A0A077Z9Q2_TRITR Loading...

HLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Q2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 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
1M69.2Low72Confident241 Ų241137.1 Ų137.1100%1.18768%0.682SS**  0126.70-68.1-166.3-79.100108.4
2S85.7Confident70.9Confident67 Ų67133.9 Ų133.947%0.46968%0.676SS.*  trans-84.1145.4-177.6175.40000111.5K4 S5 F6S2-K4 PolarHBondContact O-N 3.16Å; S2-K4 VanDerWaalsContact O-N 3.13Å; S2-K4 PolarHBondContact OG-N 3.07Å; S2-S5 WeakPolarHBondContact O-CA 3.32Å; S2-S5 WeakPolarHBondContact O-CB 3.27Å; S2-S5 PolarHBondContact O-N 3.43Å; S2-F6 PolarHBondContact O-N 3.4Å
3L77.4Confident70.3Confident137 Ų137131.8 Ų131.872%0.71767%0.668SS**Hα-helixtrans-51.8-31.7170.5-83.5157.5000112.4F6 L7L3-F6 PolarHBondContact O-N 3.14Å; L3-L7 WeakPolarHBondContact O-CB 3.45Å; L3-L7 PolarHBondContact O-N 3Å
4K76.7Confident70.1Confident166 Ų166132.3 Ų132.372%0.72269%0.687SS**Hα-helixtrans-65-42.6173.9-73.2-176.1177.8-177.70112.1S2 F6 L8S2-K4 PolarHBondContact O-N 3.16Å; S2-K4 VanDerWaalsContact O-N 3.13Å; S2-K4 PolarHBondContact OG-N 3.07Å; K4-F6 VanDerWaalsContact C-N 3.34Å; K4-L8 WeakPolarHBondContact O-CB 3.48Å; K4-L8 PolarHBondContact O-N 3.38Å
5S73.1Confident70.7Confident77 Ų77126.3 Ų126.354%0.53866%0.658SS.*Hα-helixtrans-66.5-37.5174.4-63.40000111.6S2 L8 L9S2-S5 WeakPolarHBondContact O-CA 3.32Å; S2-S5 WeakPolarHBondContact O-CB 3.27Å; S2-S5 PolarHBondContact O-N 3.43Å; S5-L8 PolarHBondContact O-N 3.06Å; S5-L9 WeakPolarHBondContact O-CB 3.49Å; S5-L9 PolarHBondContact O-N 3.19Å
6F74.9Confident71.8Confident119 Ų119122.6 Ų122.652%0.52265%0.647SS.*Hα-helixtrans-66.9-44.4176.5-174.3-101.4000112.1S2 L3 K4 L8 L9 M10S2-F6 PolarHBondContact O-N 3.4Å; L3-F6 PolarHBondContact O-N 3.14Å; K4-F6 VanDerWaalsContact C-N 3.34Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 3.46Å; F6-L9 PolarHBondContact O-N 3.38Å; F6-M10 HydrophobicContact CD1-CG 4.28Å; F6-M10 HydrophobicContact CE1-CE 4.34Å; F6-M10 HydrophobicContact CE1-CG 3.9Å; F6-M10 HydrophobicContact CZ-CE 4.06Å; F6-M10 HydrophobicContact CZ-CG 4.04Å; F6-M10 HydrophobicContact CZ-SD 4.46Å; F6-M10 WeakPolarHBondContact O-CG 3.46Å; F6-M10 PolarHBondContact O-N 3.22Å
7L72.2Confident72.8Confident119 Ų119118.8 Ų118.862%0.62364%0.637SS**Hα-helixtrans-63-38.8174-92.1160.4000112.2L3 M10 R11L3-L7 WeakPolarHBondContact O-CB 3.45Å; L3-L7 PolarHBondContact O-N 3Å; L7-M10 PolarHBondContact O-N 3.05Å; L7-R11 WeakPolarHBondContact O-CB 3.15Å; L7-R11 PolarHBondContact O-N 2.99Å
8L69.1Low73.9Confident133 Ų133114.5 Ų114.570%0.69662%0.62SS**Hα-helixtrans-64.3-38.9174.3-110.2137000112.3K4 S5 F6 R11K4-L8 WeakPolarHBondContact O-CB 3.48Å; K4-L8 PolarHBondContact O-N 3.38Å; S5-L8 PolarHBondContact O-N 3.06Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 3.46Å; L8-R11 CarbonylContact O-C 3.48Å; L8-R11 PolarHBondContact O-N 3.1Å
9L64.6Low74.9Confident120 Ų120111.9 Ų111.963%0.62860%0.604SS**Hα-helixtrans-71.3-35.4175.9-165.371.3000111.8S5 F6 R11 T12S5-L9 WeakPolarHBondContact O-CB 3.49Å; S5-L9 PolarHBondContact O-N 3.19Å; F6-L9 PolarHBondContact O-N 3.38Å; L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 3.31Å; L9-T12 HydrophobicContact CD1-CG2 4.3Å; L9-T12 WeakPolarHBondContact O-CB 3.48Å; L9-T12 WeakPolarHBondContact O-CG2 3.23Å; L9-T12 PolarHBondContact O-N 2.72Å; L9-T12 VanDerWaalsContact O-N 3.11Å; L9-T12 PolarHBondContact O-OG1 3.05Å
10M67.1Low75.7Confident136 Ų136113 Ų11367%0.6760%0.599SS**Hα-helixtrans-73.7-18.9172.1-71.1-65.7-117.800112.8F6 L7 T12F6-M10 HydrophobicContact CD1-CG 4.28Å; F6-M10 HydrophobicContact CE1-CE 4.34Å; F6-M10 HydrophobicContact CE1-CG 3.9Å; F6-M10 HydrophobicContact CZ-CE 4.06Å; F6-M10 HydrophobicContact CZ-CG 4.04Å; F6-M10 HydrophobicContact CZ-SD 4.46Å; F6-M10 WeakPolarHBondContact O-CG 3.46Å; F6-M10 PolarHBondContact O-N 3.22Å; L7-M10 PolarHBondContact O-N 3.05Å; M10-T12 PolarHBondContact O-N 3.23Å
11R61.6Low76.6Confident193 Ų193115 Ų11573%0.72860%0.598SS**THydrogen-bonded Turntrans-83.117166.5-123.4-174.5-163.3177.84.6112.5L7 L8 L9 D13L7-R11 WeakPolarHBondContact O-CB 3.15Å; L7-R11 PolarHBondContact O-N 2.99Å; L8-R11 CarbonylContact O-C 3.48Å; L8-R11 PolarHBondContact O-N 3.1Å; L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 3.31Å; R11-D13 PolarHBondContact O-N 2.65Å
12T59.3Low77.8Confident99 Ų99111.5 Ų111.561%0.60757%0.571SS**  trans-59.487.3162.4500000107.1L9 M10 C14L9-T12 HydrophobicContact CD1-CG2 4.3Å; L9-T12 WeakPolarHBondContact O-CB 3.48Å; L9-T12 WeakPolarHBondContact O-CG2 3.23Å; L9-T12 PolarHBondContact O-N 2.72Å; L9-T12 VanDerWaalsContact O-N 3.11Å; L9-T12 PolarHBondContact O-OG1 3.05Å; M10-T12 PolarHBondContact O-N 3.23Å; T12-C14 PolarHBondContact O-N 3.38Å
13D63.8Low78.1Confident107 Ų107113 Ų11357%0.57257%0.573SS**  trans-56.3113.3-179.2-75-39.8000105.6R11 T15R11-D13 PolarHBondContact O-N 2.65Å; D13-T15 HydrophobicContact CB-CG2 3.81Å; D13-T15 WeakPolarHBondContact CB-OG1 3.34Å; D13-T15 PolarHBondContact O-N 2.9Å; D13-T15 PolarHBondContact O-OG1 3.31Å
14C66.7Low78.8Confident138 Ų138111.8 Ų111.893%0.93256%0.564SS**  trans-59.210.9168.2430000112.7T12 S16T12-C14 PolarHBondContact O-N 3.38Å; C14-S16 PolarHBondContact O-N 2.82Å
15T79Confident79.8Confident43 Ų43111 Ų11126%0.26456%0.556SS.*  trans-43.9128.5163.551.30000111.4D13 E19 R20D13-T15 HydrophobicContact CB-CG2 3.81Å; D13-T15 WeakPolarHBondContact CB-OG1 3.34Å; D13-T15 PolarHBondContact O-N 2.9Å; D13-T15 PolarHBondContact O-OG1 3.31Å; T15-E19 HydrophobicContact CG2-CB 4.43Å; T15-E19 HydrophobicContact CG2-CG 4.07Å; T15-R20 PolarHBondContact O-NH1 3.03Å; T15-R20 PolarHBondContact OG1-NH1 3.48Å
