A0A087WRL1_MOUSE Loading...

ArfGAP with FG repeats 1

AlphaFold DB , UniProt , Accession A0A087WRL1, Species MOUSE (Mus musculus, Mouse), Gene Agfg1, Length 200 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
1M88.3Confident96.1Very high245 Ų245122.4 Ų122.4100%1.20762%0.618SS**  0147.80-101.1149.863.700108.5
2T95.3Very high96.1Very high121 Ų121119.5 Ų119.574%0.74260%0.604SS**  trans-109.3145.7-179.5-49.60000109.2
3T96.1Very high96Very high134 Ų134122.1 Ų122.182%0.82261%0.613SS**PPolyproline II helixtrans-98.8131.5175.3-56.80000109.5
4F97.4Very high95.7Very high113 Ų113125.1 Ų125.150%0.49662%0.62SS.*PPolyproline II helixtrans-94.3147.2178.8-66.7-78.6000111.9E8 I9 L12F4-E8 HydrophobicContact CB-CB 4.37Å; F4-E8 HydrophobicContact CD1-CB 3.96Å; F4-I9 HydrophobicContact CB-CD1 3.57Å; F4-I9 HydrophobicContact CB-CG1 3.92Å; F4-I9 HydrophobicContact CD2-CD1 4.12Å; F4-I9 HydrophobicContact CG-CD1 3.91Å; F4-L12 HydrophobicContact CD1-CD1 4.38Å; F4-L12 HydrophobicContact CE1-CD1 4.09Å; F4-L12 HydrophobicContact CZ-CD1 4.42Å
5T98.3Very high95.5Very high76 Ų76120.5 Ų120.547%0.46660%0.596SS.*PPolyproline II helixtrans-78.9158.1164.865.90000110.6Q7 E8 I9T5-Q7 PolarHBondContact O-N 3.24Å; T5-E8 WeakPolarHBondContact CB-OE2 3.48Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.43Å; T5-E8 PolarHBondContact N-OE2 3.45Å; T5-E8 PolarHBondContact O-N 2.66Å; T5-E8 VanDerWaalsContact O-N 3.11Å; T5-E8 VanDerWaalsContact OG1-CD 3.31Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.47Å; T5-E8 PolarHBondContact OG1-N 2.98Å; T5-E8 PolarHBondContact OG1-OE2 3.21Å; T5-I9 WeakPolarHBondContact O-CG1 3.27Å; T5-I9 PolarHBondContact O-N 3.03Å; T5-I9 VanDerWaalsContact O-N 3.11Å
6Q97.6Very high95.4Very high126 Ų126115 Ų11559%0.58958%0.58SS**Hα-helixtrans-57.2-38.1177.5-176.457.638.900112.4E8 I9 E10Q6-E8 PolarHBondContact O-N 3.33Å; Q6-I9 PolarHBondContact O-N 2.77Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.45Å; Q6-E10 PolarHBondContact NE2-OE1 3.25Å; Q6-E10 WeakPolarHBondContact O-CG 3.48Å; Q6-E10 PolarHBondContact O-N 2.85Å
7Q97.8Very high95.3Very high159 Ų159116.6 Ų116.674%0.74359%0.591SS**Hα-helixtrans-63.5-39.5177.5-66.5179-0.300112.2T5 F11T5-Q7 PolarHBondContact O-N 3.24Å; Q7-F11 VanDerWaalsContact O-CB 3.31Å; Q7-F11 WeakPolarHBondContact O-CB 3.44Å; Q7-F11 PolarHBondContact O-N 2.69Å
8E96.8Very high95.1Very high88 Ų88118 Ų11841%0.41159%0.594SS.*Hα-helixtrans-67.4-38.6176.3-71164.2132.200111.6F4 T5 Q6 F11 L12F4-E8 HydrophobicContact CB-CB 4.37Å; F4-E8 HydrophobicContact CD1-CB 3.96Å; T5-E8 WeakPolarHBondContact CB-OE2 3.48Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.43Å; T5-E8 PolarHBondContact N-OE2 3.45Å; T5-E8 PolarHBondContact O-N 2.66Å; T5-E8 VanDerWaalsContact O-N 3.11Å; T5-E8 VanDerWaalsContact OG1-CD 3.31Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.47Å; T5-E8 PolarHBondContact OG1-N 2.98Å; T5-E8 PolarHBondContact OG1-OE2 3.21Å; Q6-E8 PolarHBondContact O-N 3.33Å; E8-F11 PolarHBondContact O-N 3.38Å; E8-L12 WeakPolarHBondContact O-CB 3.25Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.37Å; E8-L12 PolarHBondContact O-N 3.38Å
9I96.9Very high95Very high56 Ų56115.3 Ų115.329%0.28758%0.584SS.*Hα-helixtrans-63-47.9176.1-63.5-58000111F4 T5 Q6 F11 L12 Q13F4-I9 HydrophobicContact CB-CD1 3.57Å; F4-I9 HydrophobicContact CB-CG1 3.92Å; F4-I9 HydrophobicContact CD2-CD1 4.12Å; F4-I9 HydrophobicContact CG-CD1 3.91Å; T5-I9 WeakPolarHBondContact O-CG1 3.27Å; T5-I9 PolarHBondContact O-N 3.03Å; T5-I9 VanDerWaalsContact O-N 3.11Å; Q6-I9 PolarHBondContact O-N 2.77Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.94Å; I9-L12 PolarHBondContact O-N 3.13Å; I9-Q13 HydrophobicContact CG2-CG 4.5Å; I9-Q13 WeakPolarHBondContact O-CG 3.47Å; I9-Q13 PolarHBondContact O-N 3Å
10E96.6Very high94.9Very high104 Ų104111.5 Ų111.549%0.48657%0.568SS.*Hα-helixtrans-61.8-40.6177.1-73170.2-161.500111.9Q6 Q13 K14Q6-E10 WeakPolarHBondContact CG-OE1 3.45Å; Q6-E10 PolarHBondContact NE2-OE1 3.25Å; Q6-E10 WeakPolarHBondContact O-CG 3.48Å; Q6-E10 PolarHBondContact O-N 2.85Å; E10-Q13 PolarHBondContact O-N 3.02Å; E10-K14 WeakPolarHBondContact O-CB 3.19Å; E10-K14 PolarHBondContact O-N 3.45Å
