G4V9Y3_SCHMA Loading...

Putative transmembrane transport protein

AlphaFold DB , UniProt , Accession G4V9Y3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 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
1M69.1Low86.7Confident182 Ų182116.5 Ų116.590%0.89760%0.602SS**  0-43.90-154.417072.900111.4T4 F5M1-T4 WeakPolarHBondContact CA-OG1 3.4Å; M1-T4 PolarHBondContact O-OG1 3.4Å; M1-F5 HydrophobicContact CG-CD2 4.49Å; M1-F5 HydrophobicContact CG-CE2 4.12Å; M1-F5 WeakPolarHBondContact O-CD2 3.48Å; M1-F5 PolarHBondContact O-N 3.09Å
2E84.6Confident86.9Confident167 Ų167113.2 Ų113.278%0.7860%0.595SS**Hα-helixtrans-65.9-44176.6-60.3-164.2162.700113.7T4 F5 V6E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.31Å; E2-F5 WeakPolarHBondContact O-CB 3.37Å; E2-F5 PolarHBondContact O-N 3.47Å; E2-F5 VanDerWaalsContact O-N 3.09Å; E2-V6 PolarHBondContact O-N 2.68Å; E2-V6 VanDerWaalsContact O-N 3.16Å
3L85Confident86.9Confident140 Ų140111.2 Ų111.273%0.73358%0.584SS**Hα-helixtrans-60.8-36.5179.3-158.586.6000112.8F5 V6 V7L3-F5 VanDerWaalsContact C-N 3.34Å; L3-V6 PolarHBondContact O-N 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.19Å; L3-V7 PolarHBondContact O-N 3.05Å
4T87.9Confident86.6Confident83 Ų83114.8 Ų114.851%0.50960%0.596SS.*Hα-helixtrans-66.5-36177.242.10000111.7M1 E2 I8M1-T4 WeakPolarHBondContact CA-OG1 3.4Å; M1-T4 PolarHBondContact O-OG1 3.4Å; E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.31Å; T4-I8 WeakPolarHBondContact O-CB 3.43Å; T4-I8 WeakPolarHBondContact O-CD1 3.49Å; T4-I8 WeakPolarHBondContact O-CG1 3.4Å; T4-I8 PolarHBondContact O-N 3.09Å; T4-I8 VanDerWaalsContact O-N 3.09Å
5F89.4Confident86.1Confident141 Ų141116.3 Ų116.362%0.61860%0.604SS**Hα-helixtrans-65.9-40.4173.8-83.8-74.2000112M1 E2 L3 I8 F9M1-F5 HydrophobicContact CG-CD2 4.49Å; M1-F5 HydrophobicContact CG-CE2 4.12Å; M1-F5 WeakPolarHBondContact O-CD2 3.48Å; M1-F5 PolarHBondContact O-N 3.09Å; E2-F5 WeakPolarHBondContact O-CB 3.37Å; E2-F5 PolarHBondContact O-N 3.47Å; E2-F5 VanDerWaalsContact O-N 3.09Å; L3-F5 VanDerWaalsContact C-N 3.34Å; F5-I8 PolarHBondContact O-N 3.5Å; F5-F9 WeakPolarHBondContact O-CB 3.2Å; F5-F9 PolarHBondContact O-N 2.93Å
6V90.1Very high85.8Confident87 Ų87114.5 Ų114.553%0.52761%0.605SS.*Hα-helixtrans-64.3-44.7177.8177.80000111.5E2 L3 F9 C10E2-V6 PolarHBondContact O-N 2.68Å; E2-V6 VanDerWaalsContact O-N 3.16Å; L3-V6 PolarHBondContact O-N 3.28Å; V6-F9 PolarHBondContact O-N 2.96Å; V6-C10 PolarHBondContact O-N 3.36Å; V6-C10 PolarHBondContact O-SG 3.46Å
7V90.4Very high85.2Confident79 Ų79116.8 Ų116.848%0.47961%0.612SS.*Hα-helixtrans-64.5-42.8178.8174.40000111.4L3 F9 C10 L11L3-V7 WeakPolarHBondContact O-CG2 3.19Å; L3-V7 PolarHBondContact O-N 3.05Å; V7-F9 VanDerWaalsContact C-N 3.31Å; V7-F9 PolarHBondContact O-N 3.04Å; V7-C10 PolarHBondContact O-N 3.38Å; V7-L11 HydrophobicContact CG1-CD1 4.15Å; V7-L11 WeakPolarHBondContact O-CG 3.1Å; V7-L11 PolarHBondContact O-N 3.16Å
8I90Very high84.7Confident99 Ų99113.3 Ų113.351%0.50861%0.609SS.*Hα-helixtrans-61.2-42.1174.9-68.3165.7000110.4T4 F5 L11 C12T4-I8 WeakPolarHBondContact O-CB 3.43Å; T4-I8 WeakPolarHBondContact O-CD1 3.49Å; T4-I8 WeakPolarHBondContact O-CG1 3.4Å; T4-I8 PolarHBondContact O-N 3.09Å; T4-I8 VanDerWaalsContact O-N 3.09Å; F5-I8 PolarHBondContact O-N 3.5Å; I8-L11 PolarHBondContact O-N 3.26Å; I8-C12 PolarHBondContact O-N 3.23Å; I8-C12 PolarHBondContact O-SG 3.31Å
9F89.1Confident84.7Confident137 Ų137115.9 Ų115.960%0.60162%0.62SS**Hα-helixtrans-63.8-44178.1-174.5-104.2000112.5F5 V6 V7 L11 C12 I13F5-F9 WeakPolarHBondContact O-CB 3.2Å; F5-F9 PolarHBondContact O-N 2.93Å; V6-F9 PolarHBondContact O-N 2.96Å; V7-F9 VanDerWaalsContact C-N 3.31Å; V7-F9 PolarHBondContact O-N 3.04Å; F9-L11 PolarHBondContact O-N 3.19Å; F9-C12 WeakPolarHBondContact O-CB 3.46Å; F9-C12 PolarHBondContact O-N 3.43Å; F9-I13 HydrophobicContact CD1-CD1 3.78Å; F9-I13 HydrophobicContact CD1-CG1 4.48Å; F9-I13 HydrophobicContact CE1-CD1 3.5Å; F9-I13 HydrophobicContact CE1-CG1 4.22Å; F9-I13 HydrophobicContact CZ-CD1 4.17Å; F9-I13 HydrophobicContact CZ-CG1 4.45Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.47Å; F9-I13 VanDerWaalsContact O-N 3.08Å
10C88.7Confident85Confident68 Ų68113.5 Ų113.546%0.45960%0.604SS.*Hα-helixtrans-60-43.9174.6-72.20000112.2V6 V7 C12 I13 E14V6-C10 PolarHBondContact O-N 3.36Å; V6-C10 PolarHBondContact O-SG 3.46Å; V7-C10 PolarHBondContact O-N 3.38Å; C10-C12 VanDerWaalsContact C-N 3.31Å; C10-C12 PolarHBondContact O-N 3.19Å; C10-I13 PolarHBondContact O-N 3.43Å; C10-E14 PolarHBondContact O-N 3.42Å
11L89.8Confident85.3Confident98 Ų98109.8 Ų109.851%0.51358%0.583SS.*Hα-helixtrans-61.3-39.9175.4-72.1166.1000111.5V7 I8 F9 I13 E14 L15V7-L11 HydrophobicContact CG1-CD1 4.15Å; V7-L11 WeakPolarHBondContact O-CG 3.1Å; V7-L11 PolarHBondContact O-N 3.16Å; I8-L11 PolarHBondContact O-N 3.26Å; F9-L11 PolarHBondContact O-N 3.19Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 2.94Å; L11-E14 PolarHBondContact O-N 3.08Å; L11-L15 WeakPolarHBondContact O-CD1 3.45Å
12C88.5Confident86.3Confident77 Ų77104.5 Ų104.552%0.5256%0.556SS.*Hα-helixtrans-64.1-33.2176.2-71.80000113.3I8 F9 C10 E14 L15I8-C12 PolarHBondContact O-N 3.23Å; I8-C12 PolarHBondContact O-SG 3.31Å; F9-C12 WeakPolarHBondContact O-CB 3.46Å; F9-C12 PolarHBondContact O-N 3.43Å; C10-C12 VanDerWaalsContact C-N 3.31Å; C10-C12 PolarHBondContact O-N 3.19Å; C12-E14 VanDerWaalsContact C-N 3.31Å; C12-E14 PolarHBondContact O-N 3.48Å; C12-L15 PolarHBondContact O-N 3.27Å
13I87Confident86.5Confident88 Ų8896.7 Ų96.745%0.45152%0.519SS..Hα-helixtrans-64-38.7177.4-68164000110.8F9 C10 L11 L15 S16F9-I13 HydrophobicContact CD1-CD1 3.78Å; F9-I13 HydrophobicContact CD1-CG1 4.48Å; F9-I13 HydrophobicContact CE1-CD1 3.5Å; F9-I13 HydrophobicContact CE1-CG1 4.22Å; F9-I13 HydrophobicContact CZ-CD1 4.17Å; F9-I13 HydrophobicContact CZ-CG1 4.45Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.47Å; F9-I13 VanDerWaalsContact O-N 3.08Å; C10-I13 PolarHBondContact O-N 3.43Å; L11-I13 VanDerWaalsContact C-N 3.32Å; L11-I13 PolarHBondContact O-N 2.94Å; I13-L15 PolarHBondContact O-N 3.26Å; I13-S16 WeakPolarHBondContact O-CB 3.38Å; I13-S16 PolarHBondContact O-N 2.76Å; I13-S16 PolarHBondContact O-OG 3.03Å
14E82.2Confident86.6Confident161 Ų16196.4 Ų96.475%0.75251%0.512SS*.Hα-helixtrans-66.3-21178.4-64.4-172.5179.700113.2C10 L11 C12C10-E14 PolarHBondContact O-N 3.42Å; L11-E14 PolarHBondContact O-N 3.08Å; C12-E14 VanDerWaalsContact C-N 3.31Å; C12-E14 PolarHBondContact O-N 3.48Å
15L80.3Confident86.3Confident137 Ų13792.8 Ų92.872%0.71749%0.49SS*.THydrogen-bonded Turntrans-85.6-5.5173.5-79.392000113.7L11 C12 I13 Q17L11-L15 WeakPolarHBondContact O-CD1 3.45Å; C12-L15 PolarHBondContact O-N 3.27Å; I13-L15 PolarHBondContact O-N 3.26Å; L15-Q17 PolarHBondContact O-N 3.23Å
16S80.2Confident85.9Confident88 Ų8891.6 Ų91.662%0.61549%0.494SS*.PPolyproline II helixtrans-67.8123.4-179.767.70000110.7I13I13-S16 WeakPolarHBondContact O-CB 3.38Å; I13-S16 PolarHBondContact O-N 2.76Å; I13-S16 PolarHBondContact O-OG 3.03Å
17Q76.3Confident85.8Confident154 Ų15490.1 Ų90.172%0.7248%0.481SS*.PPolyproline II helixtrans-98.3143.5171.9-65.6-68.7-48.300108.6L15 F20L15-Q17 PolarHBondContact O-N 3.23Å; Q17-F20 HydrophobicContact CB-CE1 4.44Å
18G76.6Confident85.8Confident54 Ų5492.2 Ų92.256%0.55749%0.486SS*.PPolyproline II helixtrans-65.1164.4173.700000112.4F20G18-F20 VanDerWaalsContact O-CD1 3.25Å; G18-F20 WeakPolarHBondContact O-CD1 3.46Å; G18-F20 PolarHBondContact O-N 3.17Å
19I84.9Confident86Confident162 Ų16292.6 Ų92.683%0.83148%0.481SS*.PPolyproline II helixtrans-69.3127.5176.4-60.6173.4000108.9
20F90Very high86.3Confident67 Ų6788.4 Ų88.429%0.29447%0.468SS..  trans-145159.2170.560.8-96.3000108.9Q17 G18 H22 R114 V115 H116Q17-F20 HydrophobicContact CB-CE1 4.44Å; G18-F20 VanDerWaalsContact O-CD1 3.25Å; G18-F20 WeakPolarHBondContact O-CD1 3.46Å; G18-F20 PolarHBondContact O-N 3.17Å; F20-H22 AromaticContact CE2-CE1 3.98Å; F20-H22 AromaticContact CE2-NE2 3.91Å; F20-R114 HydrophobicContact CB-CG 3.87Å; F20-R114 HydrophobicContact CD2-CG 3.68Å; F20-R114 HydrophobicContact CE2-CG 4.49Å; F20-R114 HydrophobicContact CG-CG 3.89Å; F20-V115 WeakPolarHBondContact CA-O 3.27Å; F20-V115 WeakPolarHBondContact CB-O 3.37Å; F20-H116 AromaticContact CD1-CE1 3.98Å
21F91.2Very high86.6Confident37 Ų3788.4 Ų88.416%0.16246%0.461CS..EExtended strand (participates in β ladder)trans-129.4156.6172.757.8-84.9000110.3M23 R29 F31 R114 V115 L117F21-M23 HydrophobicContact CE2-CE 3.98Å; F21-R29 HydrophobicContact CD2-CG 4.32Å; F21-R29 HydrophobicContact CE2-CB 4.04Å; F21-R29 HydrophobicContact CE2-CG 4.16Å; F21-F31 AromaticContact CD1-CZ 3.92Å; F21-F31 HydrophobicContact CD1-CZ 3.92Å; F21-F31 AromaticContact CE1-CE2 3.88Å; F21-F31 HydrophobicContact CE1-CE2 3.88Å; F21-F31 AromaticContact CE1-CZ 3.47Å; F21-F31 HydrophobicContact CE1-CZ 3.47Å; F21-F31 VanDerWaalsContact CE1-CZ 3.47Å; F21-F31 HydrophobicContact CE2-CE2 4.28Å; F21-F31 HydrophobicContact CE2-CZ 4.21Å; F21-F31 HydrophobicContact CG-CZ 4.47Å; F21-F31 AromaticContact CZ-CE2 3.62Å; F21-F31 HydrophobicContact CZ-CE2 3.62Å; F21-F31 AromaticContact CZ-CZ 3.62Å; F21-F31 HydrophobicContact CZ-CZ 3.62Å; F21-R114 WeakPolarHBondContact O-CA 3.32Å; F21-V115 HydrophobicContact CD1-CB 4.35Å; F21-V115 HydrophobicContact CD2-CB 4.09Å; F21-V115 HydrophobicContact CD2-CG2 4.29Å; F21-V115 HydrophobicContact CE1-CB 3.84Å; F21-V115 HydrophobicContact CE1-CG1 3.87Å; F21-V115 HydrophobicContact CE2-CB 3.57Å; F21-V115 HydrophobicContact CE2-CG1 4.03Å; F21-V115 HydrophobicContact CE2-CG2 3.72Å; F21-V115 HydrophobicContact CG-CB 4.47Å; F21-V115 HydrophobicContact CZ-CB 3.43Å; F21-V115 VanDerWaalsContact CZ-CB 3.43Å; F21-V115 HydrophobicContact CZ-CG1 3.43Å; F21-V115 VanDerWaalsContact CZ-CG1 3.43Å; F21-V115 HydrophobicContact CZ-CG2 4.03Å; F21-V115 PolarHBondContact N-O 3.43Å; F21-V115 VanDerWaalsContact N-O 3.08Å; F21-V115 PolarHBondContact O-N 2.92Å; F21-L117 HydrophobicContact CE1-CB 3.86Å; F21-L117 HydrophobicContact CE1-CD2 4.5Å; F21-L117 HydrophobicContact CZ-CB 4.4Å
22H90.8Very high86.9Confident70 Ų7088.1 Ų88.132%0.32446%0.459SS..EExtended strand (participates in β ladder)trans-98.9138174.3-64138.8000110.1F20 F55 L113F20-H22 AromaticContact CE2-CE1 3.98Å; F20-H22 AromaticContact CE2-NE2 3.91Å; H22-F55 AromaticContact NE2-CZ 3.58Å; H22-L113 CarbonylContact C-O 3.55Å; H22-L113 VanDerWaalsContact CA-O 3.23Å; H22-L113 WeakPolarHBondContact CA-O 3.44Å
23M89.2Confident87.3Confident3 Ų387.6 Ų87.62%0.01545%0.449CS..EExtended strand (participates in β ladder)trans-132.8151.8172.867.9179.84.900109.9F21 R29 L47 I100 L113 V115F21-M23 HydrophobicContact CE2-CE 3.98Å; M23-R29 HydrophobicContact CB-CG 4.47Å; M23-R29 HydrophobicContact CE-CB 4.01Å; M23-R29 HydrophobicContact CE-CG 3.98Å; M23-L47 HydrophobicContact SD-CD1 4.35Å; M23-I100 HydrophobicContact CE-CG2 4.2Å; M23-I100 WeakPolarHBondContact CE-O 3.5Å; M23-L113 HydrophobicContact CG-CB 3.73Å; M23-L113 HydrophobicContact CG-CD1 4.25Å; M23-L113 PolarHBondContact N-O 2.9Å; M23-L113 WeakPolarHBondContact O-CB 3.44Å; M23-L113 PolarHBondContact O-N 3.39Å; M23-V115 HydrophobicContact CE-CG2 4.11Å; M23-V115 HydrophobicContact CG-CG2 3.68Å; M23-V115 HydrophobicContact SD-CG2 3.24Å; M23-V115 WeakPolarHBondContact SD-CG2 3.15Å
24K85.9Confident87.6Confident134 Ų13486.3 Ų86.358%0.58344%0.443SS*.EExtended strand (participates in β ladder)trans-84158.2167.7-60.7175.6-178.7177.10109.7T26 E27K24-T26 VanDerWaalsContact C-N 3.26Å; K24-T26 PolarHBondContact O-N 3.1Å; K24-T26 VanDerWaalsContact O-N 3.16Å; K24-E27 HydrophobicContact CB-CB 4.03Å; K24-E27 PolarHBondContact N-OE2 2.93Å; K24-E27 PolarHBondContact O-N 3.28Å
25E80.7Confident88.1Confident7 Ų778.7 Ų78.73%0.03341%0.407CS..THydrogen-bonded Turntrans-52.5-38-178.1-74.6166.7-161.800114S102 G110 S111 L113E25-S102 WeakPolarHBondContact O-CB 3.49Å; E25-G110 PolarHBondContact OE2-N 2.94Å; E25-S111 WeakPolarHBondContact OE1-CB 3.33Å; E25-S111 PolarHBondContact OE1-N 2.9Å; E25-S111 PolarHBondContact OE1-OG 3.44Å; E25-L113 HydrophobicContact CG-CD1 4.16Å; E25-L113 HydrophobicContact CG-CG 4.38Å
26T81.2Confident88.8Confident116 Ų11672.5 Ų72.571%0.71238%0.375SS*.THydrogen-bonded Turntrans-98.94-179.263.80000113.9K24 A106K24-T26 VanDerWaalsContact C-N 3.26Å; K24-T26 PolarHBondContact O-N 3.1Å; K24-T26 VanDerWaalsContact O-N 3.16Å; T26-A106 HydrophobicContact CG2-CB 4.23Å
27E88Confident89.4Confident56 Ų5673 Ų7326%0.26237%0.368SS..  trans-90.9127.2-177.2-173.9-179.1170.800109.8K24 R29K24-E27 HydrophobicContact CB-CB 4.03Å; K24-E27 PolarHBondContact N-OE2 2.93Å; K24-E27 PolarHBondContact O-N 3.28Å; E27-R29 IonicContact OE1-CZ 2.72Å; E27-R29 IonicContact OE1-NE 3.2Å; E27-R29 PolarHBondContact OE1-NE 2.8Å; E27-R29 IonicContact OE1-NH2 2.73Å; E27-R29 PolarHBondContact OE1-NH2 3.21Å
28E91.6Very high90.2Very high123 Ų12370.4 Ų70.458%0.57536%0.359SS*.  trans-91.2139.1168.970.6178.5-145.800110.6I100E28-I100 WeakPolarHBondContact CA-O 3.35Å