16S87.8Confident80.8Confident67 Ų67109.5 Ų109.547%0.46955%0.549SS..  trans-64.1156.8173.471.10000110.5C14 A18 E19 R20C14-S16 PolarHBondContact O-N 2.82Å; S16-A18 PolarHBondContact O-N 3.36Å; S16-A18 VanDerWaalsContact O-N 3.15Å; S16-E19 PolarHBondContact O-N 3.43Å; S16-E19 PolarHBondContact OG-N 3.2Å; S16-E19 VanDerWaalsContact OG-N 3.15Å; S16-R20 PolarHBondContact O-N 3.42Å; S16-R20 VanDerWaalsContact O-N 3.07Å
17A89.7Confident81.8Confident58 Ų58105.8 Ų105.848%0.47954%0.537SS..Hα-helixtrans-58.5-26.8173.100000112.6R21A17-R21 WeakPolarHBondContact O-CG 3.36Å; A17-R21 PolarHBondContact O-N 3.49Å; A17-R21 PolarHBondContact O-NE 3.4Å
18A93.1Very high83Confident41 Ų41106 Ų10634%0.33954%0.539SS..Hα-helixtrans-66.9-41.9172.200000111.7S16 R21 R22S16-A18 PolarHBondContact O-N 3.36Å; S16-A18 VanDerWaalsContact O-N 3.15Å; A18-R21 PolarHBondContact O-N 3.49Å; A18-R22 WeakPolarHBondContact O-CG 3.36Å; A18-R22 PolarHBondContact O-N 3Å
19E92.2Very high84.3Confident65 Ų65103.6 Ų103.630%0.30453%0.531SS..Hα-helixtrans-68.1-42.5179.8-166.853.2-144.500111.9T15 S16 R21 R22 I23T15-E19 HydrophobicContact CG2-CB 4.43Å; T15-E19 HydrophobicContact CG2-CG 4.07Å; S16-E19 PolarHBondContact O-N 3.43Å; S16-E19 PolarHBondContact OG-N 3.2Å; S16-E19 VanDerWaalsContact OG-N 3.15Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.31Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 3.48Å; E19-R22 WeakPolarHBondContact OE2-CD 3.37Å; E19-R22 IonicContact OE2-NH1 3.37Å; E19-R22 PolarHBondContact OE2-NH1 2.92Å; E19-I23 HydrophobicContact CG-CD1 4.22Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-I23 PolarHBondContact O-N 2.92Å
20R91.1Very high85.9Confident134 Ų134100.5 Ų100.551%0.50651%0.511SS..Hα-helixtrans-56.7-41.3171.9-73.3-168.1-74.5-82.5-0.2112.6T15 S16 H24T15-R20 PolarHBondContact O-NH1 3.03Å; T15-R20 PolarHBondContact OG1-NH1 3.48Å; S16-R20 PolarHBondContact O-N 3.42Å; S16-R20 VanDerWaalsContact O-N 3.07Å; R20-H24 WeakPolarHBondContact O-CB 3.29Å; R20-H24 PolarHBondContact O-N 3.45Å
21R93.8Very high87.4Confident154 Ų154100.9 Ų100.958%0.58151%0.505SS*.Hα-helixtrans-65-38.7175.2-75.1-175.4-68.5177.80.3112.1A17 A18 E19 R25A17-R21 WeakPolarHBondContact O-CG 3.36Å; A17-R21 PolarHBondContact O-N 3.49Å; A17-R21 PolarHBondContact O-NE 3.4Å; A18-R21 PolarHBondContact O-N 3.49Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.31Å; R21-R25 WeakPolarHBondContact O-CB 3.45Å; R21-R25 WeakPolarHBondContact O-CG 3.31Å; R21-R25 PolarHBondContact O-N 3.42Å
22R94.3Very high89.1Confident168 Ų16898 Ų9863%0.63450%0.5SS*.Hα-helixtrans-64.3-50.2175.7-74.5176.3177.1166.6-3.2111.6A18 E19 H24 R25 A26A18-R22 WeakPolarHBondContact O-CG 3.36Å; A18-R22 PolarHBondContact O-N 3Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 3.48Å; E19-R22 WeakPolarHBondContact OE2-CD 3.37Å; E19-R22 IonicContact OE2-NH1 3.37Å; E19-R22 PolarHBondContact OE2-NH1 2.92Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.44Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å; R22-A26 WeakPolarHBondContact O-CB 3.38Å; R22-A26 PolarHBondContact O-N 3.05Å
23I91.9Very high90.9Very high98 Ų9896.8 Ų96.850%0.50349%0.492SS..Hα-helixtrans-58.5-46.8178.2-65.7168.8000110.6E19 R25 A26 S27E19-I23 HydrophobicContact CG-CD1 4.22Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-I23 PolarHBondContact O-N 2.92Å; I23-R25 PolarHBondContact O-N 3.41Å; I23-A26 WeakPolarHBondContact O-CB 3.28Å; I23-A26 PolarHBondContact O-N 3.32Å; I23-A26 VanDerWaalsContact O-N 3.11Å; I23-S27 PolarHBondContact O-N 3.3Å
24H93.9Very high92.6Very high112 Ų11295.2 Ų95.252%0.51948%0.481SS..Hα-helixtrans-60.1-44.6176.3178.6-93.8000112.2R20 R22 A26 S27 Y30R20-H24 WeakPolarHBondContact O-CB 3.29Å; R20-H24 PolarHBondContact O-N 3.45Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.44Å; H24-A26 PolarHBondContact O-N 2.94Å; H24-S27 VanDerWaalsContact O-CB 3.28Å; H24-S27 WeakPolarHBondContact O-CB 3.49Å; H24-S27 PolarHBondContact O-N 2.94Å; H24-S27 VanDerWaalsContact O-N 3.11Å; H24-S27 PolarHBondContact O-OG 3.2Å; H24-Y30 AromaticContact CE1-CD2 3.22Å; H24-Y30 WeakPolarHBondContact CE1-CD2 3.39Å; H24-Y30 AromaticContact CE1-CE2 3.75Å; H24-Y30 AromaticContact ND1-CD2 3.45Å; H24-Y30 WeakPolarHBondContact ND1-CD2 3.32Å; H24-Y30 AromaticContact ND1-CE2 3.81Å; H24-Y30 WeakPolarHBondContact O-CB 3.44Å
25R95.9Very high94.1Very high149 Ų14990.6 Ų90.656%0.56245%0.453SS*.Hα-helixtrans-65.1-27.1175.9-74177.1172.7177.30.9113.3R21 R22 I23 Y30R21-R25 WeakPolarHBondContact O-CB 3.45Å; R21-R25 WeakPolarHBondContact O-CG 3.31Å; R21-R25 PolarHBondContact O-N 3.42Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å; I23-R25 PolarHBondContact O-N 3.41Å; R25-Y30 VanDerWaalsContact CA-CD1 3.44Å; R25-Y30 HydrophobicContact CB-CD1 4.15Å; R25-Y30 HydrophobicContact CB-CE1 3.87Å; R25-Y30 HydrophobicContact CG-CD1 4.25Å; R25-Y30 HydrophobicContact CG-CE1 3.58Å; R25-Y30 HydrophobicContact CG-CE2 4.38Å; R25-Y30 WeakPolarHBondContact O-CD1 3.46Å
26A95.5Very high95Very high47 Ų4792.4 Ų92.439%0.38846%0.461SS..Hα-helixtrans-79.5-18.817500000113.1R22 I23 H24 R31R22-A26 WeakPolarHBondContact O-CB 3.38Å; R22-A26 PolarHBondContact O-N 3.05Å; I23-A26 WeakPolarHBondContact O-CB 3.28Å; I23-A26 PolarHBondContact O-N 3.32Å; I23-A26 VanDerWaalsContact O-N 3.11Å; H24-A26 PolarHBondContact O-N 2.94Å; A26-R31 VanDerWaalsContact O-CZ 3.29Å; A26-R31 PolarHBondContact O-NE 3.34Å
27S96Very high95.5Very high40 Ų4096.5 Ų96.528%0.2847%0.467SS..SBendtrans-62143.2179.977.70000112.1I23 H24 Y30 R31I23-S27 PolarHBondContact O-N 3.3Å; H24-S27 VanDerWaalsContact O-CB 3.28Å; H24-S27 WeakPolarHBondContact O-CB 3.49Å; H24-S27 PolarHBondContact O-N 2.94Å; H24-S27 VanDerWaalsContact O-N 3.11Å; H24-S27 PolarHBondContact O-OG 3.2Å; S27-Y30 PolarHBondContact O-N 3.47Å; S27-Y30 VanDerWaalsContact OG-CB 3.3Å; S27-Y30 WeakPolarHBondContact OG-CB 3.43Å; S27-Y30 PolarHBondContact OG-N 2.96Å; S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 3.18Å; S27-R31 VanDerWaalsContact O-N 3.12Å