11F96.3Very high94.8Very high124 Ų124111.6 Ų111.654%0.54457%0.565SS.*Hα-helixtrans-60.3-46.7175.5178.7-92000111.8Q7 E8 I9 K14 H15Q7-F11 VanDerWaalsContact O-CB 3.31Å; Q7-F11 WeakPolarHBondContact O-CB 3.44Å; Q7-F11 PolarHBondContact O-N 2.69Å; E8-F11 PolarHBondContact O-N 3.38Å; I9-F11 VanDerWaalsContact C-N 3.31Å; I9-F11 PolarHBondContact O-N 2.94Å; F11-K14 PolarHBondContact O-N 2.88Å; F11-H15 AromaticContact CD2-CE1 3.51Å; F11-H15 AromaticContact CD2-ND1 3.67Å; F11-H15 AromaticContact CE2-CE1 3.19Å; F11-H15 WeakPolarHBondContact CE2-CE1 3.45Å; F11-H15 AromaticContact CE2-ND1 3.55Å; F11-H15 AromaticContact CE2-NE2 3.86Å; F11-H15 AromaticContact CG-ND1 3.99Å; F11-H15 AromaticContact CZ-CE1 3.74Å; F11-H15 AromaticContact CZ-ND1 3.75Å; F11-H15 PolarHBondContact O-N 3.3Å; F11-H15 VanDerWaalsContact O-N 3.15Å; F11-H15 PolarHBondContact O-ND1 3.5Å
12L95.9Very high95Very high88 Ų88102.5 Ų102.546%0.46152%0.519SS..Hα-helixtrans-64.5-41.8178.4-73.9169000112.1F4 E8 I9 K14 H15 G16F4-L12 HydrophobicContact CD1-CD1 4.38Å; F4-L12 HydrophobicContact CE1-CD1 4.09Å; F4-L12 HydrophobicContact CZ-CD1 4.42Å; E8-L12 WeakPolarHBondContact O-CB 3.25Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.37Å; E8-L12 PolarHBondContact O-N 3.38Å; I9-L12 PolarHBondContact O-N 3.13Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-K14 PolarHBondContact O-N 3.37Å; L12-H15 PolarHBondContact O-N 3.46Å; L12-G16 WeakPolarHBondContact O-CA 3.41Å; L12-G16 PolarHBondContact O-N 3.01Å
13Q94.2Very high95Very high153 Ų15397.2 Ų97.272%0.71549%0.487SS*.Hα-helixtrans-62.4-40.7176.9-74.7177.70.500112.2I9 E10I9-Q13 HydrophobicContact CG2-CG 4.5Å; I9-Q13 WeakPolarHBondContact O-CG 3.47Å; I9-Q13 PolarHBondContact O-N 3Å; E10-Q13 PolarHBondContact O-N 3.02Å
14K92.9Very high94.9Very high164 Ų16493.6 Ų93.671%0.71346%0.458SS*.Hα-helixtrans-70.7-34.2-179.7-179176.5174.3177.30113.3E10 F11 L12E10-K14 WeakPolarHBondContact O-CB 3.19Å; E10-K14 PolarHBondContact O-N 3.45Å; F11-K14 PolarHBondContact O-N 2.88Å; L12-K14 VanDerWaalsContact C-N 3.35Å; L12-K14 PolarHBondContact O-N 3.37Å
15H92.9Very high94.7Very high57 Ų5789.8 Ų89.826%0.26444%0.442SS..Hα-helixtrans-94.7-62-177.8-63.781.2000111.2F11 L12 V19F11-H15 AromaticContact CD2-CE1 3.51Å; F11-H15 AromaticContact CD2-ND1 3.67Å; F11-H15 AromaticContact CE2-CE1 3.19Å; F11-H15 WeakPolarHBondContact CE2-CE1 3.45Å; F11-H15 AromaticContact CE2-ND1 3.55Å; F11-H15 AromaticContact CE2-NE2 3.86Å; F11-H15 AromaticContact CG-ND1 3.99Å; F11-H15 AromaticContact CZ-CE1 3.74Å; F11-H15 AromaticContact CZ-ND1 3.75Å; F11-H15 PolarHBondContact O-N 3.3Å; F11-H15 VanDerWaalsContact O-N 3.15Å; F11-H15 PolarHBondContact O-ND1 3.5Å; L12-H15 PolarHBondContact O-N 3.46Å; H15-V19 WeakPolarHBondContact O-CB 3.31Å; H15-V19 WeakPolarHBondContact O-CG2 3.35Å; H15-V19 PolarHBondContact O-N 3.49Å
16G93.2Very high94.4Very high32 Ų3286.9 Ų86.933%0.3343%0.428SS..Hα-helixtrans53.9179.7-177.400000114.5L12 C20L12-G16 WeakPolarHBondContact O-CA 3.41Å; L12-G16 PolarHBondContact O-N 3.01Å; G16-C20 VanDerWaalsContact O-CB 3.24Å; G16-C20 WeakPolarHBondContact O-CB 3.46Å; G16-C20 PolarHBondContact O-N 2.93Å; G16-C20 PolarHBondContact O-SG 3.1Å
17N94Very high94.1Very high143 Ų14386.3 Ų86.377%0.76543%0.428SS*.Hα-helixtrans-73-30.5-179.8-75.2-7.1000112.8C20 K21N17-C20 PolarHBondContact O-N 2.89Å; N17-K21 VanDerWaalsContact O-CB 3.29Å; N17-K21 WeakPolarHBondContact O-CB 3.45Å; N17-K21 PolarHBondContact O-N 3.49Å
18E91.6Very high93.6Very high141 Ų14180.4 Ų80.466%0.65940%0.4SS*.Hα-helixtrans-64.8-51.2-179.3-66.9-53.4141.300111.9C20 K21 Q22E18-C20 VanDerWaalsContact C-N 3.34Å; E18-C20 PolarHBondContact O-N 3.17Å; E18-K21 PolarHBondContact O-N 2.88Å; E18-Q22 WeakPolarHBondContact O-CG 3.28Å; E18-Q22 PolarHBondContact O-N 3.35Å
19V92.7Very high93Very high66 Ų6679 Ų7940%0.440%0.396SS..Hα-helixtrans-67.6-39.4177.1-170.10000110.1H15 K21 Q22 I23H15-V19 WeakPolarHBondContact O-CB 3.31Å; H15-V19 WeakPolarHBondContact O-CG2 3.35Å; H15-V19 PolarHBondContact O-N 3.49Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.03Å; V19-Q22 PolarHBondContact O-N 3.4Å; V19-I23 HydrophobicContact CG1-CD1 3.85Å; V19-I23 HydrophobicContact CG1-CG1 4.47Å; V19-I23 WeakPolarHBondContact O-CG1 3.38Å; V19-I23 PolarHBondContact O-N 2.87Å
20C93.8Very high92.2Very high40 Ų4081.6 Ų81.627%0.2741%0.41SS..Hα-helixtrans-62-33.7176.3-71.50000112.7G16 N17 E18 I23 W24G16-C20 VanDerWaalsContact O-CB 3.24Å; G16-C20 WeakPolarHBondContact O-CB 3.46Å; G16-C20 PolarHBondContact O-N 2.93Å; G16-C20 PolarHBondContact O-SG 3.1Å; N17-C20 PolarHBondContact O-N 2.89Å; E18-C20 VanDerWaalsContact C-N 3.34Å; E18-C20 PolarHBondContact O-N 3.17Å; C20-I23 PolarHBondContact O-N 3.44Å; C20-W24 WeakPolarHBondContact O-CB 3.39Å; C20-W24 VanDerWaalsContact O-CD1 3.27Å; C20-W24 PolarHBondContact O-N 3.41Å