29R94Very high91Very high107 Ų10768.2 Ų68.240%0.40434%0.335SS..EExtended strand (participates in β ladder)trans-119.5124.8171.3-70.7-63-174.4115.9-0.9109.2F21 M23 E27 F31 C99 I100F21-R29 HydrophobicContact CD2-CG 4.32Å; F21-R29 HydrophobicContact CE2-CB 4.04Å; F21-R29 HydrophobicContact CE2-CG 4.16Å; M23-R29 HydrophobicContact CB-CG 4.47Å; M23-R29 HydrophobicContact CE-CB 4.01Å; M23-R29 HydrophobicContact CE-CG 3.98Å; E27-R29 IonicContact OE1-CZ 2.72Å; E27-R29 IonicContact OE1-NE 3.2Å; E27-R29 PolarHBondContact OE1-NE 2.8Å; E27-R29 IonicContact OE1-NH2 2.73Å; E27-R29 PolarHBondContact OE1-NH2 3.21Å; R29-F31 HydrophobicContact CB-CE2 4.28Å; R29-C99 CarbonylContact O-C 3.51Å; R29-C99 WeakPolarHBondContact O-CA 3.14Å; R29-I100 PolarHBondContact N-O 2.7Å; R29-I100 PolarHBondContact O-N 2.71Å
30C95.5Very high91.5Very high49 Ų4963.5 Ų63.533%0.33131%0.311SS..EExtended strand (participates in β ladder)trans-112.4134.6-179.2-56.40000110.9K97 I98 C99C30-K97 HydrophobicContact CB-CD 4.07Å; C30-K97 HydrophobicContact CB-CG 3.72Å; C30-I98 CarbonylContact C-O 3.53Å; C30-I98 WeakPolarHBondContact CA-O 3.46Å; C30-C99 HydrophobicContact CB-CB 4.11Å; C30-C99 WeakPolarHBondContact CB-SG 3.28Å; C30-C99 WeakPolarHBondContact SG-CB 3.49Å; C30-C99 CovalentContact SG-SG 2.05Å; C30-C99 PolarHBondContact SG-SG 2.79Å
31F95.4Very high91.7Very high69 Ų6960.3 Ų60.330%0.30330%0.297SS..EExtended strand (participates in β ladder)trans-110.6135.8175.5-62.6-91000108.6F21 R29 K97 I98 L117 I119F21-F31 AromaticContact CD1-CZ 3.92Å; F21-F31 HydrophobicContact CD1-CZ 3.92Å; F21-F31 AromaticContact CE1-CE2 3.88Å; F21-F31 HydrophobicContact CE1-CE2 3.88Å; F21-F31 AromaticContact CE1-CZ 3.47Å; F21-F31 HydrophobicContact CE1-CZ 3.47Å; F21-F31 VanDerWaalsContact CE1-CZ 3.47Å; F21-F31 HydrophobicContact CE2-CE2 4.28Å; F21-F31 HydrophobicContact CE2-CZ 4.21Å; F21-F31 HydrophobicContact CG-CZ 4.47Å; F21-F31 AromaticContact CZ-CE2 3.62Å; F21-F31 HydrophobicContact CZ-CE2 3.62Å; F21-F31 AromaticContact CZ-CZ 3.62Å; F21-F31 HydrophobicContact CZ-CZ 3.62Å; R29-F31 HydrophobicContact CB-CE2 4.28Å; F31-K97 WeakPolarHBondContact O-CA 3.41Å; F31-I98 PolarHBondContact N-O 3.25Å; F31-I98 PolarHBondContact O-N 2.89Å; F31-L117 HydrophobicContact CD2-CD2 3.46Å; F31-L117 VanDerWaalsContact CD2-CD2 3.46Å; F31-L117 HydrophobicContact CE2-CD2 3.5Å; F31-L117 VanDerWaalsContact CE2-CD2 3.5Å; F31-L117 HydrophobicContact CG-CD2 4.06Å; F31-L117 HydrophobicContact CZ-CD2 4.11Å; F31-I119 HydrophobicContact CB-CD1 4.2Å
32L96.3Very high92Very high92 Ų9258.6 Ų58.648%0.48229%0.29SS..EExtended strand (participates in β ladder)trans-101.1119.8-179.4-59.8175.2000107.6E95 Y96 K97L32-E95 HydrophobicContact CB-CG 3.81Å; L32-E95 WeakPolarHBondContact CD1-OE1 3.29Å; L32-E95 HydrophobicContact CD2-CG 4.13Å; L32-E95 WeakPolarHBondContact CD2-OE1 3.39Å; L32-E95 HydrophobicContact CG-CG 4.39Å; L32-Y96 WeakPolarHBondContact CA-O 3.41Å; L32-K97 HydrophobicContact CD2-CB 3.82Å; L32-K97 HydrophobicContact CD2-CD 4.4Å; L32-K97 HydrophobicContact CD2-CG 3.84Å
33E95Very high92.2Very high65 Ų6555.3 Ų55.330%0.30427%0.274SS..EExtended strand (participates in β ladder)trans-121.2118.9-179.6-165.464.2-148.600108.8V35 E95 Y96 I98 V121E33-V35 HydrophobicContact CB-CG2 4.21Å; E33-V35 HydrophobicContact CG-CG2 3.65Å; E33-E95 WeakPolarHBondContact O-CA 3.4Å; E33-Y96 PolarHBondContact N-O 3.17Å; E33-Y96 PolarHBondContact O-N 3.44Å; E33-I98 HydrophobicContact CB-CD1 4.2Å; E33-V121 HydrophobicContact CG-CG2 3.95Å
34D94Very high92.4Very high62 Ų6258.2 Ų58.233%0.33229%0.29SS..EExtended strand (participates in β ladder)trans-89.8112.2178.9-172.916000109.3G94 Y160 R164D34-G94 WeakPolarHBondContact OD1-CA 3.32Å; D34-Y160 PolarHBondContact OD1-OH 3.14Å; D34-Y160 PolarHBondContact OD2-OH 2.85Å; D34-R164 IonicContact OD2-CZ 3.49Å; D34-R164 IonicContact OD2-NH1 3.97Å; D34-R164 PolarHBondContact OD2-NH1 3Å; D34-R164 IonicContact OD2-NH2 3.84Å
35V93.9Very high92.8Very high0 Ų051.9 Ų51.90%026%0.263CS..EExtended strand (participates in β ladder)trans-126.5138.4-168.4-172.10000110.3E33 T39 V41 A90 P93 G94 Y96 V121E33-V35 HydrophobicContact CB-CG2 4.21Å; E33-V35 HydrophobicContact CG-CG2 3.65Å; V35-T39 HydrophobicContact CG1-CG2 3.91Å; V35-V41 HydrophobicContact CG1-CG2 4.05Å; V35-V41 HydrophobicContact CG2-CG2 4.03Å; V35-A90 HydrophobicContact CB-CB 4.26Å; V35-A90 HydrophobicContact CG1-CB 3.86Å; V35-P93 WeakPolarHBondContact O-CA 3.27Å; V35-G94 PolarHBondContact N-O 3.15Å; V35-G94 PolarHBondContact O-N 3.42Å; V35-Y96 HydrophobicContact CB-CD2 4.28Å; V35-Y96 HydrophobicContact CG2-CD2 4.5Å; V35-V121 HydrophobicContact CG1-CG1 3.77Å; V35-V121 HydrophobicContact CG2-CG1 4.25Å; V35-V121 HydrophobicContact CG2-CG2 4.4Å
36P94Very high93.3Very high7 Ų756.3 Ų56.35%0.04528%0.282CS..  trans-62.7160.5169.3-15.726.7000112.3T39 K156 D157 Y160P36-T39 WeakPolarHBondContact O-CB 3.37Å; P36-T39 PolarHBondContact O-OG1 3.4Å; P36-T39 VanDerWaalsContact O-OG1 3.12Å; P36-K156 HydrophobicContact CB-CD 4.47Å; P36-K156 HydrophobicContact CB-CG 4.27Å; P36-D157 WeakPolarHBondContact CG-OD1 3.42Å; P36-Y160 HydrophobicContact CB-CG 4.22Å; P36-Y160 HydrophobicContact CG-CD1 4.16Å; P36-Y160 HydrophobicContact CG-CG 4.26Å
37E92.3Very high93.7Very high98 Ų9851 Ų5146%0.45825%0.249SC..THydrogen-bonded Turntrans-51.8158.4171.2-166.1169.8-165.200112.2T39 A90 H91 P93 K156E37-T39 VanDerWaalsContact C-N 3.28Å; E37-T39 PolarHBondContact O-N 3.43Å; E37-T39 VanDerWaalsContact O-N 3.1Å; E37-T39 PolarHBondContact O-OG1 3.37Å; E37-A90 CarbonylContact C-O 3.59Å; E37-H91 WeakPolarHBondContact CG-O 3.16Å; E37-P93 HydrophobicContact CB-CB 4.34Å; E37-P93 HydrophobicContact CB-CG 4.42Å; E37-K156 WeakPolarHBondContact O-CE 3.4Å; E37-K156 PolarHBondContact O-NZ 2.87Å
38D92.8Very high93.8Very high101 Ų10150.1 Ų50.154%0.5425%0.246SC..THydrogen-bonded Turntrans4635.2177-64.2-34.1000117.3A90 K156D38-A90 CarbonylContact C-O 3.59Å; D38-A90 WeakPolarHBondContact CA-O 3.41Å; D38-A90 PolarHBondContact N-O 2.88Å; D38-K156 PolarHBondContact O-NZ 2.85Å
39T93.9Very high93.6Very high7 Ų745 Ų454%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-112.5134.8-174.4-53.30000110.8V35 P36 E37 A90 V121 K156V35-T39 HydrophobicContact CG1-CG2 3.91Å; P36-T39 WeakPolarHBondContact O-CB 3.37Å; P36-T39 PolarHBondContact O-OG1 3.4Å; P36-T39 VanDerWaalsContact O-OG1 3.12Å; E37-T39 VanDerWaalsContact C-N 3.28Å; E37-T39 PolarHBondContact O-N 3.43Å; E37-T39 VanDerWaalsContact O-N 3.1Å; E37-T39 PolarHBondContact O-OG1 3.37Å; T39-A90 PolarHBondContact N-O 2.78Å; T39-A90 VanDerWaalsContact N-O 3.14Å; T39-A90 WeakPolarHBondContact O-CB 3.2Å; T39-A90 PolarHBondContact O-N 2.86Å; T39-V121 HydrophobicContact CG2-CG1 3.7Å; T39-K156 PolarHBondContact OG1-NZ 3.31Å
40L94.7Very high93.2Very high64 Ų6441.9 Ų41.934%0.33522%0.219SC..EExtended strand (participates in β ladder)trans-76.4134.3177.3-75.1167.6000110.4V87 T89 V121 G122 A125 L126L40-V87 HydrophobicContact CD2-CG1 4.38Å; L40-T89 HydrophobicContact CD2-CG2 4.47Å; L40-T89 VanDerWaalsContact CD2-OG1 3.27Å; L40-T89 WeakPolarHBondContact CD2-OG1 3.25Å; L40-V121 CarbonylContact O-C 3.51Å; L40-G122 PolarHBondContact O-N 3.36Å; L40-A125 HydrophobicContact CB-CB 4.29Å; L40-L126 HydrophobicContact CD1-CD2 3.7Å
41V96.2Very high92.6Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-123.5129.1174.2-176.70000108.1V35 V87 F88 I98 I119 A120 V121V35-V41 HydrophobicContact CG1-CG2 4.05Å; V35-V41 HydrophobicContact CG2-CG2 4.03Å; V41-V87 WeakPolarHBondContact O-CA 3.48Å; V41-F88 HydrophobicContact CB-CD1 4.18Å; V41-F88 HydrophobicContact CB-CD2 4.32Å; V41-F88 HydrophobicContact CB-CE1 3.67Å; V41-F88 HydrophobicContact CB-CE2 3.84Å; V41-F88 HydrophobicContact CB-CG 4.49Å; V41-F88 HydrophobicContact CB-CZ 3.49Å; V41-F88 VanDerWaalsContact CB-CZ 3.49Å; V41-F88 HydrophobicContact CG1-CD1 4.46Å; V41-F88 HydrophobicContact CG1-CE1 3.6Å; V41-F88 HydrophobicContact CG1-CE2 4.41Å; V41-F88 HydrophobicContact CG1-CZ 3.58Å; V41-F88 HydrophobicContact CG2-CE2 3.9Å; V41-F88 HydrophobicContact CG2-CZ 3.86Å; V41-F88 PolarHBondContact N-O 3.07Å; V41-F88 PolarHBondContact O-N 2.89Å; V41-I98 HydrophobicContact CG1-CD1 4.36Å; V41-I119 HydrophobicContact CG1-CG2 3.84Å; V41-A120 WeakPolarHBondContact CA-O 3.42Å; V41-V121 HydrophobicContact CG1-CG2 4.3Å; V41-V121 HydrophobicContact CG2-CG1 4.34Å; V41-V121 HydrophobicContact CG2-CG2 4.28Å
42A95.7Very high91.9Very high1 Ų146 Ų461%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-125.2132.8177.200000110F86 V87 A120 A125A42-F86 CarbonylContact C-O 3.58Å; A42-F86 VanDerWaalsContact CA-O 3.32Å; A42-F86 WeakPolarHBondContact CA-O 3.48Å; A42-V87 HydrophobicContact CB-CG2 3.97Å; A42-A120 PolarHBondContact N-O 2.78Å; A42-A120 PolarHBondContact O-N 2.87Å; A42-A125 HydrophobicContact CB-CB 3.82Å
43G95Very high91.1Very high0 Ų051.2 Ų51.20%027%0.271CS..EExtended strand (participates in β ladder)trans-118.612517400000111.5R85 F86 D118G43-R85 CarbonylContact O-C 3.56Å; G43-R85 VanDerWaalsContact O-CA 3.29Å; G43-R85 WeakPolarHBondContact O-CA 3.39Å; G43-F86 PolarHBondContact N-O 3.04Å; G43-F86 VanDerWaalsContact O-CD1 3.3Å; G43-F86 WeakPolarHBondContact O-CD1 2.98Å; G43-F86 PolarHBondContact O-N 3.39Å; G43-D118 CarbonylContact C-O 3.56Å; G43-D118 VanDerWaalsContact CA-O 3.28Å; G43-D118 WeakPolarHBondContact CA-O 3.39Å
44N94.6Very high90.5Very high64 Ų6454.3 Ų54.334%0.34229%0.285SS..EExtended strand (participates in β ladder)trans-95.5133.1168.9-61.3-50.5000108.6R85 L117 D118N44-R85 WeakPolarHBondContact OD1-CD 3.37Å; N44-R85 VanDerWaalsContact OD1-CG 3.3Å; N44-R85 WeakPolarHBondContact OD1-CG 3.31Å; N44-L117 WeakPolarHBondContact O-CA 3.47Å; N44-D118 HydrophobicContact CB-CB 4.43Å; N44-D118 PolarHBondContact N-O 2.97Å; N44-D118 PolarHBondContact O-N 3.37Å
45Y93.1Very high90.2Very high2 Ų253.7 Ų53.71%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-137148.9-179.871-86.8000112V63 Y80 S81 E83 G84 F86 H116Y45-V63 HydrophobicContact CD2-CB 4.22Å; Y45-V63 HydrophobicContact CD2-CG1 4.16Å; Y45-V63 HydrophobicContact CD2-CG2 3.92Å; Y45-V63 HydrophobicContact CE2-CB 3.75Å; Y45-V63 HydrophobicContact CE2-CG1 4.12Å; Y45-V63 HydrophobicContact CE2-CG2 3.62Å; Y45-Y80 WeakPolarHBondContact OH-CB 3.39Å; Y45-S81 WeakPolarHBondContact CE2-O 3.43Å; Y45-S81 PolarHBondContact OH-O 2.98Å; Y45-E83 WeakPolarHBondContact O-CA 3.24Å; Y45-G84 WeakPolarHBondContact CD1-O 3.49Å; Y45-G84 WeakPolarHBondContact CE1-O 3.47Å; Y45-G84 PolarHBondContact N-O 3.43Å; Y45-G84 PolarHBondContact O-N 3.4Å; Y45-G84 VanDerWaalsContact O-N 3.17Å; Y45-F86 AromaticContact CD1-CD1 3.88Å; Y45-F86 HydrophobicContact CD1-CD1 3.88Å; Y45-F86 HydrophobicContact CD1-CE1 4.19Å; Y45-F86 HydrophobicContact CE1-CD1 4.29Å; Y45-H116 CarbonylContact C-O 3.54Å; Y45-H116 WeakPolarHBondContact CA-O 3.31Å
46K92.2Very high89.8Confident100 Ų10057.8 Ų57.844%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-139.2123.5174.5-49.7-170.8-173.7-146.90109.9E83 V115 H116K46-E83 VanDerWaalsContact CD-OE1 3.31Å; K46-E83 WeakPolarHBondContact CD-OE1 3.44Å; K46-E83 WeakPolarHBondContact CE-OE1 3.37Å; K46-E83 HydrophobicContact CG-CG 4.03Å; K46-E83 IonicContact NZ-OE1 3.98Å; K46-E83 PolarHBondContact NZ-OE1 3.3Å; K46-V115 WeakPolarHBondContact O-CA 3.34Å; K46-H116 HydrophobicContact CB-CB 4.22Å; K46-H116 PolarHBondContact N-O 3.05Å; K46-H116 PolarHBondContact O-N 3.5Å
47L89.9Confident89.2Confident5 Ų564.4 Ų64.43%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-106128.5179.1-165.762.8000110.5M23 L61 V63 S82 L113 V115M23-L47 HydrophobicContact SD-CD1 4.35Å; L47-L61 HydrophobicContact CD2-CD2 3.29Å; L47-L61 HydrophobicContact CD2-CG 3.6Å; L47-L61 HydrophobicContact CG-CD2 3.74Å; L47-V63 HydrophobicContact CB-CG2 3.94Å; L47-V63 HydrophobicContact CD2-CG2 3.54Å; L47-V63 HydrophobicContact CG-CG2 4.31Å; L47-S82 WeakPolarHBondContact CB-O 3.37Å; L47-S82 PolarHBondContact N-O 2.9Å; L47-L113 HydrophobicContact CD1-CB 3.81Å; L47-L113 HydrophobicContact CD1-CD1 4.25Å; L47-L113 HydrophobicContact CD1-CG 4.49Å; L47-L113 HydrophobicContact CD2-CD1 4.17Å; L47-V115 HydrophobicContact CD1-CB 4.3Å; L47-V115 HydrophobicContact CD1-CG2 3.36Å
48L89.3Confident88.5Confident37 Ų3761.6 Ų61.619%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-122.2131176.1-54.3173000109.3F55 R57 L113 R114L48-F55 HydrophobicContact CB-CB 3.92Å; L48-F55 HydrophobicContact CD1-CB 4.34Å; L48-R57 HydrophobicContact CD2-CB 4.19Å; L48-L113 CarbonylContact O-C 3.57Å; L48-L113 WeakPolarHBondContact O-CA 3.41Å; L48-R114 HydrophobicContact CB-CB 4.33Å; L48-R114 PolarHBondContact N-O 3.46Å; L48-R114 PolarHBondContact O-N 3.32Å
49A87.6Confident87.6Confident16 Ų1665.9 Ų65.913%0.13233%0.328CS..EExtended strand (participates in β ladder)trans-94.4144178.300000110.7K51 F55 E56 L61 L113A49-K51 PolarHBondContact O-N 3.25Å; A49-F55 WeakPolarHBondContact O-CA 3.31Å; A49-E56 PolarHBondContact N-O 2.96Å; A49-E56 PolarHBondContact O-N 2.92Å; A49-L61 HydrophobicContact CB-CD2 4.25Å; A49-L113 HydrophobicContact CB-CD2 3.95Å
50S86Confident86.9Confident41 Ų4171.6 Ų71.629%0.28736%0.358SS..EExtended strand (participates in β ladder)trans-71.6116.4175.4-179.20000111Q112S50-Q112 WeakPolarHBondContact CB-O 3.25Å; S50-Q112 PolarHBondContact N-O 2.89Å
