NH1-OD2 2.65Å; R216-D239 IonicContact NH2-OD1 2.63Å; R216-D239 PolarHBondContact NH2-OD1 2.63Å
217Q96.6Very high95.3Very high1 Ų168.6 Ų68.61%0.00537%0.372CS..Hα-helixtrans-62.9-38.9178.6-175.2177.313.400111.6P51 F54 Y213 D214 Y220 F221P51-Q217 PolarHBondContact O-OE1 2.84Å; F54-Q217 HydrophobicContact CB-CB 3.96Å; F54-Q217 HydrophobicContact CB-CG 3.69Å; F54-Q217 HydrophobicContact CD1-CB 3.74Å; F54-Q217 HydrophobicContact CD1-CG 4.25Å; F54-Q217 HydrophobicContact CD2-CB 4.1Å; F54-Q217 HydrophobicContact CD2-CG 3.75Å; F54-Q217 HydrophobicContact CE1-CB 4.24Å; F54-Q217 HydrophobicContact CE2-CG 4.42Å; F54-Q217 HydrophobicContact CG-CB 3.66Å; F54-Q217 HydrophobicContact CG-CG 3.63Å; Y213-Q217 HydrophobicContact CD1-CG 4.22Å; Y213-Q217 VanDerWaalsContact CD1-OE1 3.26Å; Y213-Q217 HydrophobicContact CD2-CG 3.7Å; Y213-Q217 HydrophobicContact CE2-CG 4.34Å; Y213-Q217 HydrophobicContact CG-CB 4.39Å; Y213-Q217 HydrophobicContact CG-CG 3.63Å; D214-Q217 PolarHBondContact O-N 3.35Å; D214-Q217 VanDerWaalsContact OD1-CB 3.3Å; D214-Q217 WeakPolarHBondContact OD1-CB 3.44Å; D214-Q217 PolarHBondContact OD1-N 2.91Å; Q217-Y220 PolarHBondContact O-N 3.31Å; Q217-F221 HydrophobicContact CG-CD2 3.78Å; Q217-F221 HydrophobicContact CG-CE2 3.6Å; Q217-F221 WeakPolarHBondContact O-CD2 3.45Å; Q217-F221 PolarHBondContact O-N 2.92Å; Q217-F221 VanDerWaalsContact O-N 3.1Å
218R95.9Very high95.2Very high115 Ų11569.7 Ų69.743%0.43438%0.376SS..Hα-helixtrans-65.4-44.5174.1-70.7-169.6-66.2178.6-1.1111.9W155 D214 D215 R216 Y220 F221 S222W155-R218 HydrophobicContact CH2-CG 4.17Å; W155-R218 HydrophobicContact CZ3-CG 3.91Å; D214-R218 WeakPolarHBondContact O-CG 3.38Å; D214-R218 PolarHBondContact O-N 2.94Å; D215-R218 PolarHBondContact O-N 3.28Å; D215-R218 IonicContact OD1-CZ 3.94Å; D215-R218 IonicContact OD1-NE 2.65Å; D215-R218 IonicContact OD1-NH2 3.13Å; D215-R218 PolarHBondContact OD1-NH2 2.92Å; R216-R218 VanDerWaalsContact C-N 3.31Å; R216-R218 PolarHBondContact O-N 2.93Å; R218-Y220 VanDerWaalsContact C-N 3.34Å; R218-Y220 PolarHBondContact O-N 3.41Å; R218-F221 PolarHBondContact O-N 3.39Å; R218-S222 VanDerWaalsContact O-CB 3.28Å; R218-S222 WeakPolarHBondContact O-CB 3.48Å; R218-S222 PolarHBondContact O-N 3.14Å; R218-S222 PolarHBondContact O-OG 3Å
219E96.3Very high95Very high89 Ų8968.6 Ų68.642%0.41636%0.356SS..Hα-helixtrans-60.1-44.8175.4-172.9175.4-172.300111D215 R216 F221 S222 T223 L231 W235D215-E219 WeakPolarHBondContact O-CB 3.11Å; D215-E219 PolarHBondContact O-N 3.43Å; R216-E219 PolarHBondContact O-N 3.43Å; E219-F221 PolarHBondContact O-N 3.5Å; E219-S222 WeakPolarHBondContact CA-OG 3.33Å; E219-S222 PolarHBondContact O-N 3.1Å; E219-S222 PolarHBondContact O-OG 2.89Å; E219-T223 VanDerWaalsContact O-CB 3.29Å; E219-T223 WeakPolarHBondContact O-CB 3.18Å; E219-T223 PolarHBondContact O-N 3.26Å; E219-T223 PolarHBondContact O-OG1 3.1Å; E219-L231 HydrophobicContact CG-CD1 4.25Å; E219-L231 HydrophobicContact CG-CD2 4.24Å; E219-L231 WeakPolarHBondContact OE1-CD1 3.16Å; E219-W235 HydrophobicContact CB-CH2 4.4Å; E219-W235 HydrophobicContact CB-CZ2 4.05Å; E219-W235 HydrophobicContact CG-CZ2 4.01Å; E219-W235 WeakPolarHBondContact OE2-CZ2 3.45Å