21K92.4Very high91.1Very high114 Ų11487.7 Ų87.750%0.49643%0.428SS..Hα-helixtrans-65.5-45.3174.9-175.9177178.9-179.70110.5N17 E18 V19 I23 L25 G26N17-K21 VanDerWaalsContact O-CB 3.29Å; N17-K21 WeakPolarHBondContact O-CB 3.45Å; N17-K21 PolarHBondContact O-N 3.49Å; E18-K21 PolarHBondContact O-N 2.88Å; V19-K21 VanDerWaalsContact C-N 3.27Å; V19-K21 PolarHBondContact O-N 3.03Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.38Å; K21-L25 HydrophobicContact CG-CB 4.25Å; K21-L25 HydrophobicContact CG-CD1 4.27Å; K21-L25 CarbonylContact O-C 3.48Å; K21-L25 VanDerWaalsContact O-C 3.27Å; K21-L25 VanDerWaalsContact O-CA 3.25Å; K21-L25 WeakPolarHBondContact O-CA 3.15Å; K21-L25 VanDerWaalsContact O-CB 3.28Å; K21-L25 WeakPolarHBondContact O-CB 3.31Å; K21-L25 PolarHBondContact O-N 2.98Å; K21-G26 PolarHBondContact O-N 3.26Å
22Q92.3Very high89.8Confident53 Ų5386 Ų8625%0.24843%0.432CS..Hα-helixtrans-63.8-32.3177.7-57.9-57.2-2400112.9E18 V19 G26 A64 A68E18-Q22 WeakPolarHBondContact O-CG 3.28Å; E18-Q22 PolarHBondContact O-N 3.35Å; V19-Q22 PolarHBondContact O-N 3.4Å; Q22-G26 WeakPolarHBondContact O-CA 3.09Å; Q22-G26 PolarHBondContact O-N 3.26Å; Q22-A64 HydrophobicContact CB-CB 4.14Å; Q22-A68 HydrophobicContact CB-CB 4.33Å; Q22-A68 VanDerWaalsContact CD-CB 3.43Å; Q22-A68 HydrophobicContact CG-CB 3.7Å
23I94.9Very high88.7Confident11 Ų1183 Ų836%0.05642%0.418CS..Hα-helixtrans-77.6-55.6177.2-67.6166.2000110.9V19 C20 K21 Y58 V59 P61 A64V19-I23 HydrophobicContact CG1-CD1 3.85Å; V19-I23 HydrophobicContact CG1-CG1 4.47Å; V19-I23 WeakPolarHBondContact O-CG1 3.38Å; V19-I23 PolarHBondContact O-N 2.87Å; C20-I23 PolarHBondContact O-N 3.44Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.38Å; I23-Y58 HydrophobicContact CG2-CD2 3.83Å; I23-Y58 HydrophobicContact CG2-CE2 3.49Å; I23-Y58 VanDerWaalsContact CG2-CE2 3.49Å; I23-Y58 CarbonylContact O-C 3.27Å; I23-Y58 VanDerWaalsContact O-CA 3.31Å; I23-Y58 WeakPolarHBondContact O-CA 3.25Å; I23-V59 WeakPolarHBondContact CG2-O 3.47Å; I23-V59 PolarHBondContact O-N 2.96Å; I23-P61 HydrophobicContact CD1-CB 4.07Å; I23-P61 HydrophobicContact CD1-CG 3.97Å; I23-P61 HydrophobicContact CG1-CB 4.41Å; I23-P61 HydrophobicContact CG1-CG 4.35Å; I23-A64 HydrophobicContact CG1-CB 3.81Å
24W95.4Very high87.6Confident57 Ų5780 Ų8022%0.21642%0.419CS..Hα-helixtrans-89-14.5-168.8-66.7106.8000114.5C20 K51 Y52 K55 W57 Y58C20-W24 WeakPolarHBondContact O-CB 3.39Å; C20-W24 VanDerWaalsContact O-CD1 3.27Å; C20-W24 PolarHBondContact O-N 3.41Å; W24-K51 VanDerWaalsContact CB-CE 3.44Å; W24-K51 HydrophobicContact CB-CG 4.23Å; W24-Y52 HydrophobicContact CB-CE1 4.31Å; W24-Y52 AromaticContact CD1-CE1 3.94Å; W24-Y52 AromaticContact CD2-CD1 3.59Å; W24-Y52 HydrophobicContact CD2-CD1 3.59Å; W24-Y52 AromaticContact CD2-CE1 3.53Å; W24-Y52 HydrophobicContact CD2-CE1 3.53Å; W24-Y52 AromaticContact CE2-CD1 3.8Å; W24-Y52 AromaticContact CE2-CE1 3.74Å; W24-Y52 AromaticContact CE3-CD1 3.52Å; W24-Y52 HydrophobicContact CE3-CD1 3.52Å; W24-Y52 AromaticContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CG-CD1 4.23Å; W24-Y52 AromaticContact CG-CE1 3.68Å; W24-Y52 HydrophobicContact CG-CE1 3.68Å; W24-Y52 AromaticContact CH2-CD1 3.91Å; W24-Y52 HydrophobicContact CH2-CD1 3.91Å; W24-Y52 AromaticContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CE1 4.31Å; W24-Y52 AromaticContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CE1 4.48Å; W24-Y52 AromaticContact NE1-CE1 3.95Å; W24-K55 HydrophobicContact CZ3-CG 4.2Å; W24-W57 CarbonylContact C-O 3.36Å; W24-W57 CarbonylContact O-C 3.56Å; W24-Y58 HydrophobicContact CD2-CD2 4.09Å; W24-Y58 AromaticContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CE2 4.39Å; W24-Y58 HydrophobicContact CE3-CG 4.45Å; W24-Y58 HydrophobicContact CH2-CD2 4.03Å; W24-Y58 HydrophobicContact CH2-CE2 4.15Å; W24-Y58 HydrophobicContact CZ2-CD2 4.46Å; W24-Y58 HydrophobicContact CZ2-CE2 4.36Å; W24-Y58 AromaticContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CE2 4.16Å; W24-Y58 HydrophobicContact CZ3-CG 4.36Å