51K82.4Confident86.2Confident132 Ų13269.1 Ų69.157%0.57435%0.345SS*.EExtended strand (participates in β ladder)trans-120.496.3174-168-175.2177.2-175.40109.1A49 K53 H54 E56A49-K51 PolarHBondContact O-N 3.25Å; K51-K53 PolarHBondContact O-N 3.19Å; K51-H54 CarbonylContact C-O 3.55Å; K51-H54 PolarHBondContact N-O 3.27Å; K51-H54 PolarHBondContact O-N 3.44Å; K51-E56 HydrophobicContact CD-CG 4.5Å; K51-E56 WeakPolarHBondContact CD-OE2 3.45Å; K51-E56 IonicContact NZ-OE2 2.78Å; K51-E56 PolarHBondContact NZ-OE2 3.45Å
52G81.2Confident85.8Confident73 Ų7369.7 Ų69.775%0.75335%0.351SS*.THydrogen-bonded Turntrans68-116.7-17400000111.8
53K78.8Confident85.5Confident200 Ų20069.7 Ų69.787%0.8735%0.351SS*.THydrogen-bonded Turntrans-95.4-5.6178.4-67-173.8178.8-178.50114K51K51-K53 PolarHBondContact O-N 3.19Å
54H83.3Confident85.5Confident131 Ų13173.1 Ų73.161%0.60637%0.366SS*.EExtended strand (participates in β ladder)trans-119.6155.2-174.7-58.8103.2000111.3K51K51-H54 CarbonylContact C-O 3.55Å; K51-H54 PolarHBondContact N-O 3.27Å; K51-H54 PolarHBondContact O-N 3.44Å
55F86.3Confident85.5Confident48 Ų4870.1 Ų70.121%0.21135%0.349CS..EExtended strand (participates in β ladder)trans-98.9117.4173.3-72.3-90.7000108.4H22 L48 A49 Q112 R114H22-F55 AromaticContact NE2-CZ 3.58Å; L48-F55 HydrophobicContact CB-CB 3.92Å; L48-F55 HydrophobicContact CD1-CB 4.34Å; A49-F55 WeakPolarHBondContact O-CA 3.31Å; F55-Q112 HydrophobicContact CE1-CB 4.45Å; F55-R114 HydrophobicContact CD1-CB 3.67Å; F55-R114 VanDerWaalsContact CD2-CZ 3.43Å; F55-R114 HydrophobicContact CE1-CB 3.91Å; F55-R114 VanDerWaalsContact CE2-NH2 3.33Å; F55-R114 HydrophobicContact CG-CB 4.22Å
56E85.6Confident85.7Confident86 Ų8672.9 Ų72.940%0.40236%0.362SS..EExtended strand (participates in β ladder)trans-117.6153.5-179-75.4-179.8-154.700110.6A49 K51 S58A49-E56 PolarHBondContact N-O 2.96Å; A49-E56 PolarHBondContact O-N 2.92Å; K51-E56 HydrophobicContact CD-CG 4.5Å; K51-E56 WeakPolarHBondContact CD-OE2 3.45Å; K51-E56 IonicContact NZ-OE2 2.78Å; K51-E56 PolarHBondContact NZ-OE2 3.45Å; E56-S58 PolarHBondContact O-N 3.31Å
57R82.2Confident86Confident146 Ų14668.1 Ų68.155%0.55134%0.341SS*.  trans-73.6123.5174-175.7-173.1-59.7-147.2-10.1109.5L48 E83L48-R57 HydrophobicContact CD2-CB 4.19Å; R57-E83 IonicContact CZ-OE2 2.71Å; R57-E83 IonicContact NH1-OE2 3Å; R57-E83 PolarHBondContact NH1-OE2 2.99Å; R57-E83 IonicContact NH2-OE1 2.7Å; R57-E83 IonicContact NH2-OE2 2.8Å; R57-E83 PolarHBondContact NH2-OE2 2.99Å
58S77.8Confident86.3Confident39 Ų3968.8 Ų68.827%0.27334%0.344SS..  trans-99.6137.1167.7-172.40000110.3E56 D60 S82E56-S58 PolarHBondContact O-N 3.31Å; S58-D60 PolarHBondContact OG-N 3.33Å; S58-S82 VanDerWaalsContact O-CB 3.28Å; S58-S82 WeakPolarHBondContact O-CB 3.27Å; S58-S82 PolarHBondContact O-OG 2.82Å
59K74.5Confident86.6Confident191 Ų19167.8 Ų67.883%0.8334%0.339SS*.SBendtrans-81.7-23.3173.5-74.7-173.3177.4-178.20112.3L61K59-L61 PolarHBondContact O-N 2.92Å
60D77.6Confident87Confident128 Ų12869.2 Ų69.268%0.68435%0.347SS*.SBendtrans-850.5-175.8-54.7-39.4000112.8S58S58-D60 PolarHBondContact OG-N 3.33Å
61L81.5Confident87.4Confident12 Ų1274.5 Ų74.56%0.06336%0.362CS..  trans-100.7120.2-176.5-164.263.7000110.9L47 A49 K59 S82 S102 S104 L113L47-L61 HydrophobicContact CD2-CD2 3.29Å; L47-L61 HydrophobicContact CD2-CG 3.6Å; L47-L61 HydrophobicContact CG-CD2 3.74Å; A49-L61 HydrophobicContact CB-CD2 4.25Å; K59-L61 PolarHBondContact O-N 2.92Å; L61-S82 WeakPolarHBondContact O-CA 3.39Å; L61-S82 WeakPolarHBondContact O-CB 3.28Å; L61-S82 PolarHBondContact O-N 2.66Å; L61-S102 VanDerWaalsContact CD1-OG 3.32Å; L61-S102 WeakPolarHBondContact CD1-OG 3.32Å; L61-S104 WeakPolarHBondContact CD1-OG 3.14Å; L61-L113 HydrophobicContact CD2-CD1 4.29Å; L61-L113 HydrophobicContact CD2-CD2 3.48Å; L61-L113 VanDerWaalsContact CD2-CD2 3.48Å; L61-L113 HydrophobicContact CD2-CG 4.49Å
62G87Confident88Confident11 Ų1174.4 Ų74.411%0.11337%0.368CS..  trans-95.1152.917400000112.7Y80 S102 D103G62-Y80 CarbonylContact C-O 3.57Å; G62-Y80 VanDerWaalsContact CA-O 3.25Å; G62-Y80 WeakPolarHBondContact CA-O 3.46Å; G62-S102 PolarHBondContact O-OG 3.12Å; G62-D103 PolarHBondContact O-N 3.43Å
63V90.6Very high88.7Confident2 Ų276.1 Ų76.11%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-115.8120.3172.9-178.50000108.6Y45 L47 V65 V79 Y80 I100 S101Y45-V63 HydrophobicContact CD2-CB 4.22Å; Y45-V63 HydrophobicContact CD2-CG1 4.16Å; Y45-V63 HydrophobicContact CD2-CG2 3.92Å; Y45-V63 HydrophobicContact CE2-CB 3.75Å; Y45-V63 HydrophobicContact CE2-CG1 4.12Å; Y45-V63 HydrophobicContact CE2-CG2 3.62Å; L47-V63 HydrophobicContact CB-CG2 3.94Å; L47-V63 HydrophobicContact CD2-CG2 3.54Å; L47-V63 HydrophobicContact CG-CG2 4.31Å; V63-V65 HydrophobicContact CG1-CG2 4.03Å; V63-V79 CarbonylContact O-C 3.51Å; V63-V79 WeakPolarHBondContact O-CA 3.48Å; V63-Y80 PolarHBondContact N-O 2.87Å; V63-Y80 PolarHBondContact O-N 2.7Å; V63-I100 HydrophobicContact CG1-CG2 3.57Å; V63-S101 CarbonylContact C-O 3.57Å
64K93.5Very high89.6Confident72 Ų7271.2 Ų71.231%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-85.9124167.3174.6171.4-85.8-179.10109R78 V79 I100 S101K64-R78 WeakPolarHBondContact CA-O 3.46Å; K64-V79 HydrophobicContact CB-CG2 4.15Å; K64-I100 WeakPolarHBondContact O-CA 3.28Å; K64-S101 WeakPolarHBondContact CB-OG 3.38Å; K64-S101 PolarHBondContact N-O 3.42Å; K64-S101 PolarHBondContact O-N 3.48Å
65V95.7Very high90.1Very high0 Ų068.6 Ų68.60%033%0.328CS..EExtended strand (participates in β ladder)trans-111.2123173.3-177.90000108.2V63 V67 L76 D77 R78 Y80 F86 C99V63-V65 HydrophobicContact CG1-CG2 4.03Å; V65-V67 HydrophobicContact CG1-CG2 4.38Å; V65-L76 HydrophobicContact CG1-CD2 4.44Å; V65-D77 WeakPolarHBondContact O-CA 3.3Å; V65-R78 PolarHBondContact N-O 3.39Å; V65-R78 PolarHBondContact O-N 3.16Å; V65-Y80 HydrophobicContact CB-CD2 4.26Å; V65-Y80 HydrophobicContact CB-CE2 4.11Å; V65-Y80 HydrophobicContact CG2-CD2 3.99Å; V65-Y80 HydrophobicContact CG2-CE2 4.26Å; V65-F86 HydrophobicContact CG1-CD1 3.92Å; V65-F86 HydrophobicContact CG1-CD2 4.13Å; V65-F86 HydrophobicContact CG1-CE1 4.05Å; V65-F86 HydrophobicContact CG1-CE2 4.25Å; V65-F86 HydrophobicContact CG1-CG 3.96Å; V65-F86 HydrophobicContact CG1-CZ 4.2Å; V65-F86 HydrophobicContact CG2-CD1 4.03Å; V65-F86 HydrophobicContact CG2-CE1 4.35Å; V65-C99 WeakPolarHBondContact CA-O 3.49Å
66K96.6Very high90.5Very high61 Ų6167.1 Ų67.127%0.26532%0.322SS..EExtended strand (participates in β ladder)trans-121.8123.3176.9-176.5-178.9-179.7-175.50109.8I68 I74 L76 D77 C99K66-I68 HydrophobicContact CD-CD1 4.31Å; K66-I68 HydrophobicContact CD-CG1 4.42Å; K66-I68 HydrophobicContact CG-CG1 4.19Å; K66-I74 HydrophobicContact CG-CG2 4.35Å; K66-L76 CarbonylContact C-O 3.46Å; K66-L76 WeakPolarHBondContact CA-O 3.2Å; K66-D77 HydrophobicContact CG-CB 4.45Å; K66-C99 HydrophobicContact CB-CB 4.28Å; K66-C99 PolarHBondContact N-O 2.94Å; K66-C99 PolarHBondContact O-N 3.02Å
67V97.8Very high91Very high0 Ų066.6 Ų66.60%032%0.323CS..EExtended strand (participates in β ladder)trans-112.4124.6177-1770000108.5V65 L75 L76 F88 Y96 K97 I98V65-V67 HydrophobicContact CG1-CG2 4.38Å; V67-L75 HydrophobicContact CG1-CB 4.47Å; V67-L75 PolarHBondContact O-N 3.16Å; V67-L76 HydrophobicContact CB-CB 3.95Å; V67-L76 HydrophobicContact CG2-CB 3.99Å; V67-L76 HydrophobicContact CG2-CD2 4.12Å; V67-L76 PolarHBondContact N-O 3.36Å; V67-L76 PolarHBondContact O-N 2.89Å; V67-F88 HydrophobicContact CG1-CD1 4.15Å; V67-F88 HydrophobicContact CG1-CD2 4.15Å; V67-F88 HydrophobicContact CG1-CE1 3.85Å; V67-F88 HydrophobicContact CG1-CE2 3.85Å; V67-F88 HydrophobicContact CG1-CG 4.29Å; V67-F88 HydrophobicContact CG1-CZ 3.69Å; V67-F88 HydrophobicContact CG2-CD1 3.92Å; V67-F88 HydrophobicContact CG2-CE1 3.87Å; V67-Y96 HydrophobicContact CG1-CD1 4.23Å; V67-K97 WeakPolarHBondContact CA-O 3.32Å; V67-I98 HydrophobicContact CG1-CG1 4.46Å; V67-I98 HydrophobicContact CG2-CG1 4.41Å
68I97.6Very high91.6Very high19 Ų1967.1 Ų67.110%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-116.7136.4179.4-52.7170.8000107.8K66 Q73 Y96 K97K66-I68 HydrophobicContact CD-CD1 4.31Å; K66-I68 HydrophobicContact CD-CG1 4.42Å; K66-I68 HydrophobicContact CG-CG1 4.19Å; I68-Q73 CarbonylContact C-O 3.6Å; I68-Q73 WeakPolarHBondContact CA-O 3.43Å; I68-Y96 CarbonylContact O-C 3.6Å; I68-Y96 WeakPolarHBondContact O-CA 3.3Å; I68-K97 HydrophobicContact CB-CB 4.25Å; I68-K97 HydrophobicContact CD1-CD 4.31Å; I68-K97 PolarHBondContact N-O 2.81Å; I68-K97 PolarHBondContact O-N 2.77Å
69D96Very high92.3Very high15 Ų1568.5 Ų68.58%0.0833%0.331CS..  trans-85.6174.9179.783.4-2.1000112.9Y71 D72 Q73 R92 Y96D69-Y71 PolarHBondContact O-N 3.33Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.23Å; D69-Y71 PolarHBondContact OD1-N 3.5Å; D69-D72 PolarHBondContact O-N 2.96Å; D69-D72 VanDerWaalsContact O-N 3.08Å; D69-D72 PolarHBondContact OD1-N 2.87Å; D69-Q73 PolarHBondContact N-O 2.93Å; D69-Q73 WeakPolarHBondContact OD1-CB 3.49Å; D69-Q73 PolarHBondContact OD1-N 3.16Å; D69-R92 IonicContact OD2-CZ 3.35Å; D69-R92 IonicContact OD2-NE 3.51Å; D69-R92 IonicContact OD2-NH2 2.61Å; D69-R92 PolarHBondContact OD2-NH2 3.37Å; D69-Y96 HydrophobicContact CB-CD1 4.05Å; D69-Y96 HydrophobicContact CB-CE1 3.56Å
70P95.2Very high93.2Very high46 Ų4662.3 Ų62.330%0.29930%0.303SS..THydrogen-bonded Turntrans-62.4-9.3-178.8-23.232.4000115.6E95 Y96P70-E95 WeakPolarHBondContact CA-O 2.92Å; P70-E95 WeakPolarHBondContact CG-O 3.28Å; P70-Y96 HydrophobicContact CG-CD2 4.43Å; P70-Y96 HydrophobicContact CG-CE2 4.2Å
71Y94.9Very high93.8Very high152 Ų15259.9 Ų59.960%0.59630%0.296SS*.THydrogen-bonded Turntrans-110.520179-66.7-85.4000112.2D69 Q73 R92D69-Y71 PolarHBondContact O-N 3.33Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.23Å; D69-Y71 PolarHBondContact OD1-N 3.5Å; Y71-Q73 PolarHBondContact O-N 2.73Å; Y71-R92 VanDerWaalsContact CD2-CZ 3.44Å
72D94.6Very high94.2Very high131 Ų13159.7 Ų59.770%0.70130%0.296SS*.SBendtrans61.823.9-178.6-67.1-56000114.4D69D69-D72 PolarHBondContact O-N 2.96Å; D69-D72 VanDerWaalsContact O-N 3.08Å; D69-D72 PolarHBondContact OD1-N 2.87Å
73Q96.1Very high94.4Very high109 Ų10962 Ų6251%0.50930%0.304SS..  trans-91.7136.2174.3-56.4-174.7-7.900111.2I68 D69 Y71 L75I68-Q73 CarbonylContact C-O 3.6Å; I68-Q73 WeakPolarHBondContact CA-O 3.43Å; D69-Q73 PolarHBondContact N-O 2.93Å; D69-Q73 WeakPolarHBondContact OD1-CB 3.49Å; D69-Q73 PolarHBondContact OD1-N 3.16Å; Y71-Q73 PolarHBondContact O-N 2.73Å; Q73-L75 PolarHBondContact O-N 2.95Å
74I96.4Very high94.5Very high96 Ų9663.1 Ų63.149%0.49232%0.315SS..EExtended strand (participates in β ladder)trans-80.2112.6179.6-57.5170.5000108.9K66 D77K66-I74 HydrophobicContact CG-CG2 4.35Å; I74-D77 HydrophobicContact CG2-CB 3.83Å
75L94.8Very high94.5Very high77 Ų7764.4 Ų64.440%0.40332%0.318SS..EExtended strand (participates in β ladder)trans-87.8-36.6178-177.264.2000112.1V67 Q73 F88 Y96V67-L75 HydrophobicContact CG1-CB 4.47Å; V67-L75 PolarHBondContact O-N 3.16Å; Q73-L75 PolarHBondContact O-N 2.95Å; L75-F88 HydrophobicContact CD2-CB 4.04Å; L75-F88 HydrophobicContact CD2-CD2 3.6Å; L75-F88 HydrophobicContact CD2-CE2 4.41Å; L75-F88 HydrophobicContact CD2-CG 4.13Å; L75-Y96 HydrophobicContact CD2-CE1 4.34Å
76L95.2Very high94.4Very high16 Ų1664.5 Ų64.58%0.08432%0.319CS..EExtended strand (participates in β ladder)trans-140.9132.9179.5-175.369.2000108.5V65 K66 V67 R78 F86V65-L76 HydrophobicContact CG1-CD2 4.44Å; K66-L76 CarbonylContact C-O 3.46Å; K66-L76 WeakPolarHBondContact CA-O 3.2Å; V67-L76 HydrophobicContact CB-CB 3.95Å; V67-L76 HydrophobicContact CG2-CB 3.99Å; V67-L76 HydrophobicContact CG2-CD2 4.12Å; V67-L76 PolarHBondContact N-O 3.36Å; V67-L76 PolarHBondContact O-N 2.89Å; L76-R78 HydrophobicContact CD1-CB 4.46Å; L76-R78 HydrophobicContact CD1-CG 3.86Å; L76-F86 HydrophobicContact CD2-CB 4.26Å
77D96.1Very high94.3Very high76 Ų7665.2 Ų65.241%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-146.399.4167.9-171.8-17.2000107.1V65 K66 I74V65-D77 WeakPolarHBondContact O-CA 3.3Å; K66-D77 HydrophobicContact CG-CB 4.45Å; I74-D77 HydrophobicContact CG2-CB 3.83Å
78R94.9Very high94.2Very high157 Ų15765.8 Ų65.859%0.59233%0.331SS*.EExtended strand (participates in β ladder)trans-144.9147.2-174.8-65.9-171.7-172.8171.32.8111.1K64 V65 L76 Y80K64-R78 WeakPolarHBondContact CA-O 3.46Å; V65-R78 PolarHBondContact N-O 3.39Å; V65-R78 PolarHBondContact O-N 3.16Å; L76-R78 HydrophobicContact CD1-CB 4.46Å; L76-R78 HydrophobicContact CD1-CG 3.86Å; R78-Y80 HydrophobicContact CB-CD2 4.33Å; R78-Y80 HydrophobicContact CB-CE2 3.63Å
79V92.9Very high94.1Very high67 Ų6767.3 Ų67.341%0.40634%0.341SS..EExtended strand (participates in β ladder)trans-95.7134.2171.6-179.40000109.1V63 K64 D103V63-V79 CarbonylContact O-C 3.51Å; V63-V79 WeakPolarHBondContact O-CA 3.48Å; K64-V79 HydrophobicContact CB-CG2 4.15Å; V79-D103 HydrophobicContact CG1-CB 3.67Å; V79-D103 HydrophobicContact CG2-CB 4.31Å
80Y92.2Very high94.1Very high61 Ų6166.6 Ų66.624%0.23934%0.337CS..EExtended strand (participates in β ladder)trans-127171.5179-61-89.4000111.1Y45 G62 V63 V65 R78 F86Y45-Y80 WeakPolarHBondContact OH-CB 3.39Å; G62-Y80 CarbonylContact C-O 3.57Å; G62-Y80 VanDerWaalsContact CA-O 3.25Å; G62-Y80 WeakPolarHBondContact CA-O 3.46Å; V63-Y80 PolarHBondContact N-O 2.87Å; V63-Y80 PolarHBondContact O-N 2.7Å; V65-Y80 HydrophobicContact CB-CD2 4.26Å; V65-Y80 HydrophobicContact CB-CE2 4.11Å; V65-Y80 HydrophobicContact CG2-CD2 3.99Å; V65-Y80 HydrophobicContact CG2-CE2 4.26Å; R78-Y80 HydrophobicContact CB-CD2 4.33Å; R78-Y80 HydrophobicContact CB-CE2 3.63Å; Y80-F86 HydrophobicContact CE2-CB 4.43Å