220Y96.5Very high94.8Very high1 Ų170.1 Ų70.10%0.00437%0.37CS..Hα-helixtrans-58.2-49.9177.8178.8-92000112.6F54 F58 I77 R216 Q217 R218 T223 R228 L232 W235F54-Y220 AromaticContact CE2-CD1 3.85Å; F54-Y220 HydrophobicContact CE2-CD1 3.85Å; F54-Y220 HydrophobicContact CE2-CD2 4.25Å; F54-Y220 AromaticContact CE2-CG 3.71Å; F54-Y220 HydrophobicContact CE2-CG 3.71Å; F54-Y220 HydrophobicContact CZ-CD2 4.3Å; F54-Y220 AromaticContact CZ-CG 3.95Å; F54-Y220 HydrophobicContact CZ-CG 3.95Å; F58-Y220 HydrophobicContact CE1-CE2 4.36Å; F58-Y220 HydrophobicContact CZ-CE2 4.26Å; I77-Y220 HydrophobicContact CD1-CE1 4.45Å; I77-Y220 HydrophobicContact CG1-CE1 3.61Å; I77-Y220 WeakPolarHBondContact CG1-OH 3.28Å; R216-Y220 WeakPolarHBondContact O-CB 3.42Å; R216-Y220 PolarHBondContact O-N 3.19Å; Q217-Y220 PolarHBondContact O-N 3.31Å; R218-Y220 VanDerWaalsContact C-N 3.34Å; R218-Y220 PolarHBondContact O-N 3.41Å; Y220-T223 PolarHBondContact O-N 3.36Å; Y220-R228 HydrophobicContact CD2-CG 4.48Å; Y220-R228 HydrophobicContact CE2-CB 4.24Å; Y220-R228 HydrophobicContact CE2-CG 4.16Å; Y220-R228 PolarHBondContact O-NE 2.75Å; Y220-L232 HydrophobicContact CD2-CD2 3.86Å; Y220-L232 HydrophobicContact CD2-CG 4.45Å; Y220-L232 HydrophobicContact CE2-CD1 4.04Å; Y220-L232 HydrophobicContact CE2-CD2 3.93Å; Y220-L232 HydrophobicContact CE2-CG 4.17Å; Y220-W235 HydrophobicContact CD2-CZ3 4.48Å
221F94.8Very high94.8Very high55 Ų5566.5 Ų66.524%0.24134%0.344CS..Hα-helixtrans-76.9-26.8-176.7-73.7-58.2000113.6Y213 Q217 R218 E219 T223Y213-F221 AromaticContact CD2-CD2 3.85Å; Y213-F221 HydrophobicContact CD2-CD2 3.85Å; Y213-F221 HydrophobicContact CD2-CE2 4.23Å; Y213-F221 AromaticContact CE2-CD2 3.66Å; Y213-F221 HydrophobicContact CE2-CD2 3.66Å; Y213-F221 AromaticContact CE2-CE2 3.8Å; Y213-F221 HydrophobicContact CE2-CE2 3.8Å; Q217-F221 HydrophobicContact CG-CD2 3.78Å; Q217-F221 HydrophobicContact CG-CE2 3.6Å; Q217-F221 WeakPolarHBondContact O-CD2 3.45Å; Q217-F221 PolarHBondContact O-N 2.92Å; Q217-F221 VanDerWaalsContact O-N 3.1Å; R218-F221 PolarHBondContact O-N 3.39Å; E219-F221 PolarHBondContact O-N 3.5Å; F221-T223 VanDerWaalsContact C-N 3.34Å
222S94Very high94.7Very high91 Ų9163.9 Ų63.964%0.63633%0.332SS*.Hα-helixtrans-75-2517165.40000112.6R218 E219R218-S222 VanDerWaalsContact O-CB 3.28Å; R218-S222 WeakPolarHBondContact O-CB 3.48Å; R218-S222 PolarHBondContact O-N 3.14Å; R218-S222 PolarHBondContact O-OG 3Å; E219-S222 WeakPolarHBondContact CA-OG 3.33Å; E219-S222 PolarHBondContact O-N 3.1Å; E219-S222 PolarHBondContact O-OG 2.89Å