25L93.3Very high87Confident33 Ų3377 Ų7717%0.17341%0.41CS..SBendtrans-132.823-178.7-61.7174000110.5K21 L27 F28 F47 K51 W57K21-L25 HydrophobicContact CG-CB 4.25Å; K21-L25 HydrophobicContact CG-CD1 4.27Å; K21-L25 CarbonylContact O-C 3.48Å; K21-L25 VanDerWaalsContact O-C 3.27Å; K21-L25 VanDerWaalsContact O-CA 3.25Å; K21-L25 WeakPolarHBondContact O-CA 3.15Å; K21-L25 VanDerWaalsContact O-CB 3.28Å; K21-L25 WeakPolarHBondContact O-CB 3.31Å; K21-L25 PolarHBondContact O-N 2.98Å; L25-L27 PolarHBondContact O-N 3.46Å; L25-F28 HydrophobicContact CB-CB 3.76Å; L25-F28 HydrophobicContact CB-CG 4.44Å; L25-F28 HydrophobicContact CD2-CB 3.9Å; L25-F28 HydrophobicContact CD2-CD2 3.96Å; L25-F28 HydrophobicContact CD2-CG 3.94Å; L25-F28 HydrophobicContact CG-CB 4.41Å; L25-F28 WeakPolarHBondContact O-CB 3.03Å; L25-F28 PolarHBondContact O-N 3.22Å; L25-F47 HydrophobicContact CD2-CZ 4.31Å; L25-K51 HydrophobicContact CD2-CD 4.18Å; L25-K51 HydrophobicContact CD2-CG 4.38Å; L25-W57 HydrophobicContact CD2-CE3 4.24Å
26G91.8Very high86.6Confident15 Ų1575.1 Ų75.116%0.15540%0.403CS..THydrogen-bonded Turntrans-65.1-23.2-176.800000114K21 Q22 W57 V67K21-G26 PolarHBondContact O-N 3.26Å; Q22-G26 WeakPolarHBondContact O-CA 3.09Å; Q22-G26 PolarHBondContact O-N 3.26Å; G26-W57 PolarHBondContact N-O 3.36Å; G26-V67 WeakPolarHBondContact O-CG1 3.4Å
27L89.6Confident86.2Confident114 Ų11478 Ų7860%0.59741%0.411SS*.THydrogen-bonded Turntrans-105.12.9173.4-55.7176.9000113L25 W57 V59L25-L27 PolarHBondContact O-N 3.46Å; L27-W57 HydrophobicContact CB-CB 4.38Å; L27-V59 HydrophobicContact CD1-CG2 4.49Å; L27-V59 HydrophobicContact CD2-CG2 4.14Å; L27-V59 HydrophobicContact CG-CG2 3.79Å
28F88.7Confident85.9Confident35 Ų3578.2 Ų78.215%0.15441%0.405CS..  trans-81.4125.2-178.2-175.1-88.7000109.2L25 S33 F47 W57L25-F28 HydrophobicContact CB-CB 3.76Å; L25-F28 HydrophobicContact CB-CG 4.44Å; L25-F28 HydrophobicContact CD2-CB 3.9Å; L25-F28 HydrophobicContact CD2-CD2 3.96Å; L25-F28 HydrophobicContact CD2-CG 3.94Å; L25-F28 HydrophobicContact CG-CB 4.41Å; L25-F28 WeakPolarHBondContact O-CB 3.03Å; L25-F28 PolarHBondContact O-N 3.22Å; F28-S33 VanDerWaalsContact CZ-CB 3.41Å; F28-F47 AromaticContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CZ 4.49Å; F28-W57 HydrophobicContact CB-CB 4.17Å; F28-W57 HydrophobicContact CB-CD2 4.47Å; F28-W57 HydrophobicContact CB-CG 3.96Å; F28-W57 AromaticContact CD2-CD2 3.77Å; F28-W57 HydrophobicContact CD2-CD2 3.77Å; F28-W57 AromaticContact CD2-CE2 3.63Å; F28-W57 HydrophobicContact CD2-CE3 4.21Å; F28-W57 HydrophobicContact CD2-CG 4.13Å; F28-W57 HydrophobicContact CD2-CH2 4.39Å; F28-W57 AromaticContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ3 4.5Å; F28-W57 AromaticContact CD2-NE1 3.85Å; F28-W57 HydrophobicContact CE2-CH2 4.37Å; F28-W57 HydrophobicContact CE2-CZ2 4.13Å
29D84.8Confident86Confident60 Ų6082.2 Ų82.232%0.32141%0.414SS..  trans-104.4117.8174.2170.527.2000109.5R31 S32 S33D29-R31 PolarHBondContact O-N 3.35Å; D29-R31 VanDerWaalsContact O-N 3.12Å; D29-R31 PolarHBondContact OD1-N 3.14Å; D29-R31 IonicContact OD1-NE 3.15Å; D29-S32 VanDerWaalsContact CB-OG 3.29Å; D29-S32 WeakPolarHBondContact CB-OG 3.24Å; D29-S32 VanDerWaalsContact CG-OG 3.26Å; D29-S32 PolarHBondContact O-N 2.91Å; D29-S32 VanDerWaalsContact OD2-CB 3.32Å; D29-S32 WeakPolarHBondContact OD2-CB 3.36Å; D29-S32 PolarHBondContact OD2-OG 3.18Å; D29-S33 WeakPolarHBondContact O-CB 3.48Å; D29-S33 PolarHBondContact O-N 3.36Å; D29-S33 PolarHBondContact O-OG 3.08Å
30D78.9Confident86.1Confident110 Ų11082.2 Ų82.259%0.58841%0.412SS*.THydrogen-bonded Turntrans-62.4-20-175.8-150.219.6000112.9
31R74.3Confident86.1Confident232 Ų23285.2 Ų85.288%0.87543%0.431SS*.THydrogen-bonded Turntrans-91-24.7-179.6-66.3-176.2-70.6-174.2-4.2113.9D29D29-R31 PolarHBondContact O-N 3.35Å; D29-R31 VanDerWaalsContact O-N 3.12Å; D29-R31 PolarHBondContact OD1-N 3.14Å; D29-R31 IonicContact OD1-NE 3.15Å
32S68.3Low86.2Confident88 Ų8884.6 Ų84.662%0.61543%0.43SS*.THydrogen-bonded Turntrans-116.5-24.2-174.761.70000113.6D29D29-S32 VanDerWaalsContact CB-OG 3.29Å; D29-S32 WeakPolarHBondContact CB-OG 3.24Å; D29-S32 VanDerWaalsContact CG-OG 3.26Å; D29-S32 PolarHBondContact O-N 2.91Å; D29-S32 VanDerWaalsContact OD2-CB 3.32Å; D29-S32 WeakPolarHBondContact OD2-CB 3.36Å; D29-S32 PolarHBondContact OD2-OG 3.18Å
33S73.3Confident86.3Confident25 Ų2586.7 Ų86.718%0.17544%0.438CS..SBendtrans-90.7121.8179.5-570000109.4F28 D29 I35F28-S33 VanDerWaalsContact CZ-CB 3.41Å; D29-S33 WeakPolarHBondContact O-CB 3.48Å; D29-S33 PolarHBondContact O-N 3.36Å; D29-S33 PolarHBondContact O-OG 3.08Å; S33-I35 PolarHBondContact O-N 3.25Å; S33-I35 VanDerWaalsContact O-N 3.13Å