81S91.4Very high94Very high77 Ų7769.7 Ų69.754%0.53835%0.347SS..  trans-64.8171.2172.647.20000112.7Y45 E83Y45-S81 WeakPolarHBondContact CE2-O 3.43Å; Y45-S81 PolarHBondContact OH-O 2.98Å; S81-E83 PolarHBondContact O-N 2.81Å; S81-E83 VanDerWaalsContact O-N 3.13Å; S81-E83 PolarHBondContact OG-O 2.86Å
82S88.4Confident93.9Very high9 Ų966 Ų666%0.06333%0.332CS..SBendtrans-60.1-20.1179.853.20000115.9L47 S58 L61L47-S82 WeakPolarHBondContact CB-O 3.37Å; L47-S82 PolarHBondContact N-O 2.9Å; S58-S82 VanDerWaalsContact O-CB 3.28Å; S58-S82 WeakPolarHBondContact O-CB 3.27Å; S58-S82 PolarHBondContact O-OG 2.82Å; L61-S82 WeakPolarHBondContact O-CA 3.39Å; L61-S82 WeakPolarHBondContact O-CB 3.28Å; L61-S82 PolarHBondContact O-N 2.66Å
83E91.7Very high93.9Very high60 Ų6062.7 Ų62.728%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-134.7142.7169.6170172.5-147.300108.6Y45 K46 R57 S81Y45-E83 WeakPolarHBondContact O-CA 3.24Å; K46-E83 VanDerWaalsContact CD-OE1 3.31Å; K46-E83 WeakPolarHBondContact CD-OE1 3.44Å; K46-E83 WeakPolarHBondContact CE-OE1 3.37Å; K46-E83 HydrophobicContact CG-CG 4.03Å; K46-E83 IonicContact NZ-OE1 3.98Å; K46-E83 PolarHBondContact NZ-OE1 3.3Å; R57-E83 IonicContact CZ-OE2 2.71Å; R57-E83 IonicContact NH1-OE2 3Å; R57-E83 PolarHBondContact NH1-OE2 2.99Å; R57-E83 IonicContact NH2-OE1 2.7Å; R57-E83 IonicContact NH2-OE2 2.8Å; R57-E83 PolarHBondContact NH2-OE2 2.99Å; S81-E83 PolarHBondContact O-N 2.81Å; S81-E83 VanDerWaalsContact O-N 3.13Å; S81-E83 PolarHBondContact OG-O 2.86Å
84G92.5Very high93.8Very high25 Ų2558 Ų5826%0.25830%0.299SS..EExtended strand (participates in β ladder)trans176.8-172.3179.200000113.5Y45Y45-G84 WeakPolarHBondContact CD1-O 3.49Å; Y45-G84 WeakPolarHBondContact CE1-O 3.47Å; Y45-G84 PolarHBondContact N-O 3.43Å; Y45-G84 PolarHBondContact O-N 3.4Å; Y45-G84 VanDerWaalsContact O-N 3.17Å
85R93.3Very high93.7Very high98 Ų9858.3 Ų58.337%0.3730%0.298SS..EExtended strand (participates in β ladder)trans-134.4129.7178.5-178.1177.9-176.7-1681109.2G43 N44 V87 A125G43-R85 CarbonylContact O-C 3.56Å; G43-R85 VanDerWaalsContact O-CA 3.29Å; G43-R85 WeakPolarHBondContact O-CA 3.39Å; N44-R85 WeakPolarHBondContact OD1-CD 3.37Å; N44-R85 VanDerWaalsContact OD1-CG 3.3Å; N44-R85 WeakPolarHBondContact OD1-CG 3.31Å; R85-V87 HydrophobicContact CG-CG2 4.25Å; R85-A125 PolarHBondContact NH2-O 2.84Å
86F94.5Very high93.9Very high2 Ų254.9 Ų54.91%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-109.3148.916962.3-91.1000109.6A42 G43 Y45 V65 L76 Y80 F88 I98 L117A42-F86 CarbonylContact C-O 3.58Å; A42-F86 VanDerWaalsContact CA-O 3.32Å; A42-F86 WeakPolarHBondContact CA-O 3.48Å; G43-F86 PolarHBondContact N-O 3.04Å; G43-F86 VanDerWaalsContact O-CD1 3.3Å; G43-F86 WeakPolarHBondContact O-CD1 2.98Å; G43-F86 PolarHBondContact O-N 3.39Å; Y45-F86 AromaticContact CD1-CD1 3.88Å; Y45-F86 HydrophobicContact CD1-CD1 3.88Å; Y45-F86 HydrophobicContact CD1-CE1 4.19Å; Y45-F86 HydrophobicContact CE1-CD1 4.29Å; V65-F86 HydrophobicContact CG1-CD1 3.92Å; V65-F86 HydrophobicContact CG1-CD2 4.13Å; V65-F86 HydrophobicContact CG1-CE1 4.05Å; V65-F86 HydrophobicContact CG1-CE2 4.25Å; V65-F86 HydrophobicContact CG1-CG 3.96Å; V65-F86 HydrophobicContact CG1-CZ 4.2Å; V65-F86 HydrophobicContact CG2-CD1 4.03Å; V65-F86 HydrophobicContact CG2-CE1 4.35Å; L76-F86 HydrophobicContact CD2-CB 4.26Å; Y80-F86 HydrophobicContact CE2-CB 4.43Å; F86-F88 HydrophobicContact CD2-CD1 4.3Å; F86-F88 HydrophobicContact CE2-CD1 4.46Å; F86-F88 HydrophobicContact CE2-CE1 4.22Å; F86-I98 HydrophobicContact CE2-CG2 3.92Å; F86-I98 HydrophobicContact CZ-CG2 3.68Å; F86-L117 HydrophobicContact CE1-CD1 4.16Å; F86-L117 HydrophobicContact CZ-CD1 4.36Å
87V95Very high94Very high76 Ų7657.8 Ų57.846%0.46129%0.292SS..EExtended strand (participates in β ladder)trans-139136.8179-1760000108.5L40 V41 A42 R85L40-V87 HydrophobicContact CD2-CG1 4.38Å; V41-V87 WeakPolarHBondContact O-CA 3.48Å; A42-V87 HydrophobicContact CB-CG2 3.97Å; R85-V87 HydrophobicContact CG-CG2 4.25Å
88F95.2Very high94Very high13 Ų1354.2 Ų54.26%0.05727%0.272CS..EExtended strand (participates in β ladder)trans-144.1161.917167.7-88.6000110.2V41 V67 L75 F86 Y96 I98V41-F88 HydrophobicContact CB-CD1 4.18Å; V41-F88 HydrophobicContact CB-CD2 4.32Å; V41-F88 HydrophobicContact CB-CE1 3.67Å; V41-F88 HydrophobicContact CB-CE2 3.84Å; V41-F88 HydrophobicContact CB-CG 4.49Å; V41-F88 HydrophobicContact CB-CZ 3.49Å; V41-F88 VanDerWaalsContact CB-CZ 3.49Å; V41-F88 HydrophobicContact CG1-CD1 4.46Å; V41-F88 HydrophobicContact CG1-CE1 3.6Å; V41-F88 HydrophobicContact CG1-CE2 4.41Å; V41-F88 HydrophobicContact CG1-CZ 3.58Å; V41-F88 HydrophobicContact CG2-CE2 3.9Å; V41-F88 HydrophobicContact CG2-CZ 3.86Å; V41-F88 PolarHBondContact N-O 3.07Å; V41-F88 PolarHBondContact O-N 2.89Å; V67-F88 HydrophobicContact CG1-CD1 4.15Å; V67-F88 HydrophobicContact CG1-CD2 4.15Å; V67-F88 HydrophobicContact CG1-CE1 3.85Å; V67-F88 HydrophobicContact CG1-CE2 3.85Å; V67-F88 HydrophobicContact CG1-CG 4.29Å; V67-F88 HydrophobicContact CG1-CZ 3.69Å; V67-F88 HydrophobicContact CG2-CD1 3.92Å; V67-F88 HydrophobicContact CG2-CE1 3.87Å; L75-F88 HydrophobicContact CD2-CB 4.04Å; L75-F88 HydrophobicContact CD2-CD2 3.6Å; L75-F88 HydrophobicContact CD2-CE2 4.41Å; L75-F88 HydrophobicContact CD2-CG 4.13Å; F86-F88 HydrophobicContact CD2-CD1 4.3Å; F86-F88 HydrophobicContact CE2-CD1 4.46Å; F86-F88 HydrophobicContact CE2-CE1 4.22Å; F88-Y96 AromaticContact CE2-CD1 3.98Å; F88-Y96 HydrophobicContact CE2-CD1 3.98Å; F88-Y96 HydrophobicContact CE2-CE1 4.4Å; F88-Y96 HydrophobicContact CE2-CG 4.28Å; F88-I98 HydrophobicContact CE1-CD1 4.09Å; F88-I98 HydrophobicContact CE1-CG1 4.19Å; F88-I98 HydrophobicContact CZ-CD1 4.07Å; F88-I98 HydrophobicContact CZ-CG1 4.19Å
89T95.1Very high94.1Very high50 Ų5046.9 Ų46.931%0.30725%0.245SC..EExtended strand (participates in β ladder)trans-106.8123.7173.9-49.90000108.8L40 H91L40-T89 HydrophobicContact CD2-CG2 4.47Å; L40-T89 VanDerWaalsContact CD2-OG1 3.27Å; L40-T89 WeakPolarHBondContact CD2-OG1 3.25Å; T89-H91 PolarHBondContact O-CE1 2.89Å; T89-H91 PolarHBondContact O-N 2.85Å; T89-H91 PolarHBondContact O-ND1 3.08Å
90A94.9Very high94.1Very high0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-70.3111.4168.500000108.2V35 E37 D38 T39 Y96V35-A90 HydrophobicContact CB-CB 4.26Å; V35-A90 HydrophobicContact CG1-CB 3.86Å; E37-A90 CarbonylContact C-O 3.59Å; D38-A90 CarbonylContact C-O 3.59Å; D38-A90 WeakPolarHBondContact CA-O 3.41Å; D38-A90 PolarHBondContact N-O 2.88Å; T39-A90 PolarHBondContact N-O 2.78Å; T39-A90 VanDerWaalsContact N-O 3.14Å; T39-A90 WeakPolarHBondContact O-CB 3.2Å; T39-A90 PolarHBondContact O-N 2.86Å; A90-Y96 WeakPolarHBondContact CA-OH 3.46Å; A90-Y96 HydrophobicContact CB-CD2 4.22Å; A90-Y96 HydrophobicContact CB-CE1 4.44Å; A90-Y96 HydrophobicContact CB-CE2 3.47Å; A90-Y96 VanDerWaalsContact CB-CE2 3.47Å
91H94.3Very high94.1Very high112 Ų11241.9 Ų41.952%0.51922%0.222SC..  trans-92.7-7179-66.378000112.7E37 T89 Y96E37-H91 WeakPolarHBondContact CG-O 3.16Å; T89-H91 PolarHBondContact O-CE1 2.89Å; T89-H91 PolarHBondContact O-N 2.85Å; T89-H91 PolarHBondContact O-ND1 3.08Å; H91-Y96 PolarHBondContact N-OH 2.86Å
92R93.1Very high93.9Very high75 Ų7539 Ų3928%0.28320%0.202SC..SBendtrans-136.5145.6-179.2-68.7-170.3-83.2-160.2-16.3108.3D69 Y71 Y96D69-R92 IonicContact OD2-CZ 3.35Å; D69-R92 IonicContact OD2-NE 3.51Å; D69-R92 IonicContact OD2-NH2 2.61Å; D69-R92 PolarHBondContact OD2-NH2 3.37Å; Y71-R92 VanDerWaalsContact CD2-CZ 3.44Å; R92-Y96 PolarHBondContact N-OH 3.13Å; R92-Y96 VanDerWaalsContact O-CE2 3.26Å; R92-Y96 WeakPolarHBondContact O-CE2 3.46Å; R92-Y96 PolarHBondContact O-OH 3.19Å
93P93.6Very high93.7Very high60 Ų6042.6 Ų42.639%0.3922%0.22SC..SBendtrans-75142.3177.130.4-31.7000110.8V35 E37 Y160V35-P93 WeakPolarHBondContact O-CA 3.27Å; E37-P93 HydrophobicContact CB-CB 4.34Å; E37-P93 HydrophobicContact CB-CG 4.42Å; P93-Y160 HydrophobicContact CB-CD2 4.11Å; P93-Y160 HydrophobicContact CB-CE2 3.75Å
94G93.5Very high92.7Very high11 Ų1140.4 Ų40.411%0.11321%0.212CC..EExtended strand (participates in β ladder)trans134.9-163.7170.700000114D34 V35 Y96D34-G94 WeakPolarHBondContact OD1-CA 3.32Å; V35-G94 PolarHBondContact N-O 3.15Å; V35-G94 PolarHBondContact O-N 3.42Å; G94-Y96 WeakPolarHBondContact O-CD2 3.3Å; G94-Y96 PolarHBondContact O-N 2.87Å
95E95.9Very high91.2Very high103 Ų10341.7 Ų41.748%0.48123%0.225SC..EExtended strand (participates in β ladder)trans-79.8113.9-175-169.7179.694.300112.2L32 E33 P70L32-E95 HydrophobicContact CB-CG 3.81Å; L32-E95 WeakPolarHBondContact CD1-OE1 3.29Å; L32-E95 HydrophobicContact CD2-CG 4.13Å; L32-E95 WeakPolarHBondContact CD2-OE1 3.39Å; L32-E95 HydrophobicContact CG-CG 4.39Å; E33-E95 WeakPolarHBondContact O-CA 3.4Å; P70-E95 WeakPolarHBondContact CA-O 2.92Å; P70-E95 WeakPolarHBondContact CG-O 3.28Å
96Y97.5Very high89.4Confident4 Ų440.7 Ų40.72%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-93.8135.9170-75.9-96.1000110.3L32 E33 V35 V67 I68 D69 P70 L75 F88 A90 H91 R92 G94L32-Y96 WeakPolarHBondContact CA-O 3.41Å; E33-Y96 PolarHBondContact N-O 3.17Å; E33-Y96 PolarHBondContact O-N 3.44Å; V35-Y96 HydrophobicContact CB-CD2 4.28Å; V35-Y96 HydrophobicContact CG2-CD2 4.5Å; V67-Y96 HydrophobicContact CG1-CD1 4.23Å; I68-Y96 CarbonylContact O-C 3.6Å; I68-Y96 WeakPolarHBondContact O-CA 3.3Å; D69-Y96 HydrophobicContact CB-CD1 4.05Å; D69-Y96 HydrophobicContact CB-CE1 3.56Å; P70-Y96 HydrophobicContact CG-CD2 4.43Å; P70-Y96 HydrophobicContact CG-CE2 4.2Å; L75-Y96 HydrophobicContact CD2-CE1 4.34Å; F88-Y96 AromaticContact CE2-CD1 3.98Å; F88-Y96 HydrophobicContact CE2-CD1 3.98Å; F88-Y96 HydrophobicContact CE2-CE1 4.4Å; F88-Y96 HydrophobicContact CE2-CG 4.28Å; A90-Y96 WeakPolarHBondContact CA-OH 3.46Å; A90-Y96 HydrophobicContact CB-CD2 4.22Å; A90-Y96 HydrophobicContact CB-CE1 4.44Å; A90-Y96 HydrophobicContact CB-CE2 3.47Å; A90-Y96 VanDerWaalsContact CB-CE2 3.47Å; H91-Y96 PolarHBondContact N-OH 2.86Å; R92-Y96 PolarHBondContact N-OH 3.13Å; R92-Y96 VanDerWaalsContact O-CE2 3.26Å; R92-Y96 WeakPolarHBondContact O-CE2 3.46Å; R92-Y96 PolarHBondContact O-OH 3.19Å; G94-Y96 WeakPolarHBondContact O-CD2 3.3Å; G94-Y96 PolarHBondContact O-N 2.87Å
97K97.5Very high87.3Confident78 Ų7852.6 Ų52.634%0.33928%0.283SS..EExtended strand (participates in β ladder)trans-102.2110.8177-176.8-177.3-71.81600110C30 F31 L32 V67 I68C30-K97 HydrophobicContact CB-CD 4.07Å; C30-K97 HydrophobicContact CB-CG 3.72Å; F31-K97 WeakPolarHBondContact O-CA 3.41Å; L32-K97 HydrophobicContact CD2-CB 3.82Å; L32-K97 HydrophobicContact CD2-CD 4.4Å; L32-K97 HydrophobicContact CD2-CG 3.84Å; V67-K97 WeakPolarHBondContact CA-O 3.32Å; I68-K97 HydrophobicContact CB-CB 4.25Å; I68-K97 HydrophobicContact CD1-CD 4.31Å; I68-K97 PolarHBondContact N-O 2.81Å; I68-K97 PolarHBondContact O-N 2.77Å
98I96.9Very high85.4Confident0 Ų054.6 Ų54.60%029%0.285CS..EExtended strand (participates in β ladder)trans-101.9102.9-180-58.1163.2000108.2C30 F31 E33 V41 V67 F86 F88 I119C30-I98 CarbonylContact C-O 3.53Å; C30-I98 WeakPolarHBondContact CA-O 3.46Å; F31-I98 PolarHBondContact N-O 3.25Å; F31-I98 PolarHBondContact O-N 2.89Å; E33-I98 HydrophobicContact CB-CD1 4.2Å; V41-I98 HydrophobicContact CG1-CD1 4.36Å; V67-I98 HydrophobicContact CG1-CG1 4.46Å; V67-I98 HydrophobicContact CG2-CG1 4.41Å; F86-I98 HydrophobicContact CE2-CG2 3.92Å; F86-I98 HydrophobicContact CZ-CG2 3.68Å; F88-I98 HydrophobicContact CE1-CD1 4.09Å; F88-I98 HydrophobicContact CE1-CG1 4.19Å; F88-I98 HydrophobicContact CZ-CD1 4.07Å; F88-I98 HydrophobicContact CZ-CG1 4.19Å; I98-I119 HydrophobicContact CD1-CD1 3.96Å; I98-I119 HydrophobicContact CD1-CG2 4.24Å
99C95.9Very high83.7Confident4 Ų457.6 Ų57.63%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-100138-179.5-59.10000111.6R29 C30 V65 K66R29-C99 CarbonylContact O-C 3.51Å; R29-C99 WeakPolarHBondContact O-CA 3.14Å; C30-C99 HydrophobicContact CB-CB 4.11Å; C30-C99 WeakPolarHBondContact CB-SG 3.28Å; C30-C99 WeakPolarHBondContact SG-CB 3.49Å; C30-C99 CovalentContact SG-SG 2.05Å; C30-C99 PolarHBondContact SG-SG 2.79Å; V65-C99 WeakPolarHBondContact CA-O 3.49Å; K66-C99 HydrophobicContact CB-CB 4.28Å; K66-C99 PolarHBondContact N-O 2.94Å; K66-C99 PolarHBondContact O-N 3.02Å
100I94.2Very high82.3Confident1 Ų158.1 Ų58.11%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-122.9129.2176.2-62.3174.4000108M23 E28 R29 V63 K64 L117M23-I100 HydrophobicContact CE-CG2 4.2Å; M23-I100 WeakPolarHBondContact CE-O 3.5Å; E28-I100 WeakPolarHBondContact CA-O 3.35Å; R29-I100 PolarHBondContact N-O 2.7Å; R29-I100 PolarHBondContact O-N 2.71Å; V63-I100 HydrophobicContact CG1-CG2 3.57Å; K64-I100 WeakPolarHBondContact O-CA 3.28Å; I100-L117 HydrophobicContact CD1-CB 4.39Å; I100-L117 HydrophobicContact CD1-CD1 3.52Å; I100-L117 HydrophobicContact CD1-CD2 3.47Å; I100-L117 VanDerWaalsContact CD1-CD2 3.47Å; I100-L117 HydrophobicContact CD1-CG 3.96Å
101S91.5Very high81.4Confident22 Ų2259.6 Ų59.615%0.15435%0.345CS..EExtended strand (participates in β ladder)trans-138.7160.6173.753.60000110.5V63 K64V63-S101 CarbonylContact C-O 3.57Å; K64-S101 WeakPolarHBondContact CB-OG 3.38Å; K64-S101 PolarHBondContact N-O 3.42Å; K64-S101 PolarHBondContact O-N 3.48Å