223T95.3Very high94.5Very high22 Ų2261.1 Ų61.114%0.13532%0.324CS..SBendtrans-70.8128.1175.2-62.10000111.1E219 Y220 F221 M227 R228 L231E219-T223 VanDerWaalsContact O-CB 3.29Å; E219-T223 WeakPolarHBondContact O-CB 3.18Å; E219-T223 PolarHBondContact O-N 3.26Å; E219-T223 PolarHBondContact O-OG1 3.1Å; Y220-T223 PolarHBondContact O-N 3.36Å; F221-T223 VanDerWaalsContact C-N 3.34Å; T223-M227 HydrophobicContact CG2-CB 3.67Å; T223-R228 HydrophobicContact CG2-CG 3.95Å; T223-R228 PolarHBondContact O-NE 3.48Å; T223-R228 PolarHBondContact O-NH2 3.2Å; T223-L231 HydrophobicContact CG2-CD2 4.14Å
224P93.4Very high94.3Very high71 Ų7165.3 Ų65.346%0.46134%0.344SS..  trans-58.1144.8176.8-24.833.9000112.1S226 M227 R228P224-S226 PolarHBondContact O-N 2.84Å; P224-M227 HydrophobicContact CB-CG 4.5Å; P224-M227 PolarHBondContact O-N 3.34Å; P224-R228 PolarHBondContact O-N 2.89Å
225P92.1Very high94.2Very high94 Ų9462.9 Ų62.961%0.6133%0.331SS*.Hα-helixtrans-50.6-37.5-178-29.835.3000115M227 R228P225-M227 VanDerWaalsContact C-N 3.26Å; P225-M227 PolarHBondContact O-N 3.39Å; P225-R228 PolarHBondContact O-N 3.48Å
226S91.7Very high93.9Very high105 Ų10557.4 Ų57.473%0.73430%0.301SS*.Hα-helixtrans-65.9-24.3177.955.90000114.3P224P224-S226 PolarHBondContact O-N 2.84Å
227M93.8Very high93.7Very high111 Ų11157.7 Ų57.755%0.54731%0.309SS..Hα-helixtrans-99.7-14.7-177.9-61.3-60.4-69.100112.6T223 P224 P225 R229 A230 L231T223-M227 HydrophobicContact CG2-CB 3.67Å; P224-M227 HydrophobicContact CB-CG 4.5Å; P224-M227 PolarHBondContact O-N 3.34Å; P225-M227 VanDerWaalsContact C-N 3.26Å; P225-M227 PolarHBondContact O-N 3.39Å; M227-R229 PolarHBondContact O-N 3.1Å; M227-A230 PolarHBondContact O-N 2.99Å; M227-L231 PolarHBondContact O-N 3.4Å
228R93.6Very high93.4Very high36 Ų3660.5 Ų60.514%0.13632%0.321CS..Hα-helixtrans-59.3-33.3-177.7-73177.6-173.4163.10.2112.5D75 Y220 T223 P224 P225 L231 L232D75-R228 IonicContact OD2-NH1 2.64Å; Y220-R228 HydrophobicContact CD2-CG 4.48Å; Y220-R228 HydrophobicContact CE2-CB 4.24Å; Y220-R228 HydrophobicContact CE2-CG 4.16Å; Y220-R228 PolarHBondContact O-NE 2.75Å; T223-R228 HydrophobicContact CG2-CG 3.95Å; T223-R228 PolarHBondContact O-NE 3.48Å; T223-R228 PolarHBondContact O-NH2 3.2Å; P224-R228 PolarHBondContact O-N 2.89Å; P225-R228 PolarHBondContact O-N 3.48Å; R228-L231 PolarHBondContact O-N 3.25Å; R228-L232 WeakPolarHBondContact O-CB 3.41Å; R228-L232 VanDerWaalsContact O-CG 3.23Å; R228-L232 WeakPolarHBondContact O-CG 3.45Å; R228-L232 PolarHBondContact O-N 3.38Å