34A71.1Confident86.3Confident89 Ų8987.9 Ų87.974%0.73645%0.446SS*.  trans-64.5115.7-178.800000110.5
35I80.6Confident86.3Confident101 Ų10190.4 Ų90.452%0.51846%0.458SS..  trans-62.8128.5167-59.1177.5000107.2S33 F38S33-I35 PolarHBondContact O-N 3.25Å; S33-I35 VanDerWaalsContact O-N 3.13Å; I35-F38 HydrophobicContact CG2-CE2 3.56Å; I35-F38 HydrophobicContact CG2-CZ 4.1Å
36P83.7Confident86.3Confident18 Ų1892.4 Ų92.412%0.11747%0.467CS..  trans-63.5149.4-179.528.3-36.8000111.1F38 F47P36-F38 HydrophobicContact CG-CE1 4.11Å; P36-F38 HydrophobicContact CG-CZ 4.03Å; P36-F38 WeakPolarHBondContact O-CD2 3.36Å; P36-F38 PolarHBondContact O-N 3.26Å; P36-F38 VanDerWaalsContact O-N 3.15Å; P36-F47 HydrophobicContact CB-CB 3.87Å; P36-F47 HydrophobicContact CB-CD2 4.49Å; P36-F47 HydrophobicContact CB-CG 4.16Å; P36-F47 HydrophobicContact CG-CB 3.81Å; P36-F47 HydrophobicContact CG-CD1 3.83Å; P36-F47 HydrophobicContact CG-CD2 3.92Å; P36-F47 HydrophobicContact CG-CE1 4.37Å; P36-F47 HydrophobicContact CG-CE2 4.45Å; P36-F47 HydrophobicContact CG-CG 3.58Å
37D84.1Confident86.5Confident92 Ų9293.3 Ų93.349%0.49247%0.466SS..  trans-69.4110.4168.7-174-3.8000109.4R39 D40D37-R39 PolarHBondContact O-N 3.48Å; D37-R39 WeakPolarHBondContact OD1-CB 3.28Å; D37-R39 PolarHBondContact OD1-N 3.23Å; D37-D40 PolarHBondContact O-N 3.25Å
38F89Confident86.7Confident148 Ų14891.4 Ų91.465%0.64946%0.456SS*.THydrogen-bonded Turntrans-72.3-6.3-179.9-65.2-75.3000113.9I35 P36 V44I35-F38 HydrophobicContact CG2-CE2 3.56Å; I35-F38 HydrophobicContact CG2-CZ 4.1Å; P36-F38 HydrophobicContact CG-CE1 4.11Å; P36-F38 HydrophobicContact CG-CZ 4.03Å; P36-F38 WeakPolarHBondContact O-CD2 3.36Å; P36-F38 PolarHBondContact O-N 3.26Å; P36-F38 VanDerWaalsContact O-N 3.15Å; F38-V44 HydrophobicContact CD1-CG2 3.98Å
39R92.6Very high87.1Confident226 Ų22692.6 Ų92.685%0.85346%0.463SS*.THydrogen-bonded Turntrans-80.6-23.2172.1-62.7-179.4175-172.2-0.6112.6D37 P41D37-R39 PolarHBondContact O-N 3.48Å; D37-R39 WeakPolarHBondContact OD1-CB 3.28Å; D37-R39 PolarHBondContact OD1-N 3.23Å; R39-P41 WeakPolarHBondContact O-CD 3.49Å
40D94.8Very high87.5Confident65 Ų6591.8 Ų91.835%0.34846%0.457SS..  trans-102.6107.6179.4-176.3-3000110.7D37 Q42 K43 V44D37-D40 PolarHBondContact O-N 3.25Å; D40-Q42 PolarHBondContact O-N 3.22Å; D40-Q42 VanDerWaalsContact O-N 3.13Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.29Å; D40-Q42 PolarHBondContact OD1-N 3.35Å; D40-K43 HydrophobicContact CB-CB 4.18Å; D40-K43 HydrophobicContact CB-CG 4.11Å; D40-K43 PolarHBondContact O-N 3.41Å; D40-K43 VanDerWaalsContact O-N 3.17Å; D40-K43 WeakPolarHBondContact OD2-CG 3.46Å; D40-V44 PolarHBondContact O-N 2.85Å; D40-V44 VanDerWaalsContact O-N 3.15Å
41P94.1Very high88.3Confident103 Ų10388 Ų8867%0.66944%0.435SS*.Hα-helixtrans-56.6-29.7177.8-23.634000113.6R39 K45R39-P41 WeakPolarHBondContact O-CD 3.49Å; P41-K45 WeakPolarHBondContact O-CB 3.46Å; P41-K45 PolarHBondContact O-N 2.83Å
42Q94.7Very high89.4Confident101 Ų10181.7 Ų81.747%0.47241%0.412SS..Hα-helixtrans-70.5-42-179.2-173.3663.700111.1D40 K45 E46D40-Q42 PolarHBondContact O-N 3.22Å; D40-Q42 VanDerWaalsContact O-N 3.13Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.29Å; D40-Q42 PolarHBondContact OD1-N 3.35Å; Q42-K45 PolarHBondContact O-N 2.74Å; Q42-E46 WeakPolarHBondContact O-CG 3.29Å; Q42-E46 PolarHBondContact O-N 3.33Å
43K94.1Very high90.7Very high98 Ų9884.2 Ų84.243%0.42641%0.414SS..Hα-helixtrans-66.5-38.8175.6-70.2-72.9158.3-151.60112.2D40 E46 F47D40-K43 HydrophobicContact CB-CB 4.18Å; D40-K43 HydrophobicContact CB-CG 4.11Å; D40-K43 PolarHBondContact O-N 3.41Å; D40-K43 VanDerWaalsContact O-N 3.17Å; D40-K43 WeakPolarHBondContact OD2-CG 3.46Å; K43-E46 IonicContact NZ-OE2 2.81Å; K43-E46 PolarHBondContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact O-N 3.42Å; K43-F47 WeakPolarHBondContact O-CB 3.33Å; K43-F47 PolarHBondContact O-N 3.44Å
44V95Very high91.8Very high35 Ų3589.2 Ų89.221%0.21243%0.433CS..Hα-helixtrans-62.3-44.7173.7177.30000110.7F38 D40 F47 L48F38-V44 HydrophobicContact CD1-CG2 3.98Å; D40-V44 PolarHBondContact O-N 2.85Å; D40-V44 VanDerWaalsContact O-N 3.15Å; V44-F47 PolarHBondContact O-N 3.22Å; V44-L48 HydrophobicContact CG1-CD1 3.85Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 VanDerWaalsContact O-CG 3.26Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.45Å