28L96.9Very high95.9Very high124 Ų12498 Ų9865%0.64946%0.464SS*.Hα-helixtrans-58.5-45.5178.3-63.6174.2000112.9Y30 R31 Q32L28-Y30 VanDerWaalsContact C-N 3.33Å; L28-Y30 PolarHBondContact O-N 3.27Å; L28-R31 PolarHBondContact O-N 3.31Å; L28-Q32 WeakPolarHBondContact O-CB 3.5Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.24Å
29P97Very high96.2Very high83 Ų83104.4 Ų104.454%0.53948%0.479SS..Hα-helixtrans-60-42.5179.9-2435.3000112.4Q32 V33P29-Q32 PolarHBondContact O-N 3.25Å; P29-V33 WeakPolarHBondContact O-CG2 3.41Å; P29-V33 PolarHBondContact O-N 3.03Å
30Y97.3Very high96.5Very high55 Ų55105.7 Ų105.722%0.21649%0.488CS..Hα-helixtrans-60.8-49.2176.5-178.9-92.7000111.6H24 R25 S27 L28 Q32 V33 H34H24-Y30 AromaticContact CE1-CD2 3.22Å; H24-Y30 WeakPolarHBondContact CE1-CD2 3.39Å; H24-Y30 AromaticContact CE1-CE2 3.75Å; H24-Y30 AromaticContact ND1-CD2 3.45Å; H24-Y30 WeakPolarHBondContact ND1-CD2 3.32Å; H24-Y30 AromaticContact ND1-CE2 3.81Å; H24-Y30 WeakPolarHBondContact O-CB 3.44Å; R25-Y30 VanDerWaalsContact CA-CD1 3.44Å; R25-Y30 HydrophobicContact CB-CD1 4.15Å; R25-Y30 HydrophobicContact CB-CE1 3.87Å; R25-Y30 HydrophobicContact CG-CD1 4.25Å; R25-Y30 HydrophobicContact CG-CE1 3.58Å; R25-Y30 HydrophobicContact CG-CE2 4.38Å; R25-Y30 WeakPolarHBondContact O-CD1 3.46Å; S27-Y30 PolarHBondContact O-N 3.47Å; S27-Y30 VanDerWaalsContact OG-CB 3.3Å; S27-Y30 WeakPolarHBondContact OG-CB 3.43Å; S27-Y30 PolarHBondContact OG-N 2.96Å; L28-Y30 VanDerWaalsContact C-N 3.33Å; L28-Y30 PolarHBondContact O-N 3.27Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.33Å; Y30-V33 PolarHBondContact O-N 3.14Å; Y30-H34 AromaticContact CD1-CD2 3.7Å; Y30-H34 AromaticContact CD2-CD2 3.74Å; Y30-H34 AromaticContact CD2-NE2 3.91Å; Y30-H34 AromaticContact CE1-CD2 3.36Å; Y30-H34 WeakPolarHBondContact CE1-CD2 3.46Å; Y30-H34 AromaticContact CE1-CG 3.97Å; Y30-H34 AromaticContact CE1-NE2 3.64Å; Y30-H34 AromaticContact CE2-CD2 3.42Å; Y30-H34 VanDerWaalsContact CE2-CD2 3.42Å; Y30-H34 WeakPolarHBondContact CE2-CD2 3.39Å; Y30-H34 AromaticContact CE2-NE2 3.13Å; Y30-H34 WeakPolarHBondContact CE2-NE2 3.48Å; Y30-H34 AromaticContact CG-CD2 3.92Å; Y30-H34 AromaticContact CZ-CD2 3.23Å; Y30-H34 AromaticContact CZ-CE1 3.75Å; Y30-H34 AromaticContact CZ-NE2 2.98Å; Y30-H34 WeakPolarHBondContact O-CB 3.47Å; Y30-H34 PolarHBondContact O-CD2 3Å; Y30-H34 VanDerWaalsContact O-CD2 3.3Å; Y30-H34 PolarHBondContact O-N 3.24Å; Y30-H34 PolarHBondContact OH-CE1 2.77Å; Y30-H34 PolarHBondContact OH-NE2 3.25Å
31R97.8Very high96.8Very high143 Ų143106 Ų10654%0.5449%0.489SS..Hα-helixtrans-61.3-39.6179.7-69.8177178.2-177.62.8111.9A26 S27 L28 H34 A35A26-R31 VanDerWaalsContact O-CZ 3.29Å; A26-R31 PolarHBondContact O-NE 3.34Å; S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 3.18Å; S27-R31 VanDerWaalsContact O-N 3.12Å; L28-R31 PolarHBondContact O-N 3.31Å; R31-H34 PolarHBondContact O-N 3.01Å; R31-A35 VanDerWaalsContact O-CB 3.25Å; R31-A35 WeakPolarHBondContact O-CB 3.42Å; R31-A35 PolarHBondContact O-N 3.28Å
32Q98.3Very high97.1Very high132 Ų132101.3 Ų101.362%0.61748%0.477SS*.Hα-helixtrans-64.4-47.3177.5-75.1173.9-23.400112.2L28 P29 Y30 H34 A35 N36L28-Q32 WeakPolarHBondContact O-CB 3.5Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.24Å; P29-Q32 PolarHBondContact O-N 3.25Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.33Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3.19Å; Q32-A35 PolarHBondContact O-N 3.37Å; Q32-N36 WeakPolarHBondContact O-CB 3.43Å; Q32-N36 PolarHBondContact O-N 3Å
33V97.9Very high97.3Very high74 Ų7499.4 Ų99.445%0.44848%0.475SS..Hα-helixtrans-60.8-43.8176.6172.10000110.8P29 Y30 N36 R37P29-V33 WeakPolarHBondContact O-CG2 3.41Å; P29-V33 PolarHBondContact O-N 3.03Å; Y30-V33 PolarHBondContact O-N 3.14Å; V33-N36 PolarHBondContact O-N 3.39Å; V33-R37 WeakPolarHBondContact O-CG 3.37Å; V33-R37 PolarHBondContact O-N 3.14Å
34H97.5Very high97.6Very high74 Ų7498.7 Ų98.734%0.34348%0.479SS..Hα-helixtrans-65.7-43.2177.5-88-88.5000113Y30 R31 Q32 N36 R37 E38Y30-H34 AromaticContact CD1-CD2 3.7Å; Y30-H34 AromaticContact CD2-CD2 3.74Å; Y30-H34 AromaticContact CD2-NE2 3.91Å; Y30-H34 AromaticContact CE1-CD2 3.36Å; Y30-H34 WeakPolarHBondContact CE1-CD2 3.46Å; Y30-H34 AromaticContact CE1-CG 3.97Å; Y30-H34 AromaticContact CE1-NE2 3.64Å; Y30-H34 AromaticContact CE2-CD2 3.42Å; Y30-H34 VanDerWaalsContact CE2-CD2 3.42Å; Y30-H34 WeakPolarHBondContact CE2-CD2 3.39Å; Y30-H34 AromaticContact CE2-NE2 3.13Å; Y30-H34 WeakPolarHBondContact CE2-NE2 3.48Å; Y30-H34 AromaticContact CG-CD2 3.92Å; Y30-H34 AromaticContact CZ-CD2 3.23Å; Y30-H34 AromaticContact CZ-CE1 3.75Å; Y30-H34 AromaticContact CZ-NE2 2.98Å; Y30-H34 WeakPolarHBondContact O-CB 3.47Å; Y30-H34 PolarHBondContact O-CD2 3Å; Y30-H34 VanDerWaalsContact O-CD2 3.3Å; Y30-H34 PolarHBondContact O-N 3.24Å; Y30-H34 PolarHBondContact OH-CE1 2.77Å; Y30-H34 PolarHBondContact OH-NE2 3.25Å; R31-H34 PolarHBondContact O-N 3.01Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3.19Å; H34-N36 VanDerWaalsContact C-N 3.31Å; H34-N36 PolarHBondContact O-N 3.43Å; H34-R37 PolarHBondContact O-N 2.98Å; H34-E38 PolarHBondContact O-N 2.81Å
35A98.3Very high97.8Very high41 Ų4198 Ų9834%0.33948%0.475SS..Hα-helixtrans-61.8-40.1174.800000111.6R31 Q32 E38 R39R31-A35 VanDerWaalsContact O-CB 3.25Å; R31-A35 WeakPolarHBondContact O-CB 3.42Å; R31-A35 PolarHBondContact O-N 3.28Å; Q32-A35 PolarHBondContact O-N 3.37Å; A35-E38 PolarHBondContact O-N 3.08Å; A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 2.94Å
36N98.4Very high97.9Very high82 Ų8294.1 Ų94.144%0.43947%0.465SS..Hα-helixtrans-63.5-45176.3-17060000112.1Q32 V33 H34 E38 R39 L40Q32-N36 WeakPolarHBondContact O-CB 3.43Å; Q32-N36 PolarHBondContact O-N 3Å; V33-N36 PolarHBondContact O-N 3.39Å; H34-N36 VanDerWaalsContact C-N 3.31Å; H34-N36 PolarHBondContact O-N 3.43Å; N36-E38 VanDerWaalsContact C-N 3.28Å; N36-E38 PolarHBondContact O-N 3.13Å; N36-R39 PolarHBondContact O-N 3.17Å; N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 3.34Å