229R91.7Very high93Very high99 Ų9955.3 Ų55.337%0.37430%0.302SS..Hα-helixtrans-59.7-50.6178-178176.6-66.4-166-1.7111.8L70 D71 I73 M227 L231 L232 Q233L70-R229 PolarHBondContact O-NH2 2.91Å; D71-R229 PolarHBondContact O-NH2 3.37Å; D71-R229 IonicContact OD1-CZ 3.19Å; D71-R229 IonicContact OD1-NE 2.65Å; D71-R229 IonicContact OD1-NH1 3.03Å; D71-R229 PolarHBondContact OD1-NH1 2.87Å; I73-R229 PolarHBondContact O-NH2 3.12Å; M227-R229 PolarHBondContact O-N 3.1Å; R229-L231 VanDerWaalsContact C-N 3.32Å; R229-L231 PolarHBondContact O-N 3.26Å; R229-L232 PolarHBondContact O-N 2.9Å; R229-Q233 WeakPolarHBondContact O-CG 3.28Å; R229-Q233 PolarHBondContact O-N 3.47Å
230A93.1Very high92.4Very high53 Ų5356 Ų5644%0.43830%0.304SS..Hα-helixtrans-61.7-43179.600000111.3M227 L232 Q233 Q234M227-A230 PolarHBondContact O-N 2.99Å; A230-L232 PolarHBondContact O-N 3Å; A230-Q233 PolarHBondContact O-N 3.49Å; A230-Q234 PolarHBondContact O-N 2.95Å
231L95.1Very high91.9Very high14 Ų1463.5 Ų63.57%0.07334%0.339CS..Hα-helixtrans-57.5-48.8175.2-178.670.6000111.9E219 T223 M227 R228 R229 Q233 Q234 W235E219-L231 HydrophobicContact CG-CD1 4.25Å; E219-L231 HydrophobicContact CG-CD2 4.24Å; E219-L231 WeakPolarHBondContact OE1-CD1 3.16Å; T223-L231 HydrophobicContact CG2-CD2 4.14Å; M227-L231 PolarHBondContact O-N 3.4Å; R228-L231 PolarHBondContact O-N 3.25Å; R229-L231 VanDerWaalsContact C-N 3.32Å; R229-L231 PolarHBondContact O-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.28Å; L231-Q234 WeakPolarHBondContact O-CB 3.29Å; L231-Q234 PolarHBondContact O-N 3.23Å; L231-W235 HydrophobicContact CD1-CD2 4.49Å; L231-W235 HydrophobicContact CD1-CZ2 3.74Å; L231-W235 HydrophobicContact CD2-CH2 3.71Å; L231-W235 HydrophobicContact CD2-CZ2 3.67Å; L231-W235 HydrophobicContact CD2-CZ3 4.35Å; L231-W235 HydrophobicContact CG-CD2 4.22Å; L231-W235 HydrophobicContact CG-CH2 4.09Å; L231-W235 HydrophobicContact CG-CZ2 3.71Å; L231-W235 PolarHBondContact O-N 3.23Å
232L94.5Very high91.5Very high0 Ų066.6 Ų66.60%036%0.358CS..Hα-helixtrans-66.2-38.8-179.8-69-176.1000112.3F58 W59 L62 L70 P76 Y220 R228 R229 A230 Q234 W235 I236F58-L232 HydrophobicContact CE1-CD2 4.42Å; F58-L232 HydrophobicContact CZ-CD1 4.32Å; F58-L232 HydrophobicContact CZ-CD2 4.48Å; W59-L232 HydrophobicContact CZ3-CD2 4.21Å; L62-L232 HydrophobicContact CD1-CD1 4.09Å; L62-L232 HydrophobicContact CD2-CB 4.18Å; L62-L232 HydrophobicContact CD2-CD1 3.99Å; L62-L232 HydrophobicContact CD2-CD2 3.68Å; L62-L232 HydrophobicContact CD2-CG 4.15Å; L70-L232 HydrophobicContact CD1-CB 4.16Å; P76-L232 HydrophobicContact CB-CD1 3.91Å; P76-L232 HydrophobicContact CG-CD1 3.61Å; Y220-L232 HydrophobicContact CD2-CD2 3.86Å; Y220-L232 HydrophobicContact CD2-CG 4.45Å; Y220-L232 HydrophobicContact CE2-CD1 4.04Å; Y220-L232 HydrophobicContact CE2-CD2 3.93Å; Y220-L232 HydrophobicContact CE2-CG 4.17Å; R228-L232 WeakPolarHBondContact O-CB 