45K95.3Very high93Very high111 Ų11190.2 Ų90.248%0.48342%0.42SS..Hα-helixtrans-60.3-49.4176.8-178.5-177.7176.3-177.10111.8P41 Q42 F47 L48 Q49P41-K45 WeakPolarHBondContact O-CB 3.46Å; P41-K45 PolarHBondContact O-N 2.83Å; Q42-K45 PolarHBondContact O-N 2.74Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 3.43Å; K45-L48 PolarHBondContact O-N 3.15Å; K45-Q49 WeakPolarHBondContact O-CG 3.4Å; K45-Q49 PolarHBondContact O-N 2.86Å
46E94.5Very high93.6Very high75 Ų7592.5 Ų92.535%0.3542%0.423SS..Hα-helixtrans-55-50.3176.8-74.9170.8-172.900110.5Q42 K43 L48 Q49 E50Q42-E46 WeakPolarHBondContact O-CG 3.29Å; Q42-E46 PolarHBondContact O-N 3.33Å; K43-E46 IonicContact NZ-OE2 2.81Å; K43-E46 PolarHBondContact NZ-OE2 2.78Å; K43-E46 PolarHBondContact O-N 3.42Å; E46-L48 PolarHBondContact O-N 3.03Å; E46-Q49 WeakPolarHBondContact O-CB 3.32Å; E46-Q49 PolarHBondContact O-N 3.2Å; E46-E50 VanDerWaalsContact O-CG 3.31Å; E46-E50 WeakPolarHBondContact O-CG 3.39Å; E46-E50 PolarHBondContact O-N 3.34Å
47F94.6Very high94.2Very high33 Ų3392.9 Ų92.915%0.14542%0.422CS..Hα-helixtrans-58.5-44.3177.8176.5-97.9000112.9L25 F28 P36 K43 V44 K45 Q49 E50 K51 W57L25-F47 HydrophobicContact CD2-CZ 4.31Å; F28-F47 AromaticContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CE2 3.99Å; F28-F47 HydrophobicContact CE2-CZ 4.49Å; P36-F47 HydrophobicContact CB-CB 3.87Å; P36-F47 HydrophobicContact CB-CD2 4.49Å; P36-F47 HydrophobicContact CB-CG 4.16Å; P36-F47 HydrophobicContact CG-CB 3.81Å; P36-F47 HydrophobicContact CG-CD1 3.83Å; P36-F47 HydrophobicContact CG-CD2 3.92Å; P36-F47 HydrophobicContact CG-CE1 4.37Å; P36-F47 HydrophobicContact CG-CE2 4.45Å; P36-F47 HydrophobicContact CG-CG 3.58Å; K43-F47 WeakPolarHBondContact O-CB 3.33Å; K43-F47 PolarHBondContact O-N 3.44Å; V44-F47 PolarHBondContact O-N 3.22Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 3.43Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 3.07Å; F47-E50 PolarHBondContact O-N 2.83Å; F47-K51 HydrophobicContact CE1-CD 4.08Å; F47-K51 HydrophobicContact CZ-CD 4.48Å; F47-K51 WeakPolarHBondContact O-CB 3.48Å; F47-K51 PolarHBondContact O-N 3.15Å; F47-W57 HydrophobicContact CD2-CH2 4.04Å; F47-W57 HydrophobicContact CD2-CZ3 4.04Å; F47-W57 AromaticContact CE2-CH2 3.84Å; F47-W57 HydrophobicContact CE2-CH2 3.84Å; F47-W57 AromaticContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CZ-CZ3 4.37Å
48L95Very high94.7Very high74 Ų7491.7 Ų91.739%0.38741%0.411SS..Hα-helixtrans-66.3-35.8178.7-70172.6000112.2V44 K45 E46 K51 Y52V44-L48 HydrophobicContact CG1-CD1 3.85Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 VanDerWaalsContact O-CG 3.26Å; V44-L48 WeakPolarHBondContact O-CG 3.34Å; V44-L48 PolarHBondContact O-N 3.45Å; K45-L48 PolarHBondContact O-N 3.15Å; E46-L48 PolarHBondContact O-N 3.03Å; L48-K51 PolarHBondContact O-N 3.14Å; L48-Y52 HydrophobicContact CB-CD2 4.46Å; L48-Y52 HydrophobicContact CD2-CD2 4.07Å; L48-Y52 HydrophobicContact CD2-CE2 3.64Å; L48-Y52 WeakPolarHBondContact O-CD2 3.36Å; L48-Y52 PolarHBondContact O-N 2.94Å
49Q96.3Very high95Very high61 Ų6184.9 Ų84.929%0.28538%0.381SS..Iπ-helixtrans-64.1-44.6171.8-72-177.3-17.100111K45 E46 F47 K51 E53 K54K45-Q49 WeakPolarHBondContact O-CG 3.4Å; K45-Q49 PolarHBondContact O-N 2.86Å; E46-Q49 WeakPolarHBondContact O-CB 3.32Å; E46-Q49 PolarHBondContact O-N 3.2Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 3.07Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 PolarHBondContact O-N 3.06Å; Q49-E53 CarbonylContact O-C 3.59Å; Q49-E53 WeakPolarHBondContact O-CA 3.32Å; Q49-E53 VanDerWaalsContact O-CB 3.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.32Å; Q49-E53 PolarHBondContact O-N 3.27Å; Q49-K54 PolarHBondContact O-N 2.93Å
50E94.4Very high95.1Very high43 Ų4376.4 Ų76.420%0.20136%0.356CS..Iπ-helixtrans-62.3-39.4176.2-58.5-149.3151.500112E46 F47 K54 K55 R56 W57E46-E50 VanDerWaalsContact O-CG 3.31Å; E46-E50 WeakPolarHBondContact O-CG 3.39Å; E46-E50 PolarHBondContact O-N 3.34Å; F47-E50 PolarHBondContact O-N 2.83Å; E50-K54 HydrophobicContact CG-CD 4.11Å; E50-K54 IonicContact OE1-NZ 2.78Å; E50-K54 PolarHBondContact OE1-NZ 3Å; E50-K54 VanDerWaalsContact OE1-NZ 3.15Å; E50-K55 PolarHBondContact O-N 3.15Å; E50-K55 VanDerWaalsContact O-N 3.15Å; E50-R56 HydrophobicContact CB-CB 4.32Å; E50-R56 WeakPolarHBondContact O-CB 3.41Å; E50-R56 PolarHBondContact O-N 3.11Å; E50-R56 IonicContact OE1-NH1 3.94Å; E50-R56 WeakPolarHBondContact OE2-CD 3.31Å; E50-R56 IonicContact OE2-CZ 3.97Å; E50-R56 IonicContact OE2-NE 3.73Å; E50-R56 IonicContact OE2-NH1 3.72Å; E50-R56 PolarHBondContact OE2-NH1 2.77Å; E50-W57 HydrophobicContact CB-CH2 4.33Å; E50-W57 HydrophobicContact CB-CZ3 4.11Å