37R98.6Very high98Very high153 Ų15398.1 Ų98.158%0.57748%0.476SS*.Hα-helixtrans-57.6-42.8174.8-72.7173.2-179.8-173.3-0.6111.8V33 H34 L40 R41V33-R37 WeakPolarHBondContact O-CG 3.37Å; V33-R37 PolarHBondContact O-N 3.14Å; H34-R37 PolarHBondContact O-N 2.98Å; R37-L40 PolarHBondContact O-N 3.33Å; R37-R41 PolarHBondContact O-N 2.77Å
38E98.5Very high98.2Very high90 Ų9098.7 Ų98.742%0.42148%0.483SS..Hα-helixtrans-67.3-37.9179.4-177.258.3-168.900112.4H34 A35 N36 R41 V42H34-E38 PolarHBondContact O-N 2.81Å; A35-E38 PolarHBondContact O-N 3.08Å; N36-E38 VanDerWaalsContact C-N 3.28Å; N36-E38 PolarHBondContact O-N 3.13Å; E38-R41 WeakPolarHBondContact O-CB 3.25Å; E38-R41 PolarHBondContact O-N 3.08Å; E38-R41 IonicContact OE1-CZ 3.36Å; E38-R41 IonicContact OE1-NE 3.3Å; E38-R41 PolarHBondContact OE1-NE 2.94Å; E38-R41 IonicContact OE1-NH2 2.64Å; E38-R41 PolarHBondContact OE1-NH2 3.05Å; E38-R41 IonicContact OE2-CZ 3.67Å; E38-R41 IonicContact OE2-NE 2.81Å; E38-R41 PolarHBondContact OE2-NE 2.96Å; E38-R41 IonicContact OE2-NH2 3.68Å; E38-V42 WeakPolarHBondContact O-CG2 3.41Å; E38-V42 PolarHBondContact O-N 2.87Å
39R98.7Very high98.2Very high174 Ų17494 Ų9466%0.65746%0.458SS*.Hα-helixtrans-59.8-47.3172.2-71.3173.7-167.1154.60.4111.7A35 N36 R41 V42 E43A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 2.94Å; N36-R39 PolarHBondContact O-N 3.17Å; R39-R41 VanDerWaalsContact C-N 3.3Å; R39-R41 PolarHBondContact O-N 2.87Å; R39-V42 PolarHBondContact O-N 3.36Å; R39-E43 WeakPolarHBondContact O-CB 3.32Å; R39-E43 PolarHBondContact O-N 3.22Å
40L98.7Very high98.2Very high93 Ų9395.3 Ų95.349%0.48746%0.456SS..Hα-helixtrans-61.1-39.7177.5-67.9172.5000111.9N36 R37 E43 S44N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 3.34Å; R37-L40 PolarHBondContact O-N 3.33Å; L40-E43 PolarHBondContact O-N 3.5Å; L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.34Å
41R98.7Very high98.2Very high140 Ų14098.2 Ų98.253%0.52847%0.472SS..Hα-helixtrans-61.3-45.5175.2-168.2-17170.876.2-1.3111.5R37 E38 R39 F45R37-R41 PolarHBondContact O-N 2.77Å; E38-R41 WeakPolarHBondContact O-CB 3.25Å; E38-R41 PolarHBondContact O-N 3.08Å; E38-R41 IonicContact OE1-CZ 3.36Å; E38-R41 IonicContact OE1-NE 3.3Å; E38-R41 PolarHBondContact OE1-NE 2.94Å; E38-R41 IonicContact OE1-NH2 2.64Å; E38-R41 PolarHBondContact OE1-NH2 3.05Å; E38-R41 IonicContact OE2-CZ 3.67Å; E38-R41 IonicContact OE2-NE 2.81Å; E38-R41 PolarHBondContact OE2-NE 2.96Å; E38-R41 IonicContact OE2-NH2 3.68Å; R39-R41 VanDerWaalsContact C-N 3.3Å; R39-R41 PolarHBondContact O-N 2.87Å; R41-F45 WeakPolarHBondContact O-CB 3.4Å; R41-F45 PolarHBondContact O-N 3.38Å; R41-F45 VanDerWaalsContact O-N 3.09Å
42V98.7Very high98.2Very high56 Ų5694 Ų9434%0.33946%0.46SS..Hα-helixtrans-67.8-37.8178171.40000111.6E38 R39 F45 N46E38-V42 WeakPolarHBondContact O-CG2 3.41Å; E38-V42 PolarHBondContact O-N 2.87Å; R39-V42 PolarHBondContact O-N 3.36Å; V42-F45 PolarHBondContact O-N 3.09Å; V42-N46 WeakPolarHBondContact O-CB 3.36Å; V42-N46 PolarHBondContact O-N 3.17Å; V42-N46 PolarHBondContact O-ND2 3.19Å
43E98.6Very high98.1Very high127 Ų12789.4 Ų89.459%0.59344%0.437SS*.Hα-helixtrans-62.3-49.7175.5-174.9-178.9178.500111.6R39 L40 F45 N46 H47R39-E43 WeakPolarHBondContact O-CB 3.32Å; R39-E43 PolarHBondContact O-N 3.22Å; L40-E43 PolarHBondContact O-N 3.5Å; E43-F45 VanDerWaalsContact C-N 3.28Å; E43-F45 PolarHBondContact O-N 3.35Å; E43-N46 PolarHBondContact O-N 3.04Å; E43-N46 VanDerWaalsContact O-N 3.08Å; E43-H47 PolarHBondContact O-N 3.23Å
44S98.4Very high98Very high84 Ų8490.7 Ų90.759%0.58745%0.445SS*.Hα-helixtrans-56-44.2174.6173.40000111.6L40 N46 H47 A48L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.34Å; S44-N46 PolarHBondContact O-N 3.35Å; S44-H47 PolarHBondContact O-N 2.98Å; S44-A48 PolarHBondContact O-N 3.37Å
45F98.3Very high98Very high96 Ų9692.9 Ų92.942%0.42146%0.459SS..Hα-helixtrans-63-42.4175.8-175.3-97.4000112.3R41 V42 E43 A48 F49 K67R41-F45 WeakPolarHBondContact O-CB 3.4Å; R41-F45 PolarHBondContact O-N 3.38Å; R41-F45 VanDerWaalsContact O-N 3.09Å; V42-F45 PolarHBondContact O-N 3.09Å; E43-F45 VanDerWaalsContact C-N 3.28Å; E43-F45 PolarHBondContact O-N 3.35Å; F45-A48 PolarHBondContact O-N 2.99Å; F45-F49 AromaticContact CD1-CD2 3.91Å; F45-F49 HydrophobicContact CD1-CD2 3.91Å; F45-F49 AromaticContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD2-CE2 4.42Å; F45-F49 AromaticContact CE1-CD2 3.63Å; F45-F49 HydrophobicContact CE1-CD2 3.63Å; F45-F49 AromaticContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CZ 4.05Å; F45-F49 HydrophobicContact CE2-CD2 4.47Å; F45-F49 AromaticContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CG-CD2 4.48Å; F45-F49 AromaticContact CZ-CD2 3.98Å; F45-F49 HydrophobicContact CZ-CD2 3.98Å; F45-F49 AromaticContact CZ-CE2 3.16Å; F45-F49 HydrophobicContact CZ-CE2 3.16Å; F45-F49 AromaticContact CZ-CZ 3.91Å; F45-F49 HydrophobicContact CZ-CZ 3.91Å; F45-F49 WeakPolarHBondContact O-CD2 3.49Å; F45-F49 PolarHBondContact O-N 2.99Å; F45-F49 VanDerWaalsContact O-N 3.17Å; F45-K67 HydrophobicContact CE1-CD 4.19Å
46N98.1Very high97.9Very high68 Ų6891.8 Ų91.836%0.36445%0.447SS..Hα-helixtrans-67.4-35.6178.3-69.7-21.6000112.3V42 E43 S44 A48 F49 Q50 K67V42-N46 WeakPolarHBondContact O-CB 3.36Å; V42-N46 PolarHBondContact O-N 3.17Å; V42-N46 PolarHBondContact O-ND2 3.19Å; E43-N46 PolarHBondContact O-N 3.04Å; E43-N46 VanDerWaalsContact O-N 3.08Å; S44-N46 PolarHBondContact O-N 3.35Å; N46-A48 VanDerWaalsContact C-N 3.35Å; N46-F49 WeakPolarHBondContact O-CB 3.42Å; N46-F49 PolarHBondContact O-N 2.83Å; N46-Q50 PolarHBondContact O-N 3.31Å; N46-K67 WeakPolarHBondContact OD1-CE 3.45Å; N46-K67 PolarHBondContact OD1-NZ 3.41Å