3.41Å; R228-L232 VanDerWaalsContact O-CG 3.23Å; R228-L232 WeakPolarHBondContact O-CG 3.45Å; R228-L232 PolarHBondContact O-N 3.38Å; R229-L232 PolarHBondContact O-N 2.9Å; A230-L232 PolarHBondContact O-N 3Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-W235 HydrophobicContact CD2-CE3 3.81Å; L232-W235 HydrophobicContact CD2-CZ3 3.91Å; L232-W235 PolarHBondContact O-N 2.89Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.4Å; L232-I236 PolarHBondContact O-N 2.69Å
233Q92.3Very high90.6Very high62 Ų6264 Ų6429%0.2935%0.345SS..Hα-helixtrans-60.1-45.4174.5-76.8173.4-27.100111.1L70 R229 A230 L231 I236 L237L70-Q233 HydrophobicContact CD1-CG 3.6Å; R229-Q233 WeakPolarHBondContact O-CG 3.28Å; R229-Q233 PolarHBondContact O-N 3.47Å; A230-Q233 PolarHBondContact O-N 3.49Å; L231-Q233 PolarHBondContact O-N 3.28Å; Q233-I236 PolarHBondContact O-N 3.34Å; Q233-L237 VanDerWaalsContact O-CG 3.28Å; Q233-L237 WeakPolarHBondContact O-CG 3.44Å; Q233-L237 PolarHBondContact O-N 3.49Å; Q233-L237 VanDerWaalsContact O-N 3.08Å
234Q93.4Very high89.4Confident99 Ų9966.5 Ų66.546%0.46336%0.361SS..Hα-helixtrans-57.1-53.3175.4176.7-175.4-13.100111A230 L231 L232 I236 L237 E238A230-Q234 PolarHBondContact O-N 2.95Å; L231-Q234 WeakPolarHBondContact O-CB 3.29Å; L231-Q234 PolarHBondContact O-N 3.23Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; Q234-I236 VanDerWaalsContact C-N 3.34Å; Q234-I236 PolarHBondContact O-N 2.94Å; Q234-L237 WeakPolarHBondContact O-CB 3.4Å; Q234-L237 PolarHBondContact O-N 3.02Å; Q234-L237 VanDerWaalsContact O-N 3.11Å; Q234-E238 HydrophobicContact CG-CG 4.41Å; Q234-E238 VanDerWaalsContact CG-OE1 3.25Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.47Å; Q234-E238 PolarHBondContact NE2-OE1 2.99Å; Q234-E238 WeakPolarHBondContact O-CG 3.35Å; Q234-E238 PolarHBondContact O-N 3.46Å
235W93.6Very high87.9Confident7 Ų765.8 Ų65.83%0.02735%0.353CS..Hα-helixtrans-63.1-36.7-178-67.5-13.9000113.7F54 W59 R216 E219 Y220 L231 L232 L237 E238 D239F54-W235 HydrophobicContact CE1-CZ3 4.36Å; F54-W235 HydrophobicContact CZ-CZ3 4.01Å; W59-W235 HydrophobicContact CH2-CB 3.43Å; W59-W235 VanDerWaalsContact CH2-CB 3.43Å; W59-W235 HydrophobicContact CH2-CD2 4.48Å; W59-W235 AromaticContact CH2-CE3 3.95Å; W59-W235 HydrophobicContact CH2-CE3 3.95Å; W59-W235 HydrophobicContact CH2-CG 4.37Å; W59-W235 HydrophobicContact CZ2-CB 4.06Å; W59-W235 HydrophobicContact CZ3-CB 4.28Å; W59-W235 AromaticContact CZ3-CE3 3.69Å; W59-W235 HydrophobicContact CZ3-CE3 3.69Å; W59-W235 HydrophobicContact CZ3-CZ3 4.45Å; R216-W235 HydrophobicContact CB-CH2 4Å; R216-W235 HydrophobicContact CB-CZ2 4.28Å; R216-W235 HydrophobicContact CB-CZ3 4.34Å; R216-W235 HydrophobicContact CG-CH2 4.43Å; R216-W235 HydrophobicContact CG-CZ2 4.28Å; R216-W235 WeakPolarHBondContact O-CH2 