51K95.2Very high94.9Very high29 Ų2976.5 Ų76.513%0.12636%0.36CS..Iπ-helixtrans-68.6-50.7180-172.8178.4179.6-175.30112.8W24 L25 F47 L48 Q49 W57W24-K51 VanDerWaalsContact CB-CE 3.44Å; W24-K51 HydrophobicContact CB-CG 4.23Å; L25-K51 HydrophobicContact CD2-CD 4.18Å; L25-K51 HydrophobicContact CD2-CG 4.38Å; F47-K51 HydrophobicContact CE1-CD 4.08Å; F47-K51 HydrophobicContact CZ-CD 4.48Å; F47-K51 WeakPolarHBondContact O-CB 3.48Å; F47-K51 PolarHBondContact O-N 3.15Å; L48-K51 PolarHBondContact O-N 3.14Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 PolarHBondContact O-N 3.06Å; K51-W57 HydrophobicContact CB-CZ3 4.49Å
52Y96.3Very high94.7Very high100 Ų10078.5 Ų78.539%0.39236%0.36SS..Iπ-helixtrans-104.5-35.4-168.9-63.5-64.4000114.6W24 L48W24-Y52 HydrophobicContact CB-CE1 4.31Å; W24-Y52 AromaticContact CD1-CE1 3.94Å; W24-Y52 AromaticContact CD2-CD1 3.59Å; W24-Y52 HydrophobicContact CD2-CD1 3.59Å; W24-Y52 AromaticContact CD2-CE1 3.53Å; W24-Y52 HydrophobicContact CD2-CE1 3.53Å; W24-Y52 AromaticContact CE2-CD1 3.8Å; W24-Y52 AromaticContact CE2-CE1 3.74Å; W24-Y52 AromaticContact CE3-CD1 3.52Å; W24-Y52 HydrophobicContact CE3-CD1 3.52Å; W24-Y52 AromaticContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CE3-CE1 3.94Å; W24-Y52 HydrophobicContact CG-CD1 4.23Å; W24-Y52 AromaticContact CG-CE1 3.68Å; W24-Y52 HydrophobicContact CG-CE1 3.68Å; W24-Y52 AromaticContact CH2-CD1 3.91Å; W24-Y52 HydrophobicContact CH2-CD1 3.91Å; W24-Y52 AromaticContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CD1 3.97Å; W24-Y52 HydrophobicContact CZ2-CE1 4.31Å; W24-Y52 AromaticContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CD1 3.69Å; W24-Y52 HydrophobicContact CZ3-CE1 4.48Å; W24-Y52 AromaticContact NE1-CE1 3.95Å; L48-Y52 HydrophobicContact CB-CD2 4.46Å; L48-Y52 HydrophobicContact CD2-CD2 4.07Å; L48-Y52 HydrophobicContact CD2-CE2 3.64Å; L48-Y52 WeakPolarHBondContact O-CD2 3.36Å; L48-Y52 PolarHBondContact O-N 2.94Å
53E95.9Very high94.3Very high141 Ų14179.1 Ų79.166%0.65936%0.363SS*.Iπ-helixtrans-87.6-55.5179.9-60.8178.9-167.200111Q49 K55Q49-E53 CarbonylContact O-C 3.59Å; Q49-E53 WeakPolarHBondContact O-CA 3.32Å; Q49-E53 VanDerWaalsContact O-CB 3.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.32Å; Q49-E53 PolarHBondContact O-N 3.27Å; E53-K55 PolarHBondContact O-N 3.4Å
54K96.4Very high94.1Very high131 Ų13174.6 Ų74.657%0.5734%0.344SS*.SBendtrans-77.4-11.8179.1-50.3-175.1-168165.70112.8Q49 E50 R56Q49-K54 PolarHBondContact O-N 2.93Å; E50-K54 HydrophobicContact CG-CD 4.11Å; E50-K54 IonicContact OE1-NZ 2.78Å; E50-K54 PolarHBondContact OE1-NZ 3Å; E50-K54 VanDerWaalsContact OE1-NZ 3.15Å; K54-R56 PolarHBondContact O-N 3.11Å; K54-R56 VanDerWaalsContact O-N 3.14Å
55K95.6Very high93.5Very high109 Ų10979.8 Ų79.847%0.47436%0.364SS..  trans52.735.8178.3-70.5-174.1-178.3-179.90112.9W24 E50 E53 W57 Y58W24-K55 HydrophobicContact CZ3-CG 4.2Å; E50-K55 PolarHBondContact O-N 3.15Å; E50-K55 VanDerWaalsContact O-N 3.15Å; E53-K55 PolarHBondContact O-N 3.4Å; K55-W57 PolarHBondContact O-N 2.72Å; K55-W57 VanDerWaalsContact O-N 3.15Å; K55-Y58 HydrophobicContact CB-CG 4.23Å; K55-Y58 HydrophobicContact CD-CD1 4.13Å; K55-Y58 HydrophobicContact CD-CG 4.17Å; K55-Y58 HydrophobicContact CG-CG 4.27Å; K55-Y58 WeakPolarHBondContact O-CB 3.17Å; K55-Y58 PolarHBondContact O-N 3.35Å
56R94.8Very high93Very high150 Ų15078.8 Ų78.857%0.56637%0.366SS*.THydrogen-bonded Turntrans-56.4-37.3-169.7-177.5166.3-177168.51.7113.4E50 K54E50-R56 HydrophobicContact CB-CB 4.32Å; E50-R56 WeakPolarHBondContact O-CB 3.41Å; E50-R56 PolarHBondContact O-N 3.11Å; E50-R56 IonicContact OE1-NH1 3.94Å; E50-R56 WeakPolarHBondContact OE2-CD 3.31Å; E50-R56 IonicContact OE2-CZ 3.97Å; E50-R56 IonicContact OE2-NE 3.73Å; E50-R56 IonicContact OE2-NH1 3.72Å; E50-R56 PolarHBondContact OE2-NH1 2.77Å; K54-R56 PolarHBondContact O-N 3.11Å; K54-R56 VanDerWaalsContact O-N 3.14Å