47H98.5Very high97.8Very high132 Ų13291.1 Ų91.161%0.61145%0.447SS*.Hα-helixtrans-59.2-46.5173.4-176.4-82.9000111E43 S44 F49 Q50 E51E43-H47 PolarHBondContact O-N 3.23Å; S44-H47 PolarHBondContact O-N 2.98Å; H47-F49 VanDerWaalsContact C-N 3.3Å; H47-F49 PolarHBondContact O-N 2.94Å; H47-Q50 WeakPolarHBondContact O-CB 3.45Å; H47-Q50 PolarHBondContact O-N 2.81Å; H47-E51 PolarHBondContact O-N 2.64Å
48A98.4Very high97.7Very high52 Ų5285.4 Ų85.443%0.4343%0.429SS..Hα-helixtrans-60.6-37.1175.700000112.8S44 F45 N46 Q50 L52S44-A48 PolarHBondContact O-N 3.37Å; F45-A48 PolarHBondContact O-N 2.99Å; N46-A48 VanDerWaalsContact C-N 3.35Å; A48-Q50 VanDerWaalsContact C-N 3.35Å; A48-L52 WeakPolarHBondContact O-CB 3.13Å; A48-L52 PolarHBondContact O-N 3.3Å
49F98.4Very high97.4Very high26 Ų2688.2 Ų88.211%0.11445%0.446CS..Hα-helixtrans-66.2-36.3173-92.7-95000112.9F45 N46 H47 R53 K67 I70 L71F45-F49 AromaticContact CD1-CD2 3.91Å; F45-F49 HydrophobicContact CD1-CD2 3.91Å; F45-F49 AromaticContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD2-CE2 4.42Å; F45-F49 AromaticContact CE1-CD2 3.63Å; F45-F49 HydrophobicContact CE1-CD2 3.63Å; F45-F49 AromaticContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CZ 4.05Å; F45-F49 HydrophobicContact CE2-CD2 4.47Å; F45-F49 AromaticContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CG-CD2 4.48Å; F45-F49 AromaticContact CZ-CD2 3.98Å; F45-F49 HydrophobicContact CZ-CD2 3.98Å; F45-F49 AromaticContact CZ-CE2 3.16Å; F45-F49 HydrophobicContact CZ-CE2 3.16Å; F45-F49 AromaticContact CZ-CZ 3.91Å; F45-F49 HydrophobicContact CZ-CZ 3.91Å; F45-F49 WeakPolarHBondContact O-CD2 3.49Å; F45-F49 PolarHBondContact O-N 2.99Å; F45-F49 VanDerWaalsContact O-N 3.17Å; N46-F49 WeakPolarHBondContact O-CB 3.42Å; N46-F49 PolarHBondContact O-N 2.83Å; H47-F49 VanDerWaalsContact C-N 3.3Å; H47-F49 PolarHBondContact O-N 2.94Å; F49-R53 VanDerWaalsContact O-CB 3.29Å; F49-R53 WeakPolarHBondContact O-CB 3.34Å; F49-R53 PolarHBondContact O-N 2.89Å; F49-K67 HydrophobicContact CD1-CB 4.02Å; F49-K67 HydrophobicContact CD1-CG 3.82Å; F49-K67 HydrophobicContact CE1-CB 3.53Å; F49-K67 HydrophobicContact CE1-CD 4.43Å; F49-K67 HydrophobicContact CE1-CG 3.8Å; F49-K67 HydrophobicContact CG-CG 4.33Å; F49-K67 HydrophobicContact CZ-CB 4.1Å; F49-K67 HydrophobicContact CZ-CD 4.49Å; F49-K67 HydrophobicContact CZ-CG 4.33Å; F49-I70 HydrophobicContact CD1-CB 4.32Å; F49-I70 HydrophobicContact CD1-CD1 4.01Å; F49-I70 HydrophobicContact CD1-CG2 4.12Å; F49-I70 HydrophobicContact CE1-CG2 4.43Å; F49-L71 HydrophobicContact CE1-CD1 4.48Å; F49-L71 HydrophobicContact CE1-CD2 4.24Å; F49-L71 HydrophobicContact CE1-CG 4.07Å; F49-L71 HydrophobicContact CZ-CD1 4.26Å; F49-L71 HydrophobicContact CZ-CD2 4.15Å; F49-L71 HydrophobicContact CZ-CG 4.21Å
50Q96.5Very high97.2Very high109 Ų10983 Ų8351%0.50944%0.435SS..Hα-helixtrans-68.4-42.3177.7-174.759.530.200111N46 H47 A48 R53 T54N46-Q50 PolarHBondContact O-N 3.31Å; H47-Q50 WeakPolarHBondContact O-CB 3.45Å; H47-Q50 PolarHBondContact O-N 2.81Å; A48-Q50 VanDerWaalsContact C-N 3.35Å; Q50-R53 WeakPolarHBondContact O-CB 3.38Å; Q50-R53 PolarHBondContact O-N 3.37Å; Q50-T54 WeakPolarHBondContact O-CG2 3.3Å; Q50-T54 PolarHBondContact O-N 3.33Å
51E97.5Very high96.7Very high117 Ų11783.8 Ų83.855%0.54745%0.445SS..Hα-helixtrans-63.6-47.2174.4-172.1-178.517900111.7H47 R53 T54H47-E51 PolarHBondContact O-N 2.64Å; E51-R53 PolarHBondContact O-N 3.45Å; E51-T54 PolarHBondContact O-N 3.01Å; E51-T54 VanDerWaalsContact O-N 3.14Å; E51-T54 PolarHBondContact O-OG1 3.32Å
52L97.9Very high96.2Very high54 Ų5482.6 Ų82.628%0.28345%0.45SS..Hα-helixtrans-56.7-41.4174.9176.958.4000111.3A48 T54 L55 L56 I70 L71 A74A48-L52 WeakPolarHBondContact O-CB 3.13Å; A48-L52 PolarHBondContact O-N 3.3Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.37Å; L52-L55 PolarHBondContact O-N 2.83Å; L52-L56 WeakPolarHBondContact O-CG 3.19Å; L52-I70 HydrophobicContact CB-CG2 4.45Å; L52-I70 HydrophobicContact CD2-CG2 3.65Å; L52-I70 HydrophobicContact CG-CG2 3.86Å; L52-L71 HydrophobicContact CD2-CD2 4.44Å; L52-A74 HydrophobicContact CD1-CB 4.19Å; L52-A74 HydrophobicContact CD2-CB 4.34Å
53R96.6Very high96Very high35 Ų3584.6 Ų84.613%0.13245%0.454CS..Hα-helixtrans-62.2-34.6180175-173.5161.9105.511.4112.9F49 Q50 E51 L55 L56 P61 D62 K63 M65 I70F49-R53 VanDerWaalsContact O-CB 3.29Å; F49-R53 WeakPolarHBondContact O-CB 3.34Å; F49-R53 PolarHBondContact O-N 2.89Å; Q50-R53 WeakPolarHBondContact O-CB 3.38Å; Q50-R53 PolarHBondContact O-N 3.37Å; E51-R53 PolarHBondContact O-N 3.45Å; R53-L55 PolarHBondContact O-N 3.45Å; R53-L56 PolarHBondContact O-N 3.02Å; R53-P61 PolarHBondContact NH2-O 3.35Å; R53-D62 PolarHBondContact NH2-O 2.91Å; R53-K63 PolarHBondContact NH1-O 3.12Å; R53-K63 PolarHBondContact NH2-O 3.05Å; R53-M65 VanDerWaalsContact NH1-N 3.13Å; R53-I70 HydrophobicContact CB-CD1 4.26Å
54T95Very high95.7Very high101 Ų10187.5 Ų87.562%0.6246%0.464SS*.Hα-helixtrans-69.2-20.5179.461.90000112.8Q50 E51 L52Q50-T54 WeakPolarHBondContact O-CG2 3.3Å; Q50-T54 PolarHBondContact O-N 3.33Å; E51-T54 PolarHBondContact O-N 3.01Å; E51-T54 VanDerWaalsContact O-N 3.14Å; E51-T54 PolarHBondContact O-OG1 3.32Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.37Å
55L96.7Very high95.6Very high121 Ų12185.1 Ų85.163%0.63444%0.444SS*.THydrogen-bonded Turntrans-85.2-11.7177.2-57174.3000113.2L52 R53L52-L55 PolarHBondContact O-N 2.83Å; R53-L55 PolarHBondContact O-N 3.45Å
56L97.3Very high95.6Very high17 Ų1784.4 Ų84.49%0.08945%0.448CS..SBendtrans-89.1139.9-174.4-61.4-177000112.4L52 R53 V58 I70 L73 A74L52-L56 WeakPolarHBondContact O-CG 3.19Å; R53-L56 PolarHBondContact O-N 3.02Å; L56-V58 HydrophobicContact CB-CG2 4.03Å; L56-V58 PolarHBondContact O-N 3.45Å; L56-I70 HydrophobicContact CD1-CB 4.43Å; L56-I70 HydrophobicContact CD1-CG2 3.89Å; L56-I70 WeakPolarHBondContact CD1-O 3.49Å; L56-L73 HydrophobicContact CB-CD2 3.98Å; L56-L73 HydrophobicContact CB-CG 4.48Å; L56-L73 HydrophobicContact CD1-CB 4.19Å; L56-L73 HydrophobicContact CD1-CD2 4.07Å; L56-L73 HydrophobicContact CD1-CG 4.21Å; L56-A74 HydrophobicContact CD1-CB 4.4Å; L56-A74 HydrophobicContact CD2-CB 3.81Å