3.41Å; E219-W235 HydrophobicContact CB-CH2 4.4Å; E219-W235 HydrophobicContact CB-CZ2 4.05Å; E219-W235 HydrophobicContact CG-CZ2 4.01Å; E219-W235 WeakPolarHBondContact OE2-CZ2 3.45Å; Y220-W235 HydrophobicContact CD2-CZ3 4.48Å; L231-W235 HydrophobicContact CD1-CD2 4.49Å; L231-W235 HydrophobicContact CD1-CZ2 3.74Å; L231-W235 HydrophobicContact CD2-CH2 3.71Å; L231-W235 HydrophobicContact CD2-CZ2 3.67Å; L231-W235 HydrophobicContact CD2-CZ3 4.35Å; L231-W235 HydrophobicContact CG-CD2 4.22Å; L231-W235 HydrophobicContact CG-CH2 4.09Å; L231-W235 HydrophobicContact CG-CZ2 3.71Å; L231-W235 PolarHBondContact O-N 3.23Å; L232-W235 HydrophobicContact CD2-CE3 3.81Å; L232-W235 HydrophobicContact CD2-CZ3 3.91Å; L232-W235 PolarHBondContact O-N 2.89Å; W235-L237 VanDerWaalsContact C-N 3.33Å; W235-E238 PolarHBondContact O-N 3.31Å; W235-D239 WeakPolarHBondContact O-CB 3.32Å; W235-D239 PolarHBondContact O-N 2.91Å
236I90.8Very high85.5Confident0 Ų069.1 Ų69.10%036%0.36CS..Hα-helixtrans-65.6-39.3175.6-66.9170.2000110.5W59 L62 C67 L70 L232 Q233 Q234 K240 I245W59-I236 HydrophobicContact CH2-CG1 4.18Å; L62-I236 HydrophobicContact CD2-CD1 4.06Å; L62-I236 HydrophobicContact CD2-CG1 4.31Å; L62-I236 HydrophobicContact CG-CD1 4.1Å; C67-I236 WeakPolarHBondContact SG-CG2 3.49Å; L70-I236 HydrophobicContact CD1-CD1 3.83Å; L70-I236 HydrophobicContact CD2-CD1 4.48Å; L70-I236 HydrophobicContact CG-CD1 4.41Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.4Å; L232-I236 PolarHBondContact O-N 2.69Å; Q233-I236 PolarHBondContact O-N 3.34Å; Q234-I236 VanDerWaalsContact C-N 3.34Å; Q234-I236 PolarHBondContact O-N 2.94Å; I236-K240 HydrophobicContact CG2-CD 4.47Å; I236-K240 VanDerWaalsContact O-CG 3.32Å; I236-K240 WeakPolarHBondContact O-CG 3.37Å; I236-K240 PolarHBondContact O-N 2.92Å; I236-I245 HydrophobicContact CG2-CD1 4.26Å
237L89.6Confident83Confident87 Ų8767.9 Ų67.946%0.45536%0.364SS..Hα-helixtrans-66.7-42.2176.6-69.7170.6000111.7Q233 Q234 W235 K240 Q241Q233-L237 VanDerWaalsContact O-CG 3.28Å; Q233-L237 WeakPolarHBondContact O-CG 3.44Å; Q233-L237 PolarHBondContact O-N 3.49Å; Q233-L237 VanDerWaalsContact O-N 3.08Å; Q234-L237 WeakPolarHBondContact O-CB 3.4Å; Q234-L237 PolarHBondContact O-N 3.02Å; Q234-L237 VanDerWaalsContact O-N 3.11Å; W235-L237 VanDerWaalsContact C-N 3.33Å; L237-K240 WeakPolarHBondContact O-CB 3.47Å; L237-K240 PolarHBondContact O-N 3.2Å; L237-Q241 WeakPolarHBondContact O-CG 3.28Å; L237-Q241 PolarHBondContact O-N 2.93Å