102S88.2Confident81Confident15 Ų1559 Ų5911%0.10534%0.343CS..EExtended strand (participates in β ladder)trans-81.8142.9172.6-158.50000110.8E25 L61 G62 S104E25-S102 WeakPolarHBondContact O-CB 3.49Å; L61-S102 VanDerWaalsContact CD1-OG 3.32Å; L61-S102 WeakPolarHBondContact CD1-OG 3.32Å; G62-S102 PolarHBondContact O-OG 3.12Å; S102-S104 PolarHBondContact OG-OG 3.33Å; S102-S104 VanDerWaalsContact OG-OG 3.04Å
103D84.3Confident80.8Confident85 Ų8555.4 Ų55.446%0.45533%0.329SS..  trans-85-11.5173.6-171.155.6000112.7G62 V79 G105G62-D103 PolarHBondContact O-N 3.43Å; V79-D103 HydrophobicContact CG1-CB 3.67Å; V79-D103 HydrophobicContact CG2-CB 4.31Å; D103-G105 PolarHBondContact O-N 3.09Å; D103-G105 VanDerWaalsContact O-N 3.17Å
104S70.1Confident80.6Confident15 Ų1555.3 Ų55.311%0.10532%0.321CS..SBendtrans-63.1121.9177.752.20000110.5L61 S102L61-S104 WeakPolarHBondContact CD1-OG 3.14Å; S102-S104 PolarHBondContact OG-OG 3.33Å; S102-S104 VanDerWaalsContact OG-OG 3.04Å
105G60.2Low80.6Confident52 Ų5254.9 Ų54.954%0.53632%0.316SS..  trans-53.3147.7160.200000109.1D103 W107D103-G105 PolarHBondContact O-N 3.09Å; D103-G105 VanDerWaalsContact O-N 3.17Å; G105-W107 PolarHBondContact O-N 3.41Å
106A56Low80.4Confident76 Ų7652.8 Ų52.863%0.62831%0.306SS*.THydrogen-bonded Turntrans-56.49.2-175.600000116.2T26T26-A106 HydrophobicContact CG2-CB 4.23Å
107W50.4Low80.3Confident253 Ų25354.2 Ų54.296%0.95831%0.314SS*.THydrogen-bonded Turntrans-73.3-22.4178-118.755.4000113.9G105 G109G105-W107 PolarHBondContact O-N 3.41Å; W107-G109 PolarHBondContact O-N 2.64Å
108F54.5Low80.1Confident118 Ų11855.1 Ų55.152%0.51832%0.323SS..SBendtrans-80.342.3177.2-68.5-82.7000113.1G110F108-G110 VanDerWaalsContact C-N 3.26Å; F108-G110 PolarHBondContact O-N 3.28Å
109G59.5Low80Confident75 Ų7557 Ų5777%0.77333%0.332SS*.THydrogen-bonded Turntrans67.612.8160.900000117.1W107 S111W107-G109 PolarHBondContact O-N 2.64Å; G109-S111 VanDerWaalsContact C-N 3.28Å; G109-S111 PolarHBondContact O-N 3.42Å
110G65.4Low79.9Confident61 Ų6157.7 Ų57.763%0.62934%0.338SS*.THydrogen-bonded Turntrans64.634.2174.500000112.9E25 F108E25-G110 PolarHBondContact OE2-N 2.94Å; F108-G110 VanDerWaalsContact C-N 3.26Å; F108-G110 PolarHBondContact O-N 3.28Å
111S76.8Confident79.9Confident31 Ų3159.3 Ų59.322%0.21735%0.348CS..  trans-67.7147.7-179.370.70000111.2E25 G109E25-S111 WeakPolarHBondContact OE1-CB 3.33Å; E25-S111 PolarHBondContact OE1-N 2.9Å; E25-S111 PolarHBondContact OE1-OG 3.44Å; G109-S111 VanDerWaalsContact C-N 3.28Å; G109-S111 PolarHBondContact O-N 3.42Å
112Q86Confident79.9Confident100 Ų10058.7 Ų58.747%0.46735%0.346SS..EExtended strand (participates in β ladder)trans-74.3134.6169.6-74.9-165.3-46.100109.6S50 F55S50-Q112 WeakPolarHBondContact CB-O 3.25Å; S50-Q112 PolarHBondContact N-O 2.89Å; F55-Q112 HydrophobicContact CE1-CB 4.45Å
113L88.8Confident79.9Confident0 Ų059 Ų590%035%0.346CS..EExtended strand (participates in β ladder)trans-104.4136.8174.6-56.1177000109.3H22 M23 E25 L47 L48 A49 L61H22-L113 CarbonylContact C-O 3.55Å; H22-L113 VanDerWaalsContact CA-O 3.23Å; H22-L113 WeakPolarHBondContact CA-O 3.44Å; M23-L113 HydrophobicContact CG-CB 3.73Å; M23-L113 HydrophobicContact CG-CD1 4.25Å; M23-L113 PolarHBondContact N-O 2.9Å; M23-L113 WeakPolarHBondContact O-CB 3.44Å; M23-L113 PolarHBondContact O-N 3.39Å; E25-L113 HydrophobicContact CG-CD1 4.16Å; E25-L113 HydrophobicContact CG-CG 4.38Å; L47-L113 HydrophobicContact CD1-CB 3.81Å; L47-L113 HydrophobicContact CD1-CD1 4.25Å; L47-L113 HydrophobicContact CD1-CG 4.49Å; L47-L113 HydrophobicContact CD2-CD1 4.17Å; L48-L113 CarbonylContact O-C 3.57Å; L48-L113 WeakPolarHBondContact O-CA 3.41Å; A49-L113 HydrophobicContact CB-CD2 3.95Å; L61-L113 HydrophobicContact CD2-CD1 4.29Å; L61-L113 HydrophobicContact CD2-CD2 3.48Å; L61-L113 VanDerWaalsContact CD2-CD2 3.48Å; L61-L113 HydrophobicContact CD2-CG 4.49Å
114R90.3Very high80.1Confident57 Ų5761.5 Ų61.522%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-103.3123.1168.9178.5-179.5-69.5161.5-1.5108.7F20 F21 L48 F55F20-R114 HydrophobicContact CB-CG 3.87Å; F20-R114 HydrophobicContact CD2-CG 3.68Å; F20-R114 HydrophobicContact CE2-CG 4.49Å; F20-R114 HydrophobicContact CG-CG 3.89Å; F21-R114 WeakPolarHBondContact O-CA 3.32Å; L48-R114 HydrophobicContact CB-CB 4.33Å; L48-R114 PolarHBondContact N-O 3.46Å; L48-R114 PolarHBondContact O-N 3.32Å; F55-R114 HydrophobicContact CD1-CB 3.67Å; F55-R114 VanDerWaalsContact CD2-CZ 3.43Å; F55-R114 HydrophobicContact CE1-CB 3.91Å; F55-R114 VanDerWaalsContact CE2-NH2 3.33Å; F55-R114 HydrophobicContact CG-CB 4.22Å
115V92.1Very high80.9Confident2 Ų261.1 Ų61.11%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-111.3126.7179.3-171.50000108.6F20 F21 M23 K46 L47F20-V115 WeakPolarHBondContact CA-O 3.27Å; F20-V115 WeakPolarHBondContact CB-O 3.37Å; F21-V115 HydrophobicContact CD1-CB 4.35Å; F21-V115 HydrophobicContact CD2-CB 4.09Å; F21-V115 HydrophobicContact CD2-CG2 4.29Å; F21-V115 HydrophobicContact CE1-CB 3.84Å; F21-V115 HydrophobicContact CE1-CG1 3.87Å; F21-V115 HydrophobicContact CE2-CB 3.57Å; F21-V115 HydrophobicContact CE2-CG1 4.03Å; F21-V115 HydrophobicContact CE2-CG2 3.72Å; F21-V115 HydrophobicContact CG-CB 4.47Å; F21-V115 HydrophobicContact CZ-CB 3.43Å; F21-V115 VanDerWaalsContact CZ-CB 3.43Å; F21-V115 HydrophobicContact CZ-CG1 3.43Å; F21-V115 VanDerWaalsContact CZ-CG1 3.43Å; F21-V115 HydrophobicContact CZ-CG2 4.03Å; F21-V115 PolarHBondContact N-O 3.43Å; F21-V115 VanDerWaalsContact N-O 3.08Å; F21-V115 PolarHBondContact O-N 2.92Å; M23-V115 HydrophobicContact CE-CG2 4.11Å; M23-V115 HydrophobicContact CG-CG2 3.68Å; M23-V115 HydrophobicContact SD-CG2 3.24Å; M23-V115 WeakPolarHBondContact SD-CG2 3.15Å; K46-V115 WeakPolarHBondContact O-CA 3.34Å; L47-V115 HydrophobicContact CD1-CB 4.3Å; L47-V115 HydrophobicContact CD1-CG2 3.36Å
116H93.2Very high82Confident59 Ų5961.2 Ų61.227%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-97.7126.7160.5-62-91000107.2F20 Y45 K46F20-H116 AromaticContact CD1-CE1 3.98Å; Y45-H116 CarbonylContact C-O 3.54Å; Y45-H116 WeakPolarHBondContact CA-O 3.31Å; K46-H116 HydrophobicContact CB-CB 4.22Å; K46-H116 PolarHBondContact N-O 3.05Å; K46-H116 PolarHBondContact O-N 3.5Å
117L93.7Very high83.5Confident34 Ų3460.6 Ų60.618%0.17833%0.326CS..EExtended strand (participates in β ladder)trans-132.1130.3177.7178.764000108.1F21 F31 N44 F86 I100 I119F21-L117 HydrophobicContact CE1-CB 3.86Å; F21-L117 HydrophobicContact CE1-CD2 4.5Å; F21-L117 HydrophobicContact CZ-CB 4.4Å; F31-L117 HydrophobicContact CD2-CD2 3.46Å; F31-L117 VanDerWaalsContact CD2-CD2 3.46Å; F31-L117 HydrophobicContact CE2-CD2 3.5Å; F31-L117 VanDerWaalsContact CE2-CD2 3.5Å; F31-L117 HydrophobicContact CG-CD2 4.06Å; F31-L117 HydrophobicContact CZ-CD2 4.11Å; N44-L117 WeakPolarHBondContact O-CA 3.47Å; F86-L117 HydrophobicContact CE1-CD1 4.16Å; F86-L117 HydrophobicContact CZ-CD1 4.36Å; I100-L117 HydrophobicContact CD1-CB 4.39Å; I100-L117 HydrophobicContact CD1-CD1 3.52Å; I100-L117 HydrophobicContact CD1-CD2 3.47Å; I100-L117 VanDerWaalsContact CD1-CD2 3.47Å; I100-L117 HydrophobicContact CD1-CG 3.96Å; L117-I119 HydrophobicContact CD1-CG1 4.18Å; L117-I119 HydrophobicContact CD2-CD1 3.84Å; L117-I119 HydrophobicContact CD2-CG1 4.17Å; L117-I119 HydrophobicContact CG-CD1 4.23Å; L117-I119 HydrophobicContact CG-CG1 3.99Å
118D94Very high85Confident98 Ų9850 Ų5052%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-130.4116.5175.7178.326000108G43 N44G43-D118 CarbonylContact C-O 3.56Å; G43-D118 VanDerWaalsContact CA-O 3.28Å; G43-D118 WeakPolarHBondContact CA-O 3.39Å; N44-D118 HydrophobicContact CB-CB 4.43Å; N44-D118 PolarHBondContact N-O 2.97Å; N44-D118 PolarHBondContact O-N 3.37Å
119I94.7Very high86.4Confident39 Ų3951.7 Ų51.720%0.230%0.296CS..EExtended strand (participates in β ladder)trans-108.9122.7-177.5-61166.2000107.2F31 V41 I98 L117 V121F31-I119 HydrophobicContact CB-CD1 4.2Å; V41-I119 HydrophobicContact CG1-CG2 3.84Å; I98-I119 HydrophobicContact CD1-CD1 3.96Å; I98-I119 HydrophobicContact CD1-CG2 4.24Å; L117-I119 HydrophobicContact CD1-CG1 4.18Å; L117-I119 HydrophobicContact CD2-CD1 3.84Å; L117-I119 HydrophobicContact CD2-CG1 4.17Å; L117-I119 HydrophobicContact CG-CD1 4.23Å; L117-I119 HydrophobicContact CG-CG1 3.99Å; I119-V121 HydrophobicContact CG2-CG2 4.43Å
120A94.3Very high87.5Confident18 Ų1854 Ų5415%0.14929%0.286CS..EExtended strand (participates in β ladder)trans-115.2136.9176.300000109.8V41 A42 H124 A125V41-A120 WeakPolarHBondContact CA-O 3.42Å; A42-A120 PolarHBondContact N-O 2.78Å; A42-A120 PolarHBondContact O-N 2.87Å; A120-H124 HydrophobicContact CB-CB 4.06Å; A120-H124 WeakPolarHBondContact CB-O 3.37Å; A120-A125 HydrophobicContact CB-CB 4.5Å
121V94.3Very high88.2Confident35 Ų3552.6 Ų52.621%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-120.5143.8-176.9-178.40000109.1E33 V35 T39 L40 V41 I119 D123 H124E33-V121 HydrophobicContact CG-CG2 3.95Å; V35-V121 HydrophobicContact CG1-CG1 3.77Å; V35-V121 HydrophobicContact CG2-CG1 4.25Å; V35-V121 HydrophobicContact CG2-CG2 4.4Å; T39-V121 HydrophobicContact CG2-CG1 3.7Å; L40-V121 CarbonylContact O-C 3.51Å; V41-V121 HydrophobicContact CG1-CG2 4.3Å; V41-V121 HydrophobicContact CG2-CG1 4.34Å; V41-V121 HydrophobicContact CG2-CG2 4.28Å; I119-V121 HydrophobicContact CG2-CG2 4.43Å; V121-D123 PolarHBondContact O-N 3.28Å; V121-H124 PolarHBondContact O-N 3.04Å
122G91.5Very high88.4Confident10 Ų1052 Ų5210%0.10326%0.261CS..G310 helixtrans68.5-128.4172.900000113.4L40 H124 A125L40-G122 PolarHBondContact O-N 3.36Å; G122-H124 VanDerWaalsContact C-N 3.27Å; G122-H124 PolarHBondContact O-N 2.86Å; G122-A125 WeakPolarHBondContact O-CB 3.1Å; G122-A125 PolarHBondContact O-N 3Å; G122-A125 VanDerWaalsContact O-N 3.09Å
123D87.5Confident88.3Confident20 Ų2052.5 Ų52.511%0.10727%0.271CS..G310 helixtrans-63.1-33.2-18068.6-42.4000112.4V121 A125 L126V121-D123 PolarHBondContact O-N 3.28Å; D123-A125 PolarHBondContact O-N 2.79Å; D123-L126 WeakPolarHBondContact O-CB 3.48Å; D123-L126 PolarHBondContact O-N 2.88Å; D123-L126 VanDerWaalsContact O-N 3.12Å
124H87.9Confident88Confident139 Ų13960.6 Ų60.664%0.64431%0.307SS*.G310 helixtrans-67.3-21.2174.5-64.7-50.9000113.2A120 V121 G122 L126A120-H124 HydrophobicContact CB-CB 4.06Å; A120-H124 WeakPolarHBondContact CB-O 3.37Å; V121-H124 PolarHBondContact O-N 3.04Å; G122-H124 VanDerWaalsContact C-N 3.27Å; G122-H124 PolarHBondContact O-N 2.86Å; H124-L126 VanDerWaalsContact C-N 3.28Å
125A86.8Confident87.7Confident6 Ų661.4 Ų61.45%0.0532%0.315CS..G310 helixtrans-77.4-12.1174.100000112.7L40 A42 R85 A120 G122 D123L40-A125 HydrophobicContact CB-CB 4.29Å; A42-A125 HydrophobicContact CB-CB 3.82Å; R85-A125 PolarHBondContact NH2-O 2.84Å; A120-A125 HydrophobicContact CB-CB 4.5Å; G122-A125 WeakPolarHBondContact O-CB 3.1Å; G122-A125 PolarHBondContact O-N 3Å; G122-A125 VanDerWaalsContact O-N 3.09Å; D123-A125 PolarHBondContact O-N 2.79Å
126L85.3Confident87.4Confident55 Ų5571.9 Ų71.929%0.28835%0.354SS..  trans-87.9133.5-176.4-63.2176.1000112.1L40 D123 H124 Y128 I131L40-L126 HydrophobicContact CD1-CD2 3.7Å; D123-L126 WeakPolarHBondContact O-CB 3.48Å; D123-L126 PolarHBondContact O-N 2.88Å; D123-L126 VanDerWaalsContact O-N 3.12Å; H124-L126 VanDerWaalsContact C-N 3.28Å; L126-Y128 HydrophobicContact CB-CE2 4.25Å; L126-Y128 PolarHBondContact O-N 2.96Å; L126-I131 HydrophobicContact CB-CD1 4.42Å
127N85.7Confident86.9Confident63 Ų6371 Ų7134%0.33735%0.351SS..  trans-90.592.6170.9-172.4-5.3000110.5Q129 E130 I131N127-Q129 PolarHBondContact O-N 3.34Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.09Å; N127-Q129 PolarHBondContact OD1-N 2.87Å; N127-Q129 VanDerWaalsContact OD1-N 3.16Å; N127-E130 HydrophobicContact CB-CB 4.13Å; N127-E130 PolarHBondContact O-N 3Å; N127-I131 WeakPolarHBondContact O-CG1 3.34Å; N127-I131 PolarHBondContact O-N 2.78Å; N127-I131 VanDerWaalsContact O-N 3.16Å
128Y83.4Confident86.7Confident29 Ų2974.7 Ų74.711%0.11437%0.372CS..Hα-helixtrans-62.2-26.6179.8-68.5-75.6000114.1L126 I131 A132 L142 Q146 D149L126-Y128 HydrophobicContact CB-CE2 4.25Å; L126-Y128 PolarHBondContact O-N 2.96Å; Y128-I131 PolarHBondContact O-N 2.89Å; Y128-A132 VanDerWaalsContact O-CB 3.28Å; Y128-A132 WeakPolarHBondContact O-CB 3.37Å; Y128-A132 PolarHBondContact O-N 3.46Å; Y128-L142 HydrophobicContact CD1-CD1 4.36Å; Y128-Q146 VanDerWaalsContact CB-NE2 3.31Å; Y128-Q146 HydrophobicContact CD1-CG 3.33Å; Y128-Q146 HydrophobicContact CD2-CG 3.86Å; Y128-Q146 HydrophobicContact CE1-CB 4.16Å; Y128-Q146 HydrophobicContact CE1-CG 3.39Å; Y128-Q146 HydrophobicContact CE2-CG 3.91Å; Y128-Q146 HydrophobicContact CG-CG 3.56Å; Y128-Q146 VanDerWaalsContact CG-NE2 3.28Å; Y128-D149 WeakPolarHBondContact CE1-OD2 3.41Å; Y128-D149 WeakPolarHBondContact OH-CB 3.41Å
129Q83Confident86.4Confident155 Ų15576.3 Ų76.372%0.72438%0.38SS*.Hα-helixtrans-67.2-42.9176.7-62.8-178-5.800110.9N127 A132 T133N127-Q129 PolarHBondContact O-N 3.34Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.09Å; N127-Q129 PolarHBondContact OD1-N 2.87Å; N127-Q129 VanDerWaalsContact OD1-N 3.16Å; Q129-A132 PolarHBondContact O-N 3.41Å; Q129-T133 WeakPolarHBondContact O-CG2 3.46Å; Q129-T133 PolarHBondContact O-N 3.18Å; Q129-T133 VanDerWaalsContact O-N 3.15Å; Q129-T133 PolarHBondContact O-OG1 2.91Å