57P96.5Very high95.6Very high69 Ų6985.4 Ų85.445%0.44845%0.449SS..  trans-76.995177.532.1-35.5000110.6Y77P57-Y77 HydrophobicContact CG-CD1 4.19Å; P57-Y77 HydrophobicContact CG-CD2 3.69Å; P57-Y77 HydrophobicContact CG-CE1 4.18Å; P57-Y77 HydrophobicContact CG-CE2 3.7Å; P57-Y77 HydrophobicContact CG-CG 3.95Å
58V95.3Very high95.6Very high32 Ų3283.1 Ų83.119%0.19444%0.444CS..  trans-126.3135.2-176.2-176.40000111.3L56 K63 M65 L73L56-V58 HydrophobicContact CB-CG2 4.03Å; L56-V58 PolarHBondContact O-N 3.45Å; V58-K63 HydrophobicContact CG1-CB 3.76Å; V58-K63 HydrophobicContact CG1-CD 3.47Å; V58-K63 VanDerWaalsContact CG1-CD 3.47Å; V58-K63 HydrophobicContact CG1-CG 4.25Å; V58-M65 HydrophobicContact CB-SD 4.48Å; V58-M65 HydrophobicContact CG1-SD 4.09Å; V58-M65 HydrophobicContact CG2-CE 4.5Å; V58-M65 HydrophobicContact CG2-SD 3.57Å; V58-M65 VanDerWaalsContact CG2-SD 3.57Å; V58-L73 HydrophobicContact CG2-CD2 3.49Å; V58-L73 VanDerWaalsContact CG2-CD2 3.49Å
59L93Very high95.5Very high150 Ų15085 Ų8579%0.78544%0.444SS*.SBendtrans-120134.6170.4-16273000111.2
60P93.4Very high95.5Very high65 Ų6584.1 Ų84.142%0.42244%0.44SS..SBendcis-68162.6-13.432.8-38.2000112D62 K63P60-D62 VanDerWaalsContact CB-OD1 3.27Å; P60-D62 WeakPolarHBondContact CB-OD1 3.28Å; P60-D62 VanDerWaalsContact CG-OD1 3.32Å; P60-D62 WeakPolarHBondContact CG-OD1 3.34Å; P60-D62 PolarHBondContact O-N 3.38Å; P60-D62 VanDerWaalsContact O-N 3.1Å; P60-K63 HydrophobicContact CG-CB 4.17Å; P60-K63 WeakPolarHBondContact O-CB 3.22Å; P60-K63 PolarHBondContact O-N 3.22Å
61P88.5Confident95.7Very high108 Ų10883.1 Ų83.170%0.70144%0.438SS*.THydrogen-bonded Turntrans-56.6-29-176.9-26.335.4000114.3R53R53-P61 PolarHBondContact NH2-O 3.35Å
62D89.5Confident95.7Very high116 Ų11686.2 Ų86.262%0.6245%0.445SS*.THydrogen-bonded Turntrans-90.5-0.5-179.568.7-39.1000114R53 P60 K64R53-D62 PolarHBondContact NH2-O 2.91Å; P60-D62 VanDerWaalsContact CB-OD1 3.27Å; P60-D62 WeakPolarHBondContact CB-OD1 3.28Å; P60-D62 VanDerWaalsContact CG-OD1 3.32Å; P60-D62 WeakPolarHBondContact CG-OD1 3.34Å; P60-D62 PolarHBondContact O-N 3.38Å; P60-D62 VanDerWaalsContact O-N 3.1Å; D62-K64 PolarHBondContact O-N 3.39Å
63K93.8Very high95.7Very high98 Ų9886.1 Ų86.143%0.42644%0.444SS..  trans-50.6113-178.7-177.3-157.2-174.579.90111.9R53 V58 P60 M65R53-K63 PolarHBondContact NH1-O 3.12Å; R53-K63 PolarHBondContact NH2-O 3.05Å; V58-K63 HydrophobicContact CG1-CB 3.76Å; V58-K63 HydrophobicContact CG1-CD 3.47Å; V58-K63 VanDerWaalsContact CG1-CD 3.47Å; V58-K63 HydrophobicContact CG1-CG 4.25Å; P60-K63 HydrophobicContact CG-CB 4.17Å; P60-K63 WeakPolarHBondContact O-CB 3.22Å; P60-K63 PolarHBondContact O-N 3.22Å; K63-M65 HydrophobicContact CD-CG 4.34Å; K63-M65 PolarHBondContact O-N 3.37Å
64K93Very high95.8Very high187 Ų18785 Ų8581%0.81344%0.442SS*.  trans-59.9132.5177.7-59.6-60.7-177.8-176.10110.9D62D62-K64 PolarHBondContact O-N 3.39Å
65M95.6Very high96Very high34 Ų3484.5 Ų84.517%0.16744%0.439CS..  trans-129138.4179.9-68.8-177.372.600109.6R53 V58 K63 Q69 I70 L73R53-M65 VanDerWaalsContact NH1-N 3.13Å; V58-M65 HydrophobicContact CB-SD 4.48Å; V58-M65 HydrophobicContact CG1-SD 4.09Å; V58-M65 HydrophobicContact CG2-CE 4.5Å; V58-M65 HydrophobicContact CG2-SD 3.57Å; V58-M65 VanDerWaalsContact CG2-SD 3.57Å; K63-M65 HydrophobicContact CD-CG 4.34Å; K63-M65 PolarHBondContact O-N 3.37Å; M65-Q69 HydrophobicContact CB-CB 4.41Å; M65-Q69 HydrophobicContact CE-CB 3.84Å; M65-I70 HydrophobicContact CB-CD1 4.3Å; M65-I70 HydrophobicContact CB-CG1 3.82Å; M65-I70 HydrophobicContact CE-CG1 4.24Å; M65-I70 HydrophobicContact SD-CG1 4.39Å; M65-L73 HydrophobicContact CE-CB 4.12Å; M65-L73 HydrophobicContact CE-CD2 3.71Å; M65-L73 HydrophobicContact SD-CD2 4.34Å
66T97.6Very high96.1Very high81 Ų8182.4 Ų82.450%0.49744%0.435SS..  trans-74.7160.2171.270.70000110.6V68 Q69 I70T66-V68 VanDerWaalsContact C-N 3.25Å; T66-V68 PolarHBondContact O-N 2.98Å; T66-Q69 WeakPolarHBondContact O-CB 3.37Å; T66-Q69 PolarHBondContact O-N 3.35Å; T66-Q69 VanDerWaalsContact O-N 3.08Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.46Å; T66-Q69 PolarHBondContact OG1-N 3.17Å; T66-Q69 PolarHBondContact OG1-OE1 3.03Å; T66-I70 WeakPolarHBondContact O-CG1 3.22Å; T66-I70 PolarHBondContact O-N 3.3Å
67K98.1Very high96.1Very high90 Ų9085.2 Ų85.239%0.39145%0.445SS..Hα-helixtrans-55.2-41.3176.9-67-178.3174.3-178.90112.2F45 N46 F49 I70 L71F45-K67 HydrophobicContact CE1-CD 4.19Å; N46-K67 WeakPolarHBondContact OD1-CE 3.45Å; N46-K67 PolarHBondContact OD1-NZ 3.41Å; F49-K67 HydrophobicContact CD1-CB 4.02Å; F49-K67 HydrophobicContact CD1-CG 3.82Å; F49-K67 HydrophobicContact CE1-CB 3.53Å; F49-K67 HydrophobicContact CE1-CD 4.43Å; F49-K67 HydrophobicContact CE1-CG 3.8Å; F49-K67 HydrophobicContact CG-CG 4.33Å; F49-K67 HydrophobicContact CZ-CB 4.1Å; F49-K67 HydrophobicContact CZ-CD 4.49Å; F49-K67 HydrophobicContact CZ-CG 4.33Å; K67-I70 PolarHBondContact O-N 3.39Å; K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 3.39Å; K67-L71 VanDerWaalsContact O-N 3.13Å
68V98.4Very high96.2Very high84 Ų8486.7 Ų86.751%0.50945%0.448SS..Hα-helixtrans-66.2-39.5178178.80000111.5T66 L71 R72T66-V68 VanDerWaalsContact C-N 3.25Å; T66-V68 PolarHBondContact O-N 2.98Å; V68-L71 PolarHBondContact O-N 3.34Å; V68-R72 HydrophobicContact CG1-CG 4.45Å; V68-R72 WeakPolarHBondContact O-CG 3.46Å; V68-R72 PolarHBondContact O-N 2.66Å