238E90.1Very high80.1Confident59 Ų5971.4 Ų71.428%0.27638%0.379SS..Hα-helixtrans-60.5-48.1174.4-71.8170.9-178.600111.6Q234 W235 K240 Q241 N242Q234-E238 HydrophobicContact CG-CG 4.41Å; Q234-E238 VanDerWaalsContact CG-OE1 3.25Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.47Å; Q234-E238 PolarHBondContact NE2-OE1 2.99Å; Q234-E238 WeakPolarHBondContact O-CG 3.35Å; Q234-E238 PolarHBondContact O-N 3.46Å; W235-E238 PolarHBondContact O-N 3.31Å; E238-K240 VanDerWaalsContact C-N 3.27Å; E238-K240 PolarHBondContact O-N 3.11Å; E238-Q241 PolarHBondContact O-N 3.08Å; E238-Q241 VanDerWaalsContact O-N 3.17Å; E238-N242 WeakPolarHBondContact O-CB 3.43Å; E238-N242 VanDerWaalsContact O-CG 3.31Å; E238-N242 PolarHBondContact O-N 3.35Å; E238-N242 PolarHBondContact O-ND2 3.44Å
239D87.2Confident77.1Confident6 Ų675.3 Ų75.33%0.03241%0.409CS..Hα-helixtrans-62.9-33.2177.8-83.720.9000111.6W59 R216 W235 G243 V244 I245W59-D239 VanDerWaalsContact CE2-OD2 3.28Å; W59-D239 WeakPolarHBondContact CZ2-OD2 3.35Å; W59-D239 PolarHBondContact NE1-OD2 3.33Å; R216-D239 IonicContact CZ-OD1 3.89Å; R216-D239 IonicContact NH1-OD1 2.72Å; R216-D239 PolarHBondContact NH1-OD1 3.44Å; R216-D239 VanDerWaalsContact NH1-OD1 3.1Å; R216-D239 IonicContact NH1-OD2 2.65Å; R216-D239 IonicContact NH2-OD1 2.63Å; R216-D239 PolarHBondContact NH2-OD1 2.63Å; W235-D239 WeakPolarHBondContact O-CB 3.32Å; W235-D239 PolarHBondContact O-N 2.91Å; D239-G243 PolarHBondContact O-N 3.33Å; D239-V244 HydrophobicContact CB-CB 4.24Å; D239-V244 WeakPolarHBondContact O-CB 3.25Å; D239-V244 PolarHBondContact O-N 3.28Å; D239-I245 HydrophobicContact CB-CD1 4.07Å; D239-I245 HydrophobicContact CB-CG1 3.98Å; D239-I245 PolarHBondContact O-N 3.24Å
240K83.9Confident74.4Confident104 Ų10477.7 Ų77.745%0.45243%0.427SS..Hα-helixtrans-66.5-45.8172.2-76.6177.5179.9-178.90111.9I236 L237 E238 N242 G243 I245I236-K240 HydrophobicContact CG2-CD 4.47Å; I236-K240 VanDerWaalsContact O-CG 3.32Å; I236-K240 WeakPolarHBondContact O-CG 3.37Å; I236-K240 PolarHBondContact O-N 2.92Å; L237-K240 WeakPolarHBondContact O-CB 3.47Å; L237-K240 PolarHBondContact O-N 3.2Å; E238-K240 VanDerWaalsContact C-N 3.27Å; E238-K240 PolarHBondContact O-N 3.11Å; K240-N242 VanDerWaalsContact C-N 3.3Å; K240-N242 PolarHBondContact O-N 3.17Å; K240-G243 PolarHBondContact O-N 3.45Å; K240-I245 HydrophobicContact CG-CB 4.33Å; K240-I245 HydrophobicContact CG-CD1 3.97Å; K240-I245 HydrophobicContact CG-CG1 4.4Å
241Q86.2Confident71.4Confident159 Ų15983.1 Ų83.174%0.74345%0.448SS*.Hα-helixtrans-64.1-37.1179.3-72.9173.7-000111.9L237 E238 G243L237-Q241 WeakPolarHBondContact O-CG 3.28Å; L237-Q241 PolarHBondContact O-N 2.93Å; E238-Q241 PolarHBondContact O-N 3.08Å; E238-Q241 VanDerWaalsContact O-N 3.17Å; Q241-G243 PolarHBondContact O-N 2.97Å
242N86.3Confident68.1Low119 Ų11991 Ų9164%0.63648%0.482SS*.THydrogen-bonded Turntrans-80.14.6179.1-66.3-30.3000113.8E238 K240 V244E238-N242 WeakPolarHBondContact O-CB 3.43Å; E238-N242 VanDerWaalsContact O-CG 3.31Å; E238-N242 PolarHBondContact O-N 3.35Å; E238-N242 PolarHBondContact O-ND2 3.44Å; K240-N242 VanDerWaalsContact C-N 3.3Å; K240-N242 PolarHBondContact O-N 3.17Å; N242-V244 HydrophobicContact CB-CG2 4.06Å; N242-V244 PolarHBondContact O-N 3.04Å