130E82.3Confident86.2Confident122 Ų12280.7 Ų80.757%0.5740%0.403SS*.Hα-helixtrans-64-43.3175.7-170.8175.2173.200111N127 T133 K134N127-E130 HydrophobicContact CB-CB 4.13Å; N127-E130 PolarHBondContact O-N 3Å; E130-T133 PolarHBondContact O-N 3.04Å; E130-T133 PolarHBondContact O-OG1 3.17Å; E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 2.75Å
131I81.1Confident86Confident32 Ų3284.7 Ų84.716%0.16442%0.418CS..Hα-helixtrans-63.2-43.8176.5-63.2167.3000111.4L126 N127 Y128 T133 K134 D135 L137L126-I131 HydrophobicContact CB-CD1 4.42Å; N127-I131 WeakPolarHBondContact O-CG1 3.34Å; N127-I131 PolarHBondContact O-N 2.78Å; N127-I131 VanDerWaalsContact O-N 3.16Å; Y128-I131 PolarHBondContact O-N 2.89Å; I131-T133 VanDerWaalsContact C-N 3.35Å; I131-T133 PolarHBondContact O-N 2.64Å; I131-K134 PolarHBondContact O-N 3.03Å; I131-D135 WeakPolarHBondContact O-CB 3.44Å; I131-D135 PolarHBondContact O-N 3.41Å; I131-L137 HydrophobicContact CG2-CD1 4.37Å
132A80.5Confident85.8Confident19 Ų1984.4 Ų84.416%0.15742%0.415CS..Hα-helixtrans-60.4-43179.800000112.3Y128 Q129 R136 L137 L142Y128-A132 VanDerWaalsContact O-CB 3.28Å; Y128-A132 WeakPolarHBondContact O-CB 3.37Å; Y128-A132 PolarHBondContact O-N 3.46Å; Q129-A132 PolarHBondContact O-N 3.41Å; A132-R136 VanDerWaalsContact O-CA 3.27Å; A132-R136 WeakPolarHBondContact O-CA 3.47Å; A132-R136 PolarHBondContact O-N 3.37Å; A132-L137 PolarHBondContact O-N 3.16Å; A132-L142 HydrophobicContact CB-CD1 3.82Å; A132-L142 HydrophobicContact CB-CD2 3.77Å; A132-L142 HydrophobicContact CB-CG 4.35Å
133T83.9Confident85.8Confident110 Ų11092.4 Ų92.468%0.67544%0.442SS*.Hα-helixtrans-69.5-38.6178.559.60000112.4Q129 E130 I131Q129-T133 WeakPolarHBondContact O-CG2 3.46Å; Q129-T133 PolarHBondContact O-N 3.18Å; Q129-T133 VanDerWaalsContact O-N 3.15Å; Q129-T133 PolarHBondContact O-OG1 2.91Å; E130-T133 PolarHBondContact O-N 3.04Å; E130-T133 PolarHBondContact O-OG1 3.17Å; I131-T133 VanDerWaalsContact C-N 3.35Å; I131-T133 PolarHBondContact O-N 2.64Å
134K83.5Confident86.1Confident171 Ų17195 Ų9574%0.74346%0.459SS*.Hα-helixtrans-68.9-47.4179-175.4179.8177.2-178.20112.4E130 I131 R136E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 2.75Å; I131-K134 PolarHBondContact O-N 3.03Å; K134-R136 VanDerWaalsContact C-N 3.34Å
135D84Confident86.2Confident73 Ų7392.7 Ų92.739%0.3945%0.445SS..Hα-helixtrans-90-0.9-176.1-69.5-8.5000112.6I131 L137 R145I131-D135 WeakPolarHBondContact O-CB 3.44Å; I131-D135 PolarHBondContact O-N 3.41Å; D135-L137 HydrophobicContact CB-CD1 4.01Å; D135-L137 HydrophobicContact CB-CD2 4.1Å; D135-L137 HydrophobicContact CB-CG 3.69Å; D135-L137 PolarHBondContact O-N 2.92Å; D135-R145 IonicContact OD2-CZ 2.7Å; D135-R145 IonicContact OD2-NH1 3.75Å; D135-R145 PolarHBondContact OD2-NH1 3.45Å; D135-R145 IonicContact OD2-NH2 2.75Å
136R85.1Confident86.4Confident222 Ų22295.7 Ų95.784%0.83846%0.457SS*.THydrogen-bonded Turntrans49.644-177.8-59.1-177.5179.3176.7-0.2112.6A132 K134A132-R136 VanDerWaalsContact O-CA 3.27Å; A132-R136 WeakPolarHBondContact O-CA 3.47Å; A132-R136 PolarHBondContact O-N 3.37Å; K134-R136 VanDerWaalsContact C-N 3.34Å
137L81.6Confident86.9Confident41 Ų4198 Ų9822%0.21547%0.47CS..  trans-75.8139.8-176.1-62.6171.7000110.8I131 A132 D135 Q141 L142I131-L137 HydrophobicContact CG2-CD1 4.37Å; A132-L137 PolarHBondContact O-N 3.16Å; D135-L137 HydrophobicContact CB-CD1 4.01Å; D135-L137 HydrophobicContact CB-CD2 4.1Å; D135-L137 HydrophobicContact CB-CG 3.69Å; D135-L137 PolarHBondContact O-N 2.92Å; L137-Q141 HydrophobicContact CB-CB 4.3Å; L137-Q141 HydrophobicContact CD2-CB 4.3Å; L137-L142 HydrophobicContact CD1-CD1 4.32Å
138N89.6Confident87.2Confident112 Ų112100.3 Ų100.360%0.59948%0.481SS*.  trans-66.9155.3166.9-72.4-34000110.7I140 Q141 L142N138-I140 PolarHBondContact O-N 2.94Å; N138-I140 VanDerWaalsContact O-N 3.1Å; N138-Q141 HydrophobicContact CB-CG 4.32Å; N138-Q141 VanDerWaalsContact N-OE1 3.09Å; N138-Q141 WeakPolarHBondContact O-CA 3.5Å; N138-Q141 WeakPolarHBondContact O-CB 3.41Å; N138-Q141 PolarHBondContact O-N 2.79Å; N138-L142 PolarHBondContact O-N 2.84Å
139D88.8Confident87.6Confident131 Ų131100.7 Ų100.770%0.70149%0.485SS*.Hα-helixtrans-52.3-38.3-179.7-70.4-16.6000113.5R143D139-R143 WeakPolarHBondContact O-CG 3.5Å; D139-R143 PolarHBondContact O-N 2.84Å
140I90Very high88.2Confident132 Ų13297.2 Ų97.268%0.67747%0.469SS*.Hα-helixtrans-69.8-43.7177.4-61.9175.2000110.9N138 L142 R143 V144N138-I140 PolarHBondContact O-N 2.94Å; N138-I140 VanDerWaalsContact O-N 3.1Å; I140-L142 VanDerWaalsContact C-N 3.3Å; I140-L142 PolarHBondContact O-N 2.75Å; I140-R143 PolarHBondContact O-N 2.81Å; I140-V144 HydrophobicContact CG2-CG2 4.46Å; I140-V144 WeakPolarHBondContact O-CG2 3.39Å; I140-V144 PolarHBondContact O-N 3.39Å
141Q91.3Very high88.8Confident102 Ų10295.9 Ų95.948%0.47747%0.469SS..Hα-helixtrans-63.9-38.9179.2-68.6176.1-51.900111.1L137 N138 V144 R145L137-Q141 HydrophobicContact CB-CB 4.3Å; L137-Q141 HydrophobicContact CD2-CB 4.3Å; N138-Q141 HydrophobicContact CB-CG 4.32Å; N138-Q141 VanDerWaalsContact N-OE1 3.09Å; N138-Q141 WeakPolarHBondContact O-CA 3.5Å; N138-Q141 WeakPolarHBondContact O-CB 3.41Å; N138-Q141 PolarHBondContact O-N 2.79Å; Q141-V144 PolarHBondContact O-N 2.95Å; Q141-R145 WeakPolarHBondContact O-CB 3.26Å; Q141-R145 PolarHBondContact O-N 2.87Å
142L90.1Very high89.4Confident28 Ų28100.8 Ų100.815%0.14749%0.491CS..Hα-helixtrans-60.9-47.7175.3-175.363.7000111.6Y128 A132 L137 N138 I140 R145 Q146Y128-L142 HydrophobicContact CD1-CD1 4.36Å; A132-L142 HydrophobicContact CB-CD1 3.82Å; A132-L142 HydrophobicContact CB-CD2 3.77Å; A132-L142 HydrophobicContact CB-CG 4.35Å; L137-L142 HydrophobicContact CD1-CD1 4.32Å; N138-L142 PolarHBondContact O-N 2.84Å; I140-L142 VanDerWaalsContact C-N 3.3Å; I140-L142 PolarHBondContact O-N 2.75Å; L142-R145 PolarHBondContact O-N 3.07Å; L142-Q146 WeakPolarHBondContact O-CG 3.48Å; L142-Q146 PolarHBondContact O-N 2.88Å
143R90.5Very high89.9Confident178 Ų178100.7 Ų100.767%0.67249%0.489SS*.Hα-helixtrans-63.3-41.4178.5-73176.4-175.8-127.23112.7D139 I140 R145 Q146 L147D139-R143 WeakPolarHBondContact O-CG 3.5Å; D139-R143 PolarHBondContact O-N 2.84Å; I140-R143 PolarHBondContact O-N 2.81Å; R143-R145 VanDerWaalsContact C-N 3.32Å; R143-R145 PolarHBondContact O-N 2.88Å; R143-Q146 PolarHBondContact O-N 2.79Å; R143-L147 WeakPolarHBondContact O-CG 3.41Å; R143-L147 PolarHBondContact O-N 2.72Å
144V93.9Very high90.4Very high76 Ų7699.3 Ų99.346%0.46148%0.477SS..Hα-helixtrans-61.9-43.1175.7171.50000110.3I140 Q141 L147 L148I140-V144 HydrophobicContact CG2-CG2 4.46Å; I140-V144 WeakPolarHBondContact O-CG2 3.39Å; I140-V144 PolarHBondContact O-N 3.39Å; Q141-V144 PolarHBondContact O-N 2.95Å; V144-L147 PolarHBondContact O-N 3.12Å; V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 HydrophobicContact CG1-CG 4.39Å; V144-L148 VanDerWaalsContact O-CG 3.3Å; V144-L148 WeakPolarHBondContact O-CG 3.33Å; V144-L148 PolarHBondContact O-N 2.73Å
145R90.4Very high90.9Very high90 Ų9093.7 Ų93.734%0.3446%0.462SS..Hα-helixtrans-62.4-45.6176.3-174.4169.7-175.6167.2-2.4112.5D135 Q141 L142 R143 L147 L148 D149D135-R145 IonicContact OD2-CZ 2.7Å; D135-R145 IonicContact OD2-NH1 3.75Å; D135-R145 PolarHBondContact OD2-NH1 3.45Å; D135-R145 IonicContact OD2-NH2 2.75Å; Q141-R145 WeakPolarHBondContact O-CB 3.26Å; Q141-R145 PolarHBondContact O-N 2.87Å; L142-R145 PolarHBondContact O-N 3.07Å; R143-R145 VanDerWaalsContact C-N 3.32Å; R143-R145 PolarHBondContact O-N 2.88Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 2.98Å; R145-L148 PolarHBondContact O-N 2.99Å; R145-L148 VanDerWaalsContact O-N 3.16Å; R145-D149 WeakPolarHBondContact O-CB 3.48Å; R145-D149 PolarHBondContact O-N 2.84Å
146Q91.6Very high91.3Very high68 Ų6893.2 Ų93.232%0.31846%0.457SS..Hα-helixtrans-54.6-46.3174.4-76.7175-27.700112.2Y128 L142 R143 D149 Q150Y128-Q146 VanDerWaalsContact CB-NE2 3.31Å; Y128-Q146 HydrophobicContact CD1-CG 3.33Å; Y128-Q146 HydrophobicContact CD2-CG 3.86Å; Y128-Q146 HydrophobicContact CE1-CB 4.16Å; Y128-Q146 HydrophobicContact CE1-CG 3.39Å; Y128-Q146 HydrophobicContact CE2-CG 3.91Å; Y128-Q146 HydrophobicContact CG-CG 3.56Å; Y128-Q146 VanDerWaalsContact CG-NE2 3.28Å; L142-Q146 WeakPolarHBondContact O-CG 3.48Å; L142-Q146 PolarHBondContact O-N 2.88Å; R143-Q146 PolarHBondContact O-N 2.79Å; Q146-D149 PolarHBondContact O-N 2.88Å; Q146-Q150 VanDerWaalsContact O-CB 3.31Å; Q146-Q150 WeakPolarHBondContact O-CB 3.22Å; Q146-Q150 PolarHBondContact O-N 3.28Å
147L94Very high91.7Very high105 Ų10585.8 Ų85.855%0.5543%0.434SS..Hα-helixtrans-66.5-38.9178.3-71.6169.4000112.2R143 V144 R145 V151R143-L147 WeakPolarHBondContact O-CG 3.41Å; R143-L147 PolarHBondContact O-N 2.72Å; V144-L147 PolarHBondContact O-N 3.12Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 2.98Å; L147-V151 WeakPolarHBondContact O-CB 3.06Å; L147-V151 VanDerWaalsContact O-CG2 3.27Å; L147-V151 WeakPolarHBondContact O-CG2 2.76Å; L147-V151 PolarHBondContact O-N 2.94Å
148L93.9Very high92.3Very high110 Ų11088.6 Ų88.658%0.57645%0.446SS*.Hα-helixtrans-65-46.5176.4-72.4172.7000111.6V144 R145 Q150 V151 Q152V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 HydrophobicContact CG1-CG 4.39Å; V144-L148 VanDerWaalsContact O-CG 3.3Å; V144-L148 WeakPolarHBondContact O-CG 3.33Å; V144-L148 PolarHBondContact O-N 2.73Å; R145-L148 PolarHBondContact O-N 2.99Å; R145-L148 VanDerWaalsContact O-N 3.16Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 2.56Å; L148-V151 PolarHBondContact O-N 3.14Å; L148-Q152 WeakPolarHBondContact O-CB 3.45Å; L148-Q152 PolarHBondContact O-N 3.1Å
149D91.9Very high92.6Very high38 Ų3887.8 Ų87.820%0.20344%0.441CS..Hα-helixtrans-61.6-42177.6-69.4-20.6000110.6Y128 R145 Q146 Q152 S153Y128-D149 WeakPolarHBondContact CE1-OD2 3.41Å; Y128-D149 WeakPolarHBondContact OH-CB 3.41Å; R145-D149 WeakPolarHBondContact O-CB 3.48Å; R145-D149 PolarHBondContact O-N 2.84Å; Q146-D149 PolarHBondContact O-N 2.88Å; D149-Q152 PolarHBondContact O-N 2.97Å; D149-S153 WeakPolarHBondContact O-CB 3.42Å; D149-S153 PolarHBondContact O-N 3.35Å
150Q93.5Very high92.9Very high81 Ų8183.4 Ų83.438%0.37942%0.416SS..Hα-helixtrans-63.4-46.9175.5-172.9177.330.100112.3Q146 L148 Q152 S153 I154Q146-Q150 VanDerWaalsContact O-CB 3.31Å; Q146-Q150 WeakPolarHBondContact O-CB 3.22Å; Q146-Q150 PolarHBondContact O-N 3.28Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 2.56Å; Q150-Q152 VanDerWaalsContact C-N 3.31Å; Q150-Q152 PolarHBondContact O-N 3.27Å; Q150-S153 PolarHBondContact O-N 3.45Å; Q150-I154 HydrophobicContact CG-CD1 4Å; Q150-I154 VanDerWaalsContact O-CG1 3.28Å; Q150-I154 WeakPolarHBondContact O-CG1 3.35Å; Q150-I154 PolarHBondContact O-N 2.88Å
151V95.7Very high93.1Very high94 Ų9482.2 Ų82.257%0.5741%0.407SS*.Hα-helixtrans-62.9-40.2177.4168.40000111L147 L148 I154 A155L147-V151 WeakPolarHBondContact O-CB 3.06Å; L147-V151 VanDerWaalsContact O-CG2 3.27Å; L147-V151 WeakPolarHBondContact O-CG2 2.76Å; L147-V151 PolarHBondContact O-N 2.94Å; L148-V151 PolarHBondContact O-N 3.14Å; V151-I154 PolarHBondContact O-N 3.27Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 2.72Å
152Q93.3Very high93.3Very high136 Ų13684.1 Ų84.164%0.63641%0.41SS*.Hα-helixtrans-64.1-42.9176.2-177.7175-17.600111.6L148 D149 Q150 A155 K156L148-Q152 WeakPolarHBondContact O-CB 3.45Å; L148-Q152 PolarHBondContact O-N 3.1Å; D149-Q152 PolarHBondContact O-N 2.97Å; Q150-Q152 VanDerWaalsContact C-N 3.31Å; Q150-Q152 PolarHBondContact O-N 3.27Å; Q152-A155 PolarHBondContact O-N 3.17Å; Q152-K156 WeakPolarHBondContact O-CB 3.42Å; Q152-K156 PolarHBondContact O-N 2.05Å
153S91.8Very high93.5Very high16 Ų1686.2 Ų86.211%0.11242%0.424CS..Hα-helixtrans-60.1-48.3175-161.50000111.1D149 Q150 A155 K156 D157D149-S153 WeakPolarHBondContact O-CB 3.42Å; D149-S153 PolarHBondContact O-N 3.35Å; Q150-S153 PolarHBondContact O-N 3.45Å; S153-A155 PolarHBondContact O-N 3.45Å; S153-K156 WeakPolarHBondContact O-CB 3.48Å; S153-K156 PolarHBondContact O-N 2.85Å; S153-D157 PolarHBondContact O-N 3.38Å
154I93.7Very high93.6Very high81 Ų8183 Ų8342%0.41541%0.412SS..Hα-helixtrans-61.5-43.9178.2-66.8165.2000111.4Q150 V151 K156 D157 Q158Q150-I154 HydrophobicContact CG-CD1 4Å; Q150-I154 VanDerWaalsContact O-CG1 3.28Å; Q150-I154 WeakPolarHBondContact O-CG1 3.35Å; Q150-I154 PolarHBondContact O-N 2.88Å; V151-I154 PolarHBondContact O-N 3.27Å; I154-K156 VanDerWaalsContact C-N 3.25Å; I154-K156 PolarHBondContact O-N 2.88Å; I154-D157 PolarHBondContact O-N 2.79Å; I154-Q158 HydrophobicContact CG2-CG 4.42Å; I154-Q158 WeakPolarHBondContact O-CB 3.46Å; I154-Q158 VanDerWaalsContact O-CG 3.31Å; I154-Q158 WeakPolarHBondContact O-CG 3.42Å; I154-Q158 PolarHBondContact O-N 3.43Å
155A95.3Very high93.6Very high53 Ų5385.5 Ų85.544%0.43842%0.418SS..Hα-helixtrans-62.2-37.2179.100000111.7V151 Q152 S153 N159V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 2.72Å; Q152-A155 PolarHBondContact O-N 3.17Å; S153-A155 PolarHBondContact O-N 3.45Å; A155-N159 PolarHBondContact O-N 3.18Å