69Q98Very high96.3Very high90 Ų9089 Ų8942%0.42146%0.462SS..Hα-helixtrans-65.1-41.8176.4-73.8171.6-36.900112.1M65 T66 L71 R72 L73M65-Q69 HydrophobicContact CB-CB 4.41Å; M65-Q69 HydrophobicContact CE-CB 3.84Å; T66-Q69 WeakPolarHBondContact O-CB 3.37Å; T66-Q69 PolarHBondContact O-N 3.35Å; T66-Q69 VanDerWaalsContact O-N 3.08Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.46Å; T66-Q69 PolarHBondContact OG1-N 3.17Å; T66-Q69 PolarHBondContact OG1-OE1 3.03Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.11Å; Q69-R72 PolarHBondContact O-N 3.11Å; Q69-L73 WeakPolarHBondContact O-CB 3.44Å; Q69-L73 PolarHBondContact O-N 2.88Å
70I98.4Very high96.5Very high8 Ų888 Ų884%0.04145%0.449CS..Hα-helixtrans-57.7-48.9176.7-69.4167.2000109.8F49 L52 R53 L56 M65 T66 K67 L73 A74F49-I70 HydrophobicContact CD1-CB 4.32Å; F49-I70 HydrophobicContact CD1-CD1 4.01Å; F49-I70 HydrophobicContact CD1-CG2 4.12Å; F49-I70 HydrophobicContact CE1-CG2 4.43Å; L52-I70 HydrophobicContact CB-CG2 4.45Å; L52-I70 HydrophobicContact CD2-CG2 3.65Å; L52-I70 HydrophobicContact CG-CG2 3.86Å; R53-I70 HydrophobicContact CB-CD1 4.26Å; L56-I70 HydrophobicContact CD1-CB 4.43Å; L56-I70 HydrophobicContact CD1-CG2 3.89Å; L56-I70 WeakPolarHBondContact CD1-O 3.49Å; M65-I70 HydrophobicContact CB-CD1 4.3Å; M65-I70 HydrophobicContact CB-CG1 3.82Å; M65-I70 HydrophobicContact CE-CG1 4.24Å; M65-I70 HydrophobicContact SD-CG1 4.39Å; T66-I70 WeakPolarHBondContact O-CG1 3.22Å; T66-I70 PolarHBondContact O-N 3.3Å; K67-I70 PolarHBondContact O-N 3.39Å; I70-L73 PolarHBondContact O-N 3.47Å; I70-A74 VanDerWaalsContact O-CB 3.31Å; I70-A74 WeakPolarHBondContact O-CB 3.44Å; I70-A74 PolarHBondContact O-N 2.91Å
71L98.7Very high96.7Very high88 Ų8888.1 Ų88.146%0.46145%0.446SS..Hα-helixtrans-62.7-47.6179.4-66.4174.7000112.2F49 L52 K67 V68 Q69 L73 A74 T75F49-L71 HydrophobicContact CE1-CD1 4.48Å; F49-L71 HydrophobicContact CE1-CD2 4.24Å; F49-L71 HydrophobicContact CE1-CG 4.07Å; F49-L71 HydrophobicContact CZ-CD1 4.26Å; F49-L71 HydrophobicContact CZ-CD2 4.15Å; F49-L71 HydrophobicContact CZ-CG 4.21Å; L52-L71 HydrophobicContact CD2-CD2 4.44Å; K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 3.39Å; K67-L71 VanDerWaalsContact O-N 3.13Å; V68-L71 PolarHBondContact O-N 3.34Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.11Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.17Å; L71-A74 PolarHBondContact O-N 3.04Å; L71-T75 PolarHBondContact O-N 2.99Å; L71-T75 PolarHBondContact O-OG1 3.41Å; L71-T75 VanDerWaalsContact O-OG1 3.14Å
72R98.4Very high97.2Very high182 Ų18287 Ų8769%0.68743%0.434SS*.Hα-helixtrans-59-46.6178.5-75.2-179.5175.2-173-1.8111.7V68 Q69 T75 S76V68-R72 HydrophobicContact CG1-CG 4.45Å; V68-R72 WeakPolarHBondContact O-CG 3.46Å; V68-R72 PolarHBondContact O-N 2.66Å; Q69-R72 PolarHBondContact O-N 3.11Å; R72-T75 PolarHBondContact O-N 3.04Å; R72-S76 PolarHBondContact O-N 3.44Å; R72-S76 PolarHBondContact O-OG 3.28Å
73L98.2Very high97.5Very high52 Ų5285.2 Ų85.227%0.27243%0.43SS..Hα-helixtrans-65.4-42.2179.3-178.761000111.5L56 V58 M65 Q69 I70 L71 T75 S76 Y77L56-L73 HydrophobicContact CB-CD2 3.98Å; L56-L73 HydrophobicContact CB-CG 4.48Å; L56-L73 HydrophobicContact CD1-CB 4.19Å; L56-L73 HydrophobicContact CD1-CD2 4.07Å; L56-L73 HydrophobicContact CD1-CG 4.21Å; V58-L73 HydrophobicContact CG2-CD2 3.49Å; V58-L73 VanDerWaalsContact CG2-CD2 3.49Å; M65-L73 HydrophobicContact CE-CB 4.12Å; M65-L73 HydrophobicContact CE-CD2 3.71Å; M65-L73 HydrophobicContact SD-CD2 4.34Å; Q69-L73 WeakPolarHBondContact O-CB 3.44Å; Q69-L73 PolarHBondContact O-N 2.88Å; I70-L73 PolarHBondContact O-N 3.47Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.17Å; L73-T75 PolarHBondContact O-N 2.97Å; L73-S76 PolarHBondContact O-N 3.43Å; L73-Y77 VanDerWaalsContact O-CB 3.23Å; L73-Y77 WeakPolarHBondContact O-CB 3.38Å; L73-Y77 PolarHBondContact O-N 2.99Å
74A98.7Very high97.6Very high11 Ų1184.3 Ų84.39%0.09143%0.429CS..Hα-helixtrans-57.8-48.7175.700000111.7L52 L56 I70 L71 Y77 I78L52-A74 HydrophobicContact CD1-CB 4.19Å; L52-A74 HydrophobicContact CD2-CB 4.34Å; L56-A74 HydrophobicContact CD1-CB 4.4Å; L56-A74 HydrophobicContact CD2-CB 3.81Å; I70-A74 VanDerWaalsContact O-CB 3.31Å; I70-A74 WeakPolarHBondContact O-CB 3.44Å; I70-A74 PolarHBondContact O-N 2.91Å; L71-A74 PolarHBondContact O-N 3.04Å; A74-Y77 PolarHBondContact O-N 3.24Å; A74-I78 VanDerWaalsContact O-CG1 3.28Å; A74-I78 WeakPolarHBondContact O-CG1 3.35Å; A74-I78 PolarHBondContact O-N 3.36Å
75T98.6Very high97.8Very high91 Ų9180.9 Ų80.956%0.55842%0.419SS*.Hα-helixtrans-60.8-49.3177.1-56.80000111.6L71 R72 L73 Y77 I78 T79L71-T75 PolarHBondContact O-N 2.99Å; L71-T75 PolarHBondContact O-OG1 3.41Å; L71-T75 VanDerWaalsContact O-OG1 3.14Å; R72-T75 PolarHBondContact O-N 3.04Å; L73-T75 PolarHBondContact O-N 2.97Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.07Å; T75-I78 PolarHBondContact O-N 2.97Å; T75-T79 PolarHBondContact O-N 2.76Å; T75-T79 PolarHBondContact O-OG1 3.37Å
76S98.3Very high97.7Very high77 Ų7783.6 Ų83.654%0.53843%0.434SS..Hα-helixtrans-60.3-37.8177.9-65.90000112.4R72 L73 T79 Y80R72-S76 PolarHBondContact O-N 3.44Å; R72-S76 PolarHBondContact O-OG 3.28Å; L73-S76 PolarHBondContact O-N 3.43Å; S76-T79 PolarHBondContact O-N 2.92Å; S76-Y80 WeakPolarHBondContact O-CB 3.46Å; S76-Y80 PolarHBondContact O-N 3.29Å
77Y98.2Very high97.2Very high76 Ų7689 Ų8930%0.29845%0.447SS..Hα-helixtrans-70.7-41179.8-172.6-132.4000112P57 L73 A74 T75 T79 Y80 L81P57-Y77 HydrophobicContact CG-CD1 4.19Å; P57-Y77 HydrophobicContact CG-CD2 3.69Å; P57-Y77 HydrophobicContact CG-CE1 4.18Å; P57-Y77 HydrophobicContact CG-CE2 3.7Å; P57-Y77 HydrophobicContact CG-CG 3.95Å; L73-Y77 VanDerWaalsContact O-CB 3.23Å; L73-Y77 WeakPolarHBondContact O-CB 3.38Å; L73-Y77 PolarHBondContact O-N 2.99Å; A74-Y77 PolarHBondContact O-N 3.24Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.07Å; Y77-T79 VanDerWaalsContact C-N 3.32Å; Y77-T79 PolarHBondContact O-N 2.95Å; Y77-Y80 HydrophobicContact CD2-CD1 4Å; Y77-Y80 AromaticContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CE1 4.45Å; Y77-Y80 WeakPolarHBondContact O-CB 3.39Å; Y77-Y80 PolarHBondContact O-N 3.15Å; Y77-L81 HydrophobicContact CD1-CD1 4.15Å; Y77-L81 HydrophobicContact CD2-CG 4.28Å; Y77-L81 HydrophobicContact CE1-CD1 3.82Å; Y77-L81 HydrophobicContact CE1-CG 4.42Å; Y77-L81 HydrophobicContact CE2-CD1 4.29Å; Y77-L81 HydrophobicContact CE2-CD2 3.93Å; Y77-L81 HydrophobicContact CE2-CG 3.99Å; Y77-L81 WeakPolarHBondContact O-CG 3.06Å; Y77-L81 PolarHBondContact O-N 3.15Å