243G75.3Confident65.3Low36 Ų36102.2 Ų102.237%0.37154%0.542SS..THydrogen-bonded Turntrans7013.6179.100000114.7D239 K240 Q241 I245D239-G243 PolarHBondContact O-N 3.33Å; K240-G243 PolarHBondContact O-N 3.45Å; Q241-G243 PolarHBondContact O-N 2.97Å; G243-I245 VanDerWaalsContact C-N 3.3Å
244V70.5Confident64Low76 Ų76104.3 Ų104.346%0.46156%0.555SS.*  trans-75.6-23.2-179.3-179.40000111.3D239 N242D239-V244 HydrophobicContact CB-CB 4.24Å; D239-V244 WeakPolarHBondContact O-CB 3.25Å; D239-V244 PolarHBondContact O-N 3.28Å; N242-V244 HydrophobicContact CB-CG2 4.06Å; N242-V244 PolarHBondContact O-N 3.04Å
245I60.9Low62.4Low56 Ų56104.5 Ų104.529%0.28756%0.56SS.*  trans-103.167.4172.9-44.8-170.3000109.4R63 I236 D239 K240 G243R63-I245 HydrophobicContact CB-CD1 4.22Å; R63-I245 HydrophobicContact CG-CD1 3.78Å; R63-I245 HydrophobicContact CG-CG1 4.38Å; I236-I245 HydrophobicContact CG2-CD1 4.26Å; D239-I245 HydrophobicContact CB-CD1 4.07Å; D239-I245 HydrophobicContact CB-CG1 3.98Å; D239-I245 PolarHBondContact O-N 3.24Å; K240-I245 HydrophobicContact CG-CB 4.33Å; K240-I245 HydrophobicContact CG-CD1 3.97Å; K240-I245 HydrophobicContact CG-CG1 4.4Å; G243-I245 VanDerWaalsContact C-N 3.3Å
246Q42.3Very low60.7Low164 Ų164109.9 Ų109.977%0.76659%0.589SS**PPolyproline II helixtrans-92.6129.9160.1-72.8-171.42.500108.5Q248Q246-Q248 PolarHBondContact O-N 3.45Å
247G38.9Very low58.9Low79 Ų79116.4 Ų116.481%0.81462%0.624SS**PPolyproline II helixtrans-47.4120.5-161.300000115.2
248Q31.9Very low57Low184 Ų184118.3 Ų118.386%0.8663%0.634SS**PPolyproline II helixtrans-88.5138149.9-81.9-173.5-27.400108.3Q246 I250Q246-Q248 PolarHBondContact O-N 3.45Å; Q248-I250 PolarHBondContact O-N 3.29Å
249P30.8Very low54.8Low119 Ų119122.2 Ų122.277%0.77366%0.658SS**PPolyproline II helixtrans-61.7132.9178.93.66.4000108.5L251P249-L251 PolarHBondContact O-N 3.46Å; P249-L251 VanDerWaalsContact O-N 3.12Å
250I35.8Very low52.5Low148 Ų148130.5 Ų130.576%0.75970%0.703SS**  trans-45.6122.1157.6-59.5168.2000105.5Q248 K252Q248-I250 PolarHBondContact O-N 3.29Å; I250-K252 PolarHBondContact O-N 2.79Å
251L30Very low50.1Low167 Ų167132.5 Ų132.587%0.87472%0.722SS**  trans-53.393.3164.2-82156.4000106.8P249P249-L251 PolarHBondContact O-N 3.46Å; P249-L251 VanDerWaalsContact O-N 3.12Å
252K26.5Very low47.1Very low180 Ų180130.3 Ų130.378%0.78372%0.721SS**  trans-80.9104.9155-76.6-174.4174.7-176.80104.3I250I250-K252 PolarHBondContact O-N 2.79Å
253D35.9Very low43.5Very low236 Ų236131.4 Ų131.4100%1.26273%0.728SS**  -173.60123.2-78.1-19.6000109

Retrieved 253 of 253 residues in 150.3 ms (Link to these results)

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