156K92.6Very high93.9Very high64 Ų6487.3 Ų87.328%0.27843%0.43SS..Hα-helixtrans-69-44.7176.3-168.8-179.4-167.1-176.10112.4P36 E37 D38 T39 Q152 S153 I154 Q158 N159 Y160P36-K156 HydrophobicContact CB-CD 4.47Å; P36-K156 HydrophobicContact CB-CG 4.27Å; E37-K156 WeakPolarHBondContact O-CE 3.4Å; E37-K156 PolarHBondContact O-NZ 2.87Å; D38-K156 PolarHBondContact O-NZ 2.85Å; T39-K156 PolarHBondContact OG1-NZ 3.31Å; Q152-K156 WeakPolarHBondContact O-CB 3.42Å; Q152-K156 PolarHBondContact O-N 2.05Å; S153-K156 WeakPolarHBondContact O-CB 3.48Å; S153-K156 PolarHBondContact O-N 2.85Å; I154-K156 VanDerWaalsContact C-N 3.25Å; I154-K156 PolarHBondContact O-N 2.88Å; K156-Q158 VanDerWaalsContact C-N 3.31Å; K156-Q158 PolarHBondContact O-N 2.89Å; K156-N159 PolarHBondContact O-N 3.35Å; K156-Y160 PolarHBondContact O-N 3.24Å
157D92.1Very high94Very high65 Ų6587.6 Ų87.635%0.34844%0.44SS..Hα-helixtrans-60.1-43.4174.2-69.7-20.5000110.9P36 S153 I154 N159 Y160 Q161P36-D157 WeakPolarHBondContact CG-OD1 3.42Å; S153-D157 PolarHBondContact O-N 3.38Å; I154-D157 PolarHBondContact O-N 2.79Å; D157-N159 VanDerWaalsContact C-N 3.35Å; D157-N159 PolarHBondContact O-N 2.6Å; D157-Y160 WeakPolarHBondContact O-CB 3.3Å; D157-Y160 PolarHBondContact O-N 3.17Å; D157-Q161 VanDerWaalsContact O-CG 3.26Å; D157-Q161 WeakPolarHBondContact O-CG 3.4Å; D157-Q161 PolarHBondContact O-N 2.84Å
158Q95.6Very high94.1Very high100 Ų10089.9 Ų89.947%0.46745%0.446SS..Hα-helixtrans-60.4-43.9174.7-74.8-179.26.500112.1I154 K156 Q161 R162I154-Q158 HydrophobicContact CG2-CG 4.42Å; I154-Q158 WeakPolarHBondContact O-CB 3.46Å; I154-Q158 VanDerWaalsContact O-CG 3.31Å; I154-Q158 WeakPolarHBondContact O-CG 3.42Å; I154-Q158 PolarHBondContact O-N 3.43Å; K156-Q158 VanDerWaalsContact C-N 3.31Å; K156-Q158 PolarHBondContact O-N 2.89Å; Q158-Q161 PolarHBondContact O-N 3.11Å; Q158-R162 WeakPolarHBondContact O-CG 3.26Å; Q158-R162 PolarHBondContact O-N 3.35Å
159N95.1Very high94.3Very high95 Ų9592.8 Ų92.851%0.50845%0.449SS..Hα-helixtrans-62.7-43.9176.6-173.465.2000111.4A155 K156 D157 Q161 R162 V163A155-N159 PolarHBondContact O-N 3.18Å; K156-N159 PolarHBondContact O-N 3.35Å; D157-N159 VanDerWaalsContact C-N 3.35Å; D157-N159 PolarHBondContact O-N 2.6Å; N159-Q161 VanDerWaalsContact C-N 3.34Å; N159-Q161 PolarHBondContact O-N 3.34Å; N159-R162 PolarHBondContact O-N 3.38Å; N159-V163 PolarHBondContact O-N 3.03Å
160Y94Very high94.5Very high40 Ų4094.6 Ų94.616%0.15747%0.465CS..Hα-helixtrans-57.7-46.5174.7177.8-122.1000111.8D34 P36 P93 K156 D157 R162 V163 R164D34-Y160 PolarHBondContact OD1-OH 3.14Å; D34-Y160 PolarHBondContact OD2-OH 2.85Å; P36-Y160 HydrophobicContact CB-CG 4.22Å; P36-Y160 HydrophobicContact CG-CD1 4.16Å; P36-Y160 HydrophobicContact CG-CG 4.26Å; P93-Y160 HydrophobicContact CB-CD2 4.11Å; P93-Y160 HydrophobicContact CB-CE2 3.75Å; K156-Y160 PolarHBondContact O-N 3.24Å; D157-Y160 WeakPolarHBondContact O-CB 3.3Å; D157-Y160 PolarHBondContact O-N 3.17Å; Y160-R162 PolarHBondContact O-N 2.81Å; Y160-V163 PolarHBondContact O-N 3.3Å; Y160-R164 HydrophobicContact CE2-CG 4.14Å; Y160-R164 WeakPolarHBondContact O-CG 3.16Å; Y160-R164 PolarHBondContact O-N 2.93Å; Y160-R164 VanDerWaalsContact O-N 3.11Å
161Q94.6Very high94.6Very high106 Ų10695.8 Ų95.850%0.49547%0.473SS..Hα-helixtrans-65.3-35.4178.5-65.6-65.38.900113D157 Q158 N159 R164 E165D157-Q161 VanDerWaalsContact O-CG 3.26Å; D157-Q161 WeakPolarHBondContact O-CG 3.4Å; D157-Q161 PolarHBondContact O-N 2.84Å; Q158-Q161 PolarHBondContact O-N 3.11Å; N159-Q161 VanDerWaalsContact C-N 3.34Å; N159-Q161 PolarHBondContact O-N 3.34Å; Q161-R164 PolarHBondContact O-N 3.44Å; Q161-E165 WeakPolarHBondContact O-CB 3.49Å; Q161-E165 PolarHBondContact O-N 2.91Å
162R96.4Very high94.7Very high142 Ų14294.3 Ų94.354%0.53647%0.467SS..Hα-helixtrans-62.3-48175.1-73.7175-165.9167.87112Q158 N159 Y160 R164 E165 E166Q158-R162 WeakPolarHBondContact O-CG 3.26Å; Q158-R162 PolarHBondContact O-N 3.35Å; N159-R162 PolarHBondContact O-N 3.38Å; Y160-R162 PolarHBondContact O-N 2.81Å; R162-R164 VanDerWaalsContact C-N 3.26Å; R162-R164 PolarHBondContact O-N 3.12Å; R162-E165 WeakPolarHBondContact O-CB 3.5Å; R162-E165 PolarHBondContact O-N 2.84Å; R162-E165 VanDerWaalsContact O-N 3.14Å; R162-E166 WeakPolarHBondContact O-CG 3.4Å; R162-E166 PolarHBondContact O-N 2.61Å
163V92.9Very high94.8Very high73 Ų7394 Ų9444%0.44247%0.466SS..Hα-helixtrans-61.3-38.1178.1175.10000111.1N159 Y160 S167N159-V163 PolarHBondContact O-N 3.03Å; Y160-V163 PolarHBondContact O-N 3.3Å; V163-S167 PolarHBondContact O-N 3.44Å; V163-S167 VanDerWaalsContact O-N 3.12Å; V163-S167 PolarHBondContact O-OG 3.32Å
164R92.5Very high95Very high110 Ų11096.3 Ų96.342%0.41548%0.482SS..Hα-helixtrans-66.4-43.2173.8-74.1-174.468.717811.2112.6D34 Y160 Q161 R162 E166 S167 F168D34-R164 IonicContact OD2-CZ 3.49Å; D34-R164 IonicContact OD2-NH1 3.97Å; D34-R164 PolarHBondContact OD2-NH1 3Å; D34-R164 IonicContact OD2-NH2 3.84Å; Y160-R164 HydrophobicContact CE2-CG 4.14Å; Y160-R164 WeakPolarHBondContact O-CG 3.16Å; Y160-R164 PolarHBondContact O-N 2.93Å; Y160-R164 VanDerWaalsContact O-N 3.11Å; Q161-R164 PolarHBondContact O-N 3.44Å; R162-R164 VanDerWaalsContact C-N 3.26Å; R162-R164 PolarHBondContact O-N 3.12Å; R164-E166 VanDerWaalsContact C-N 3.34Å; R164-S167 PolarHBondContact O-N 3.08Å; R164-F168 VanDerWaalsContact O-CB 3.3Å; R164-F168 WeakPolarHBondContact O-CB 3.42Å; R164-F168 PolarHBondContact O-N 3.26Å
165E95.7Very high95.2Very high128 Ų12895.9 Ų95.960%0.59848%0.483SS*.Hα-helixtrans-60.8-44.3177.1-172.9-173.5165.100111Q161 R162 S167 F168 R169Q161-E165 WeakPolarHBondContact O-CB 3.49Å; Q161-E165 PolarHBondContact O-N 2.91Å; R162-E165 WeakPolarHBondContact O-CB 3.5Å; R162-E165 PolarHBondContact O-N 2.84Å; R162-E165 VanDerWaalsContact O-N 3.14Å; E165-S167 VanDerWaalsContact C-N 3.34Å; E165-S167 PolarHBondContact O-N 3.28Å; E165-F168 PolarHBondContact O-N 3.48Å; E165-R169 WeakPolarHBondContact O-CB 3.42Å; E165-R169 PolarHBondContact O-N 2.85Å
166E96Very high95.2Very high128 Ų12898.2 Ų98.260%0.59849%0.488SS*.Hα-helixtrans-59.6-44176.1-72.4175.6-174.200112.1R162 R164 R169 S170R162-E166 WeakPolarHBondContact O-CG 3.4Å; R162-E166 PolarHBondContact O-N 2.61Å; R164-E166 VanDerWaalsContact C-N 3.34Å; E166-R169 PolarHBondContact O-N 2.8Å; E166-S170 PolarHBondContact O-N 3.28Å; E166-S170 PolarHBondContact O-OG 3.38Å
167S93.9Very high95.4Very high75 Ų75103.4 Ų103.452%0.52451%0.506SS..Hα-helixtrans-65.6-45.6176.8-58.70000111.6V163 R164 E165 R169 S170 L171V163-S167 PolarHBondContact O-N 3.44Å; V163-S167 VanDerWaalsContact O-N 3.12Å; V163-S167 PolarHBondContact O-OG 3.32Å; R164-S167 PolarHBondContact O-N 3.08Å; E165-S167 VanDerWaalsContact C-N 3.34Å; E165-S167 PolarHBondContact O-N 3.28Å; S167-R169 VanDerWaalsContact C-N 3.35Å; S167-S170 PolarHBondContact O-N 2.78Å; S167-L171 PolarHBondContact O-N 2.97Å
168F95.7Very high95.7Very high152 Ų152108.9 Ų108.967%0.66752%0.522SS*.Hα-helixtrans-64.9-39.1177.6-176.7-99.5000111.6R164 E165 L171 S172R164-F168 VanDerWaalsContact O-CB 3.3Å; R164-F168 WeakPolarHBondContact O-CB 3.42Å; R164-F168 PolarHBondContact O-N 3.26Å; E165-F168 PolarHBondContact O-N 3.48Å; F168-L171 PolarHBondContact O-N 3.47Å; F168-S172 VanDerWaalsContact O-CB 3.24Å; F168-S172 WeakPolarHBondContact O-CB 3.24Å; F168-S172 PolarHBondContact O-N 3.47Å
169R97.3Very high95.8Very high172 Ų172108.2 Ų108.265%0.64952%0.524SS*.Hα-helixtrans-62.2-44.9174.9-179.6174.3176.1153.2-0.9111.3E165 E166 S167 S172 E173E165-R169 WeakPolarHBondContact O-CB 3.42Å; E165-R169 PolarHBondContact O-N 2.85Å; E166-R169 PolarHBondContact O-N 2.8Å; S167-R169 VanDerWaalsContact C-N 3.35Å; R169-S172 WeakPolarHBondContact O-CB 3.48Å; R169-S172 PolarHBondContact O-N 2.75Å; R169-E173 WeakPolarHBondContact O-CB 3.19Å; R169-E173 PolarHBondContact O-N 2.9Å
170S96.4Very high95.8Very high75 Ų75106.8 Ų106.852%0.52452%0.519SS..Hα-helixtrans-64.4-41.6177-58.20000112E166 S167 S172 E173 S174E166-S170 PolarHBondContact O-N 3.28Å; E166-S170 PolarHBondContact O-OG 3.38Å; S167-S170 PolarHBondContact O-N 2.78Å; S170-S172 VanDerWaalsContact C-N 3.35Å; S170-E173 PolarHBondContact O-N 3Å; S170-S174 WeakPolarHBondContact O-CB 3.27Å; S170-S174 PolarHBondContact O-N 3.4Å; S170-S174 PolarHBondContact O-OG 2.65Å; S170-S174 VanDerWaalsContact O-OG 3.1Å
171L96.1Very high96Very high107 Ų107113.3 Ų113.356%0.5654%0.543SS*.Hα-helixtrans-64.5-40.4174.1-178.459.9000111.7S167 F168 S174 T175S167-L171 PolarHBondContact O-N 2.97Å; F168-L171 PolarHBondContact O-N 3.47Å; L171-S174 PolarHBondContact O-OG 2.75Å; L171-T175 VanDerWaalsContact O-CB 3.27Å; L171-T175 WeakPolarHBondContact O-CB 3.34Å; L171-T175 PolarHBondContact O-N 2.87Å; L171-T175 PolarHBondContact O-OG1 3.48Å
172S96.8Very high96.1Very high63 Ų63117 Ų11744%0.44155%0.553SS.*Hα-helixtrans-64.2-46.6176.3-177.30000111.4F168 R169 S170 S174 T175 N176F168-S172 VanDerWaalsContact O-CB 3.24Å; F168-S172 WeakPolarHBondContact O-CB 3.24Å; F168-S172 PolarHBondContact O-N 3.47Å; R169-S172 WeakPolarHBondContact O-CB 3.48Å; R169-S172 PolarHBondContact O-N 2.75Å; S170-S172 VanDerWaalsContact C-N 3.35Å; S172-S174 PolarHBondContact O-N 3.32Å; S172-T175 PolarHBondContact O-N 3.33Å; S172-N176 WeakPolarHBondContact O-CB 3.48Å; S172-N176 PolarHBondContact O-N 2.93Å
173E96.7Very high96.2Very high129 Ų129113 Ų11360%0.60355%0.547SS*.Hα-helixtrans-61.5-46.6178.3-174.8177.7163.700111.8R169 S170 T175 N176 R177R169-E173 WeakPolarHBondContact O-CB 3.19Å; R169-E173 PolarHBondContact O-N 2.9Å; S170-E173 PolarHBondContact O-N 3Å; E173-T175 PolarHBondContact O-N 2.88Å; E173-N176 PolarHBondContact O-N 3.37Å; E173-R177 VanDerWaalsContact O-CB 3.31Å; E173-R177 WeakPolarHBondContact O-CB 3.31Å; E173-R177 PolarHBondContact O-N 3.42Å
174S96.3Very high96.4Very high65 Ų65112.7 Ų112.746%0.45555%0.545SS..Hα-helixtrans-64.4-3917862.30000112.6S170 L171 S172 R178S170-S174 WeakPolarHBondContact O-CB 3.27Å; S170-S174 PolarHBondContact O-N 3.4Å; S170-S174 PolarHBondContact O-OG 2.65Å; S170-S174 VanDerWaalsContact O-OG 3.1Å; L171-S174 PolarHBondContact O-OG 2.75Å; S172-S174 PolarHBondContact O-N 3.32Å; S174-R178 WeakPolarHBondContact O-CB 3.31Å; S174-R178 PolarHBondContact O-N 2.75Å; S174-R178 VanDerWaalsContact O-N 3.14Å
175T96.9Very high96.7Very high72 Ų72110.1 Ų110.144%0.44255%0.547SS..Hα-helixtrans-66.5-49.9175.1-59.10000110.9L171 S172 E173 R177 R178 V179L171-T175 VanDerWaalsContact O-CB 3.27Å; L171-T175 WeakPolarHBondContact O-CB 3.34Å; L171-T175 PolarHBondContact O-N 2.87Å; L171-T175 PolarHBondContact O-OG1 3.48Å; S172-T175 PolarHBondContact O-N 3.33Å; E173-T175 PolarHBondContact O-N 2.88Å; T175-R177 VanDerWaalsContact C-N 3.32Å; T175-R177 PolarHBondContact O-N 3.15Å; T175-R178 WeakPolarHBondContact O-CB 3.5Å; T175-R178 PolarHBondContact O-N 3.46Å; T175-R178 VanDerWaalsContact O-N 3.15Å; T175-V179 HydrophobicContact CG2-CG2 4.29Å; T175-V179 VanDerWaalsContact O-CG2 3.31Å; T175-V179 WeakPolarHBondContact O-CG2 3.39Å; T175-V179 PolarHBondContact O-N 2.96Å
176N96.2Very high96.8Very high101 Ų101110 Ų11054%0.5455%0.547SS..Hα-helixtrans-58.9-43.3179.5-178.157.6000111.7S172 E173 R178 V179 T180S172-N176 WeakPolarHBondContact O-CB 3.48Å; S172-N176 PolarHBondContact O-N 2.93Å; E173-N176 PolarHBondContact O-N 3.37Å; N176-R178 PolarHBondContact O-N 2.91Å; N176-V179 PolarHBondContact O-N 2.94Å; N176-T180 WeakPolarHBondContact O-CB 3.46Å; N176-T180 PolarHBondContact O-N 3.04Å; N176-T180 PolarHBondContact O-OG1 2.94Å
177R97.1Very high96.9Very high173 Ų173108.6 Ų108.665%0.65354%0.543SS*.Hα-helixtrans-61.8-43.9176.3-168.3178.8-152.9-174.77.1111.9E173 T175 T180 W181E173-R177 VanDerWaalsContact O-CB 3.31Å; E173-R177 WeakPolarHBondContact O-CB 3.31Å; E173-R177 PolarHBondContact O-N 3.42Å; T175-R177 VanDerWaalsContact C-N 3.32Å; T175-R177 PolarHBondContact O-N 3.15Å; R177-T180 PolarHBondContact O-N 3.25Å; R177-W181 PolarHBondContact O-N 2.97Å; R177-W181 VanDerWaalsContact O-N 3.08Å
178R96.6Very high97.1Very high180 Ų180109 Ų10968%0.67954%0.541SS*.Hα-helixtrans-62.6-48.6177.2-175.7-178.4-65.6-172.40.8111.1S174 T175 N176 T180 W181 W182S174-R178 WeakPolarHBondContact O-CB 3.31Å; S174-R178 PolarHBondContact O-N 2.75Å; S174-R178 VanDerWaalsContact O-N 3.14Å; T175-R178 WeakPolarHBondContact O-CB 3.5Å; T175-R178 PolarHBondContact O-N 3.46Å; T175-R178 VanDerWaalsContact O-N 3.15Å; N176-R178 PolarHBondContact O-N 2.91Å; R178-T180 VanDerWaalsContact C-N 3.32Å; R178-T180 PolarHBondContact O-N 3.14Å; R178-W181 PolarHBondContact O-N 3.47Å; R178-W182 PolarHBondContact O-N 3.32Å
179V97.7Very high97.2Very high86 Ų86106.8 Ų106.852%0.52154%0.536SS..Hα-helixtrans-60.2-43.3178.3172.90000111T175 N176 W181 W182 S183T175-V179 HydrophobicContact CG2-CG2 4.29Å; T175-V179 VanDerWaalsContact O-CG2 3.31Å; T175-V179 WeakPolarHBondContact O-CG2 3.39Å; T175-V179 PolarHBondContact O-N 2.96Å; N176-V179 PolarHBondContact O-N 2.94Å; V179-W181 PolarHBondContact O-N 3.1Å; V179-W182 PolarHBondContact O-N 3.4Å; V179-S183 PolarHBondContact O-N 2.98Å
180T96.4Very high97.2Very high65 Ų65103.5 Ų103.540%0.39953%0.531SS..Hα-helixtrans-59.7-46.9177.3-57.70000111.3N176 R177 R178 W182 S183 V184N176-T180 WeakPolarHBondContact O-CB 3.46Å; N176-T180 PolarHBondContact O-N 3.04Å; N176-T180 PolarHBondContact O-OG1 2.94Å; R177-T180 PolarHBondContact O-N 3.25Å; R178-T180 VanDerWaalsContact C-N 3.32Å; R178-T180 PolarHBondContact O-N 3.14Å; T180-W182 PolarHBondContact O-N 3.48Å; T180-S183 PolarHBondContact O-N 3.4Å; T180-S183 PolarHBondContact O-OG 3.44Å; T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.46Å