78I98.4Very high96.1Very high101 Ų10191.4 Ų91.452%0.51846%0.464SS..Hα-helixtrans-58-46171.9-68.9163.7000110.5A74 T75 Y80 L81 N82A74-I78 VanDerWaalsContact O-CG1 3.28Å; A74-I78 WeakPolarHBondContact O-CG1 3.35Å; A74-I78 PolarHBondContact O-N 3.36Å; T75-I78 PolarHBondContact O-N 2.97Å; I78-Y80 VanDerWaalsContact C-N 3.34Å; I78-Y80 PolarHBondContact O-N 3.38Å; I78-L81 PolarHBondContact O-N 3.47Å; I78-N82 PolarHBondContact O-N 3.42Å; I78-N82 PolarHBondContact O-ND2 3.34Å
79T98.2Very high94.1Very high80 Ų8097.5 Ų97.549%0.49148%0.484SS..Hα-helixtrans-60.1-44.9176.2-58.70000111.6T75 S76 Y77 N82 C83T75-T79 PolarHBondContact O-N 2.76Å; T75-T79 PolarHBondContact O-OG1 3.37Å; S76-T79 PolarHBondContact O-N 2.92Å; Y77-T79 VanDerWaalsContact C-N 3.32Å; Y77-T79 PolarHBondContact O-N 2.95Å; T79-N82 PolarHBondContact O-N 2.93Å; T79-C83 PolarHBondContact O-N 2.68Å; T79-C83 PolarHBondContact O-SG 2.91Å; T79-C83 VanDerWaalsContact O-SG 3.38Å
80Y97.5Very high93.9Very high130 Ų13097.9 Ų97.951%0.5149%0.487SS..Hα-helixtrans-59.2-48.2177.9171.6-104.8000112.5S76 Y77 I78 N82 C83 L84S76-Y80 WeakPolarHBondContact O-CB 3.46Å; S76-Y80 PolarHBondContact O-N 3.29Å; Y77-Y80 HydrophobicContact CD2-CD1 4Å; Y77-Y80 AromaticContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CE1 4.45Å; Y77-Y80 WeakPolarHBondContact O-CB 3.39Å; Y77-Y80 PolarHBondContact O-N 3.15Å; I78-Y80 VanDerWaalsContact C-N 3.34Å; I78-Y80 PolarHBondContact O-N 3.38Å; Y80-N82 VanDerWaalsContact C-N 3.31Å; Y80-N82 PolarHBondContact O-N 2.88Å; Y80-C83 WeakPolarHBondContact O-CB 3.46Å; Y80-C83 PolarHBondContact O-N 2.65Å; Y80-C83 VanDerWaalsContact O-N 3.14Å; Y80-L84 HydrophobicContact CD1-CD1 4.03Å; Y80-L84 HydrophobicContact CE1-CD1 3.37Å; Y80-L84 HydrophobicContact CE1-CG 4.16Å; Y80-L84 HydrophobicContact CE2-CD1 4.19Å; Y80-L84 HydrophobicContact CE2-CD2 4.36Å; Y80-L84 HydrophobicContact CE2-CG 4.16Å; Y80-L84 VanDerWaalsContact CZ-CD1 3.46Å; Y80-L84 PolarHBondContact O-N 3.29Å
81L97.4Very high93.7Very high67 Ų67102.6 Ų102.635%0.35151%0.51SS..Hα-helixtrans-61.2-39.9177.5-67.4176.8000111.7Y77 I78 L84 L85Y77-L81 HydrophobicContact CD1-CD1 4.15Å; Y77-L81 HydrophobicContact CD2-CG 4.28Å; Y77-L81 HydrophobicContact CE1-CD1 3.82Å; Y77-L81 HydrophobicContact CE1-CG 4.42Å; Y77-L81 HydrophobicContact CE2-CD1 4.29Å; Y77-L81 HydrophobicContact CE2-CD2 3.93Å; Y77-L81 HydrophobicContact CE2-CG 3.99Å; Y77-L81 WeakPolarHBondContact O-CG 3.06Å; Y77-L81 PolarHBondContact O-N 3.15Å; I78-L81 PolarHBondContact O-N 3.47Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.48Å
82N97.6Very high93.4Very high83 Ų83103.4 Ų103.444%0.44451%0.513SS..Hα-helixtrans-63.8-39.6174.3-76.8-48.1000112.4I78 T79 Y80 L85 N86I78-N82 PolarHBondContact O-N 3.42Å; I78-N82 PolarHBondContact O-ND2 3.34Å; T79-N82 PolarHBondContact O-N 2.93Å; Y80-N82 VanDerWaalsContact C-N 3.31Å; Y80-N82 PolarHBondContact O-N 2.88Å; N82-L85 PolarHBondContact O-N 3.44Å; N82-N86 PolarHBondContact O-N 3.11Å; N82-N86 PolarHBondContact O-ND2 3.25Å
83C96.6Very high93.1Very high80 Ų8098.8 Ų98.854%0.54150%0.503SS..Hα-helixtrans-63.7-44.2175.8-70.30000111.5T79 Y80 L85 N86 Y87T79-C83 PolarHBondContact O-N 2.68Å; T79-C83 PolarHBondContact O-SG 2.91Å; T79-C83 VanDerWaalsContact O-SG 3.38Å; Y80-C83 WeakPolarHBondContact O-CB 3.46Å; Y80-C83 PolarHBondContact O-N 2.65Å; Y80-C83 VanDerWaalsContact O-N 3.14Å; C83-L85 PolarHBondContact O-N 2.87Å; C83-N86 PolarHBondContact O-N 3.27Å; C83-Y87 PolarHBondContact O-N 3.13Å
84L96.4Very high92.8Very high78 Ų78101.8 Ų101.841%0.40852%0.517SS..Hα-helixtrans-58.5-48.1176-73.9178.1000111.9Y80 L81 N86 Y87Y80-L84 HydrophobicContact CD1-CD1 4.03Å; Y80-L84 HydrophobicContact CE1-CD1 3.37Å; Y80-L84 HydrophobicContact CE1-CG 4.16Å; Y80-L84 HydrophobicContact CE2-CD1 4.19Å; Y80-L84 HydrophobicContact CE2-CD2 4.36Å; Y80-L84 HydrophobicContact CE2-CG 4.16Å; Y80-L84 VanDerWaalsContact CZ-CD1 3.46Å; Y80-L84 PolarHBondContact O-N 3.29Å; L81-L84 PolarHBondContact O-N 2.98Å; L84-N86 PolarHBondContact O-N 2.84Å; L84-N86 VanDerWaalsContact O-N 3.16Å; L84-Y87 WeakPolarHBondContact O-CB 3.47Å; L84-Y87 PolarHBondContact O-N 3.35Å
85L95.7Very high92.4Very high115 Ų115107.8 Ų107.860%0.60255%0.546SS*.Hα-helixtrans-64-20.2179.8-72.6174.9000114.4L81 N82 C83L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.48Å; N82-L85 PolarHBondContact O-N 3.44Å; C83-L85 PolarHBondContact O-N 2.87Å
86N94.6Very high92Very high91 Ų91109 Ų10949%0.48755%0.545SS..Hα-helixtrans-98.8-10.2176.4-67.2-53000113.1N82 C83 L84 K89N82-N86 PolarHBondContact O-N 3.11Å; N82-N86 PolarHBondContact O-ND2 3.25Å; C83-N86 PolarHBondContact O-N 3.27Å; L84-N86 PolarHBondContact O-N 2.84Å; L84-N86 VanDerWaalsContact O-N 3.16Å; N86-K89 PolarHBondContact OD1-NZ 3.01Å
87Y87.7Confident91.5Very high196 Ų196111.5 Ų111.577%0.76955%0.545SS*.Hα-helixtrans-75.4-28.7173.3-173.7-93.5000111.7C83 L84 K89C83-Y87 PolarHBondContact O-N 3.13Å; L84-Y87 WeakPolarHBondContact O-CB 3.47Å; L84-Y87 PolarHBondContact O-N 3.35Å; Y87-K89 VanDerWaalsContact C-N 3.29Å; Y87-K89 PolarHBondContact O-N 2.99Å
88D74.5Confident90.9Very high140 Ų140114.4 Ų114.475%0.74957%0.566SS**THydrogen-bonded Turntrans-83.44.7179.5-67.6-21.1000114.3
89K56.4Low90.2Very high212 Ų212115.6 Ų115.692%0.92257%0.57SS**  trans-105.20176-68.4-178.9-171.2146.60111.1N86 Y87N86-K89 PolarHBondContact OD1-NZ 3.01Å; Y87-K89 VanDerWaalsContact C-N 3.29Å; Y87-K89 PolarHBondContact O-N 2.99Å

Retrieved 89 of 89 residues in 115.2 ms (Link to these results)