181W97.3Very high97.3Very high177 Ų177105.1 Ų105.167%0.6753%0.533SS*.Hα-helixtrans-62.2-41176.8-88.3111.4000113.1R177 R178 V179 S183 V184 A185R177-W181 PolarHBondContact O-N 2.97Å; R177-W181 VanDerWaalsContact O-N 3.08Å; R178-W181 PolarHBondContact O-N 3.47Å; V179-W181 PolarHBondContact O-N 3.1Å; W181-S183 VanDerWaalsContact C-N 3.34Å; W181-S183 PolarHBondContact O-N 3.26Å; W181-V184 PolarHBondContact O-N 3.3Å; W181-A185 PolarHBondContact O-N 3.45Å
182W97.5Very high97.4Very high185 Ų185103.7 Ų103.770%0.70153%0.531SS*.Hα-helixtrans-60.8-41.5173.3-78.8113.6000112.2R178 V179 T180 A185 Q186R178-W182 PolarHBondContact O-N 3.32Å; V179-W182 PolarHBondContact O-N 3.4Å; T180-W182 PolarHBondContact O-N 3.48Å; W182-A185 PolarHBondContact O-N 3.18Å; W182-Q186 WeakPolarHBondContact O-CB 3.48Å; W182-Q186 PolarHBondContact O-N 2.93Å
183S97.2Very high97.4Very high58 Ų58104.2 Ų104.241%0.40653%0.528SS..Hα-helixtrans-65.9-37.5176.567.90000113.3V179 T180 W181 Q186 L187V179-S183 PolarHBondContact O-N 2.98Å; T180-S183 PolarHBondContact O-N 3.4Å; T180-S183 PolarHBondContact O-OG 3.44Å; W181-S183 VanDerWaalsContact C-N 3.34Å; W181-S183 PolarHBondContact O-N 3.26Å; S183-Q186 PolarHBondContact O-N 3.06Å; S183-L187 WeakPolarHBondContact O-CB 3.45Å; S183-L187 PolarHBondContact O-N 3.34Å
184V97.9Very high97.4Very high65 Ų6599.5 Ų99.539%0.39451%0.514SS..Hα-helixtrans-66.5-44176.1170.80000110.4T180 W181 Q186 L187 V188T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.46Å; W181-V184 PolarHBondContact O-N 3.3Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-Q186 PolarHBondContact O-N 3.32Å; V184-L187 PolarHBondContact O-N 3Å; V184-V188 WeakPolarHBondContact O-CG2 3.45Å; V184-V188 PolarHBondContact O-N 2.87Å
185A98.1Very high97.4Very high56 Ų56103.6 Ų103.646%0.46352%0.524SS..Hα-helixtrans-60.2-43.2175.700000111.8W181 W182 V188 L189W181-A185 PolarHBondContact O-N 3.45Å; W182-A185 PolarHBondContact O-N 3.18Å; A185-V188 PolarHBondContact O-N 3.27Å; A185-L189 WeakPolarHBondContact O-CB 3.38Å; A185-L189 PolarHBondContact O-N 2.86Å
186Q97.9Very high97.4Very high126 Ų126109 Ų10959%0.58954%0.536SS*.Hα-helixtrans-61.9-43.5175.4-175.9-178-800112W182 S183 V184 L189 L190W182-Q186 WeakPolarHBondContact O-CB 3.48Å; W182-Q186 PolarHBondContact O-N 2.93Å; S183-Q186 PolarHBondContact O-N 3.06Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-Q186 PolarHBondContact O-N 3.32Å; Q186-L189 PolarHBondContact O-N 2.98Å; Q186-L190 HydrophobicContact CG-CD1 4.44Å; Q186-L190 WeakPolarHBondContact O-CG 3.36Å; Q186-L190 PolarHBondContact O-N 3.08Å
187L98Very high97.4Very high99 Ų99109.7 Ų109.752%0.51854%0.536SS..Hα-helixtrans-62.2-46178.1178.762.1000111.8S183 V184 L189 L190 I191S183-L187 WeakPolarHBondContact O-CB 3.45Å; S183-L187 PolarHBondContact O-N 3.34Å; V184-L187 PolarHBondContact O-N 3Å; L187-L189 VanDerWaalsContact C-N 3.31Å; L187-L189 PolarHBondContact O-N 3.26Å; L187-L190 PolarHBondContact O-N 2.94Å; L187-I191 HydrophobicContact CD1-CD1 4.28Å; L187-I191 HydrophobicContact CG-CD1 4.13Å; L187-I191 WeakPolarHBondContact O-CG1 3.35Å; L187-I191 PolarHBondContact O-N 3.46Å
188V98.2Very high97.3Very high82 Ų82106.5 Ų106.550%0.49753%0.53SS..Hα-helixtrans-60.2-43.2176.8171.40000110.7V184 A185 L190 I191 C192V184-V188 WeakPolarHBondContact O-CG2 3.45Å; V184-V188 PolarHBondContact O-N 2.87Å; A185-V188 PolarHBondContact O-N 3.27Å; V188-L190 PolarHBondContact O-N 3.3Å; V188-I191 PolarHBondContact O-N 3.48Å; V188-C192 PolarHBondContact O-N 2.89Å; V188-C192 PolarHBondContact O-SG 3.48Å
189L98.2Very high97.2Very high107 Ų107106.4 Ų106.456%0.5653%0.53SS*.Hα-helixtrans-61.1-44.2177-175.466.4000112A185 Q186 L187 I191 C192 I193A185-L189 WeakPolarHBondContact O-CB 3.38Å; A185-L189 PolarHBondContact O-N 2.86Å; Q186-L189 PolarHBondContact O-N 2.98Å; L187-L189 VanDerWaalsContact C-N 3.31Å; L187-L189 PolarHBondContact O-N 3.26Å; L189-I191 VanDerWaalsContact C-N 3.34Å; L189-I191 PolarHBondContact O-N 3.47Å; L189-C192 PolarHBondContact O-N 3.47Å; L189-I193 HydrophobicContact CD1-CD1 4.26Å; L189-I193 HydrophobicContact CG-CD1 3.95Å; L189-I193 VanDerWaalsContact O-CG1 3.31Å; L189-I193 WeakPolarHBondContact O-CG1 3.31Å; L189-I193 PolarHBondContact O-N 2.94Å
190L97.7Very high96.9Very high103 Ų103107.9 Ų107.954%0.53953%0.531SS..Hα-helixtrans-61.2-41.2176.2-72.9173.5000112Q186 L187 V188 I193 G194Q186-L190 HydrophobicContact CG-CD1 4.44Å; Q186-L190 WeakPolarHBondContact O-CG 3.36Å; Q186-L190 PolarHBondContact O-N 3.08Å; L187-L190 PolarHBondContact O-N 2.94Å; V188-L190 PolarHBondContact O-N 3.3Å; L190-I193 PolarHBondContact O-N 3.27Å; L190-G194 PolarHBondContact O-N 3.03Å
191I98Very high96.6Very high108 Ų108108.8 Ų108.855%0.55453%0.533SS*.Hα-helixtrans-64.3-45.4176.2-67.6167.5000110.8L187 V188 L189 I193 G194 F195L187-I191 HydrophobicContact CD1-CD1 4.28Å; L187-I191 HydrophobicContact CG-CD1 4.13Å; L187-I191 WeakPolarHBondContact O-CG1 3.35Å; L187-I191 PolarHBondContact O-N 3.46Å; V188-I191 PolarHBondContact O-N 3.48Å; L189-I191 VanDerWaalsContact C-N 3.34Å; L189-I191 PolarHBondContact O-N 3.47Å; I191-I193 PolarHBondContact O-N 3.01Å; I191-G194 PolarHBondContact O-N 3.31Å; I191-F195 PolarHBondContact O-N 3.44Å
192C97.8Very high96.4Very high77 Ų77108.6 Ų108.652%0.5253%0.532SS..Hα-helixtrans-59.6-45.4177.2-72.30000111.8V188 L189 F195 W196V188-C192 PolarHBondContact O-N 2.89Å; V188-C192 PolarHBondContact O-SG 3.48Å; L189-C192 PolarHBondContact O-N 3.47Å; C192-F195 PolarHBondContact O-N 2.99Å; C192-W196 WeakPolarHBondContact O-CB 3.47Å; C192-W196 PolarHBondContact O-N 3.17Å
193I97.4Very high96Very high75 Ų75102.2 Ų102.239%0.38552%0.518SS..Hα-helixtrans-65-43.1176.5-67168.1000110.6L189 L190 I191 F195 W196 Q197L189-I193 HydrophobicContact CD1-CD1 4.26Å; L189-I193 HydrophobicContact CG-CD1 3.95Å; L189-I193 VanDerWaalsContact O-CG1 3.31Å; L189-I193 WeakPolarHBondContact O-CG1 3.31Å; L189-I193 PolarHBondContact O-N 2.94Å; L190-I193 PolarHBondContact O-N 3.27Å; I191-I193 PolarHBondContact O-N 3.01Å; I193-F195 PolarHBondContact O-N 3.48Å; I193-W196 WeakPolarHBondContact O-CB 3.45Å; I193-W196 PolarHBondContact O-N 3.25Å; I193-Q197 HydrophobicContact CG2-CG 4.37Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.43Å
194G97.2Very high95.6Very high30 Ų30103.7 Ų103.731%0.30952%0.518SS..Hα-helixtrans-60.3-44.8177.100000112.6L190 I191 Q197 M198L190-G194 PolarHBondContact O-N 3.03Å; I191-G194 PolarHBondContact O-N 3.31Å; G194-Q197 PolarHBondContact O-N 2.99Å; G194-M198 WeakPolarHBondContact O-CG 3.4Å; G194-M198 PolarHBondContact O-N 3.45Å
195F96.8Very high95.3Very high150 Ų150106.1 Ų106.166%0.65852%0.523SS*.Hα-helixtrans-63.3-42.7175.5-175.7-97000112I191 C192 I193 M198 R199I191-F195 PolarHBondContact O-N 3.44Å; C192-F195 PolarHBondContact O-N 2.99Å; I193-F195 PolarHBondContact O-N 3.48Å; F195-M198 PolarHBondContact O-N 3Å; F195-R199 PolarHBondContact O-N 3.22Å
196W96.4Very high94.8Very high187 Ų187110.8 Ų110.871%0.70854%0.535SS*.Hα-helixtrans-59.1-47.2174.8-179.4-84.5000111.9C192 I193 M198 R199 H200C192-W196 WeakPolarHBondContact O-CB 3.47Å; C192-W196 PolarHBondContact O-N 3.17Å; I193-W196 WeakPolarHBondContact O-CB 3.45Å; I193-W196 PolarHBondContact O-N 3.25Å; W196-M198 PolarHBondContact O-N 3.4Å; W196-R199 PolarHBondContact O-N 3.47Å; W196-H200 WeakPolarHBondContact O-CB 3.16Å; W196-H200 PolarHBondContact O-N 3.29Å
197Q95.5Very high94.2Very high114 Ų114108.8 Ų108.853%0.53354%0.541SS..Hα-helixtrans-59.9-45.2177.3-74.6-178.29.500111.8I193 G194 R199 H200 L201I193-Q197 HydrophobicContact CG2-CG 4.37Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.43Å; G194-Q197 PolarHBondContact O-N 2.99Å; Q197-R199 VanDerWaalsContact C-N 3.34Å; Q197-R199 PolarHBondContact O-N 2.92Å; Q197-H200 PolarHBondContact O-N 3.49Å; Q197-L201 WeakPolarHBondContact O-CB 3.48Å; Q197-L201 WeakPolarHBondContact O-CG 3.5Å; Q197-L201 PolarHBondContact O-N 3.28Å
198M95.2Very high93.5Very high107 Ų107110.2 Ų110.253%0.52754%0.542SS..Hα-helixtrans-61.4-42.1177.2-71.8-63.8-72.100112.1G194 F195 W196 R202G194-M198 WeakPolarHBondContact O-CG 3.4Å; G194-M198 PolarHBondContact O-N 3.45Å; F195-M198 PolarHBondContact O-N 3Å; W196-M198 PolarHBondContact O-N 3.4Å; M198-R202 WeakPolarHBondContact O-CG 3.4Å; M198-R202 PolarHBondContact O-N 2.99Å
199R94.2Very high92.3Very high178 Ų178115.4 Ų115.467%0.67256%0.558SS**Hα-helixtrans-65-43.5175.9-177.5178.2167.7133.6-1.2111.6F195 W196 Q197 R202 A203F195-R199 PolarHBondContact O-N 3.22Å; W196-R199 PolarHBondContact O-N 3.47Å; Q197-R199 VanDerWaalsContact C-N 3.34Å; Q197-R199 PolarHBondContact O-N 2.92Å; R199-R202 PolarHBondContact O-N 3.27Å; R199-A203 PolarHBondContact O-N 3.37Å
200H91.6Very high90.6Very high117 Ų117116.1 Ų116.154%0.54256%0.562SS.*Hα-helixtrans-62.2-46.2177.2178.9-89000111.9W196 Q197 R202 A203 F204W196-H200 WeakPolarHBondContact O-CB 3.16Å; W196-H200 PolarHBondContact O-N 3.29Å; Q197-H200 PolarHBondContact O-N 3.49Å; H200-R202 PolarHBondContact O-N 3.43Å; H200-A203 PolarHBondContact O-N 3.03Å; H200-F204 WeakPolarHBondContact O-CB 3.36Å; H200-F204 PolarHBondContact O-N 2.87Å
201L91.6Very high88.3Confident84 Ų84121.5 Ų121.544%0.4460%0.599SS.*Hα-helixtrans-61.2-44.1176.6-74.4171.9000111.8Q197 A203 F204 F205Q197-L201 WeakPolarHBondContact O-CB 3.48Å; Q197-L201 WeakPolarHBondContact O-CG 3.5Å; Q197-L201 PolarHBondContact O-N 3.28Å; L201-A203 PolarHBondContact O-N 2.88Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 3.44Å; L201-F205 WeakPolarHBondContact O-CD2 3.4Å; L201-F205 PolarHBondContact O-N 2.99Å
202R91.5Very high87.8Confident172 Ų172122.2 Ų122.265%0.64960%0.601SS**Hα-helixtrans-59.9-45.1175.3-76-178.7179.3-175.20.8112.1M198 R199 H200 F204 F205 Q206M198-R202 WeakPolarHBondContact O-CG 3.4Å; M198-R202 PolarHBondContact O-N 2.99Å; R199-R202 PolarHBondContact O-N 3.27Å; H200-R202 PolarHBondContact O-N 3.43Å; R202-F204 VanDerWaalsContact C-N 3.31Å; R202-F204 PolarHBondContact O-N 3.47Å; R202-F205 PolarHBondContact O-N 3.01Å; R202-Q206 WeakPolarHBondContact O-CB 3.36Å; R202-Q206 VanDerWaalsContact O-CG 3.32Å; R202-Q206 WeakPolarHBondContact O-CG 3.32Å; R202-Q206 PolarHBondContact O-N 3.21Å
203A90Very high87.3Confident51 Ų51124.5 Ų124.542%0.42161%0.605SS.*Hα-helixtrans-62.2-38.9176.400000112R199 H200 L201 A207R199-A203 PolarHBondContact O-N 3.37Å; H200-A203 PolarHBondContact O-N 3.03Å; L201-A203 PolarHBondContact O-N 2.88Å; A203-A207 WeakPolarHBondContact O-CB 3.46Å; A203-A207 PolarHBondContact O-N 3.33Å
204F89.6Confident86.8Confident90 Ų90127.3 Ų127.340%0.39562%0.617SS.*Hα-helixtrans-63.7-45.8176.3179.7-94.3000112.7H200 L201 R202 A207 K208H200-F204 WeakPolarHBondContact O-CB 3.36Å; H200-F204 PolarHBondContact O-N 2.87Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 3.44Å; R202-F204 VanDerWaalsContact C-N 3.31Å; R202-F204 PolarHBondContact O-N 3.47Å; F204-A207 PolarHBondContact O-N 3.09Å; F204-K208 HydrophobicContact CE1-CD 4.09Å; F204-K208 HydrophobicContact CE2-CD 3.99Å; F204-K208 HydrophobicContact CZ-CD 3.64Å; F204-K208 PolarHBondContact O-N 3.41Å; F204-K208 VanDerWaalsContact O-N 3.09Å
205F90.1Very high86.2Confident116 Ų116133 Ų13351%0.50964%0.636SS.*Hα-helixtrans-65.9-40.7176.9-75.3-64.5000112.4L201 R202 A207 K208 K209L201-F205 WeakPolarHBondContact O-CD2 3.4Å; L201-F205 PolarHBondContact O-N 2.99Å; R202-F205 PolarHBondContact O-N 3.01Å; F205-A207 PolarHBondContact O-N 3.48Å; F205-K208 PolarHBondContact O-N 2.97Å; F205-K209 PolarHBondContact O-N 3Å
206Q87.7Confident85.5Confident153 Ų153131.9 Ų131.972%0.71563%0.634SS**Hα-helixtrans-61.3-42.9174.8-75177.5-13.700112.2R202R202-Q206 WeakPolarHBondContact O-CB 3.36Å; R202-Q206 VanDerWaalsContact O-CG 3.32Å; R202-Q206 WeakPolarHBondContact O-CG 3.32Å; R202-Q206 PolarHBondContact O-N 3.21Å
207A86Confident84.8Confident85 Ų85128.3 Ų128.370%0.70263%0.629SS**Hα-helixtrans-67.2-35178.800000112.8A203 F204 F205A203-A207 WeakPolarHBondContact O-CB 3.46Å; A203-A207 PolarHBondContact O-N 3.33Å; F204-A207 PolarHBondContact O-N 3.09Å; F205-A207 PolarHBondContact O-N 3.48Å
208K82.6Confident84Confident128 Ų128129.3 Ų129.356%0.55764%0.636SS**Hα-helixtrans-92.22.4-176.3-73.7-158.6176.1-171.50115.8F204 F205 L210F204-K208 HydrophobicContact CE1-CD 4.09Å; F204-K208 HydrophobicContact CE2-CD 3.99Å; F204-K208 HydrophobicContact CZ-CD 3.64Å; F204-K208 PolarHBondContact O-N 3.41Å; F204-K208 VanDerWaalsContact O-N 3.09Å; F205-K208 PolarHBondContact O-N 2.97Å; K208-L210 HydrophobicContact CB-CD1 4.26Å; K208-L210 PolarHBondContact O-N 3.45Å
209K73.9Confident83.1Confident191 Ų191131 Ų13183%0.8365%0.645SS**THydrogen-bonded Turntrans42.840.6178.1-72.3-171.4177-177.90113.6F205 V211F205-K209 PolarHBondContact O-N 3Å; K209-V211 VanDerWaalsContact C-N 3.27Å; K209-V211 PolarHBondContact O-N 3.01Å
210L61.8Low82.2Confident123 Ų123127.1 Ų127.164%0.64464%0.642SS**  trans-88.576.9170.7-85151.8000107.5K208K208-L210 HydrophobicContact CB-CD1 4.26Å; K208-L210 PolarHBondContact O-N 3.45Å
211V50.1Low81.4Confident215 Ų215128 Ų128100%1.30365%0.651SS**  trans57.90-178.7174.60000115.5K209K209-V211 VanDerWaalsContact C-N 3.27Å; K209-V211 PolarHBondContact O-N 3.01Å

Retrieved 211 of 211 residues in 186.3 ms (Link to these results)

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