57W94.8Very high92.4Very high26 Ų2677.4 Ų77.410%0.09836%0.363CS..THydrogen-bonded Turntrans-11819.6178.9-51.3-79.1000112.8W24 L25 G26 L27 F28 F47 E50 K51 K55W24-W57 CarbonylContact C-O 3.36Å; W24-W57 CarbonylContact O-C 3.56Å; L25-W57 HydrophobicContact CD2-CE3 4.24Å; G26-W57 PolarHBondContact N-O 3.36Å; L27-W57 HydrophobicContact CB-CB 4.38Å; F28-W57 HydrophobicContact CB-CB 4.17Å; F28-W57 HydrophobicContact CB-CD2 4.47Å; F28-W57 HydrophobicContact CB-CG 3.96Å; F28-W57 AromaticContact CD2-CD2 3.77Å; F28-W57 HydrophobicContact CD2-CD2 3.77Å; F28-W57 AromaticContact CD2-CE2 3.63Å; F28-W57 HydrophobicContact CD2-CE3 4.21Å; F28-W57 HydrophobicContact CD2-CG 4.13Å; F28-W57 HydrophobicContact CD2-CH2 4.39Å; F28-W57 AromaticContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ2 3.96Å; F28-W57 HydrophobicContact CD2-CZ3 4.5Å; F28-W57 AromaticContact CD2-NE1 3.85Å; F28-W57 HydrophobicContact CE2-CH2 4.37Å; F28-W57 HydrophobicContact CE2-CZ2 4.13Å; F47-W57 HydrophobicContact CD2-CH2 4.04Å; F47-W57 HydrophobicContact CD2-CZ3 4.04Å; F47-W57 AromaticContact CE2-CH2 3.84Å; F47-W57 HydrophobicContact CE2-CH2 3.84Å; F47-W57 AromaticContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CE2-CZ3 3.69Å; F47-W57 HydrophobicContact CZ-CZ3 4.37Å; E50-W57 HydrophobicContact CB-CH2 4.33Å; E50-W57 HydrophobicContact CB-CZ3 4.11Å; K51-W57 HydrophobicContact CB-CZ3 4.49Å; K55-W57 PolarHBondContact O-N 2.72Å; K55-W57 VanDerWaalsContact O-N 3.15Å
58Y95.4Very high91.7Very high67 Ų6777 Ų7726%0.26337%0.366SS..  trans-74133.3-179176.7-99.7000111.3I23 W24 K55 P60I23-Y58 HydrophobicContact CG2-CD2 3.83Å; I23-Y58 HydrophobicContact CG2-CE2 3.49Å; I23-Y58 VanDerWaalsContact CG2-CE2 3.49Å; I23-Y58 CarbonylContact O-C 3.27Å; I23-Y58 VanDerWaalsContact O-CA 3.31Å; I23-Y58 WeakPolarHBondContact O-CA 3.25Å; W24-Y58 HydrophobicContact CD2-CD2 4.09Å; W24-Y58 AromaticContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CD2 3.6Å; W24-Y58 HydrophobicContact CE3-CE2 4.39Å; W24-Y58 HydrophobicContact CE3-CG 4.45Å; W24-Y58 HydrophobicContact CH2-CD2 4.03Å; W24-Y58 HydrophobicContact CH2-CE2 4.15Å; W24-Y58 HydrophobicContact CZ2-CD2 4.46Å; W24-Y58 HydrophobicContact CZ2-CE2 4.36Å; W24-Y58 AromaticContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CD2 3.57Å; W24-Y58 HydrophobicContact CZ3-CE2 4.16Å; W24-Y58 HydrophobicContact CZ3-CG 4.36Å; K55-Y58 HydrophobicContact CB-CG 4.23Å; K55-Y58 HydrophobicContact CD-CD1 4.13Å; K55-Y58 HydrophobicContact CD-CG 4.17Å; K55-Y58 HydrophobicContact CG-CG 4.27Å; K55-Y58 WeakPolarHBondContact O-CB 3.17Å; K55-Y58 PolarHBondContact O-N 3.35Å; Y58-P60 HydrophobicContact CE1-CG 4.19Å
59V95.3Very high90.9Very high5 Ų576.8 Ų76.83%0.0337%0.37CS..  trans-121.9128.7171.9-178.20000107.8I23 L27 Q63 A64 V67I23-V59 WeakPolarHBondContact CG2-O 3.47Å; I23-V59 PolarHBondContact O-N 2.96Å; L27-V59 HydrophobicContact CD1-CG2 4.49Å; L27-V59 HydrophobicContact CD2-CG2 4.14Å; L27-V59 HydrophobicContact CG-CG2 3.79Å; V59-Q63 HydrophobicContact CG1-CB 3.68Å; V59-A64 HydrophobicContact CB-CB 4.45Å; V59-A64 HydrophobicContact CG1-CB 4.16Å; V59-V67 HydrophobicContact CG1-CG2 4.22Å
60P94.3Very high90Very high48 Ų4877.2 Ų77.231%0.31238%0.377SS..  trans-52.9141175.2-26.934.9000111.7Y58 E62 Q63 A64Y58-P60 HydrophobicContact CE1-CG 4.19Å; P60-E62 PolarHBondContact O-N 3.45Å; P60-Q63 WeakPolarHBondContact O-CA 3.4Å; P60-Q63 PolarHBondContact O-N 2.65Å; P60-A64 PolarHBondContact O-N 2.86Å
61P90.3Very high88.9Confident67 Ų6780.3 Ų80.344%0.43539%0.392SS..Hα-helixtrans-54.3-30.7-176-27.433.3000114.7I23 Q63I23-P61 HydrophobicContact CD1-CB 4.07Å; I23-P61 HydrophobicContact CD1-CG 3.97Å; I23-P61 HydrophobicContact CG1-CB 4.41Å; I23-P61 HydrophobicContact CG1-CG 4.35Å; P61-Q63 VanDerWaalsContact C-N 3.33Å
62E90Very high87.7Confident144 Ų14481.8 Ų81.867%0.67341%0.409SS*.Hα-helixtrans-67-35.8176.6-165.456.8-154.800112.2P60P60-E62 PolarHBondContact O-N 3.45Å
63Q87.4Confident86.2Confident115 Ų11581.4 Ų81.454%0.53742%0.421SS..Hα-helixtrans-88.1-29.3179.5-61.917918.300112.3V59 P60 P61 K65 V66 V67V59-Q63 HydrophobicContact CG1-CB 3.68Å; P60-Q63 WeakPolarHBondContact O-CA 3.4Å; P60-Q63 PolarHBondContact O-N 2.65Å; P61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-K65 PolarHBondContact O-N 3.18Å; Q63-V66 WeakPolarHBondContact O-CB 3.26Å; Q63-V66 PolarHBondContact O-N 2.92Å; Q63-V67 PolarHBondContact O-N 3.02Å
64A88.6Confident84.6Confident3 Ų380.9 Ų80.93%0.02542%0.421CS..Hα-helixtrans-57.6-35.4-177.800000112.5Q22 I23 V59 P60 V66 V67 A68Q22-A64 HydrophobicContact CB-CB 4.14Å; I23-A64 HydrophobicContact CG1-CB 3.81Å; V59-A64 HydrophobicContact CB-CB 4.45Å; V59-A64 HydrophobicContact CG1-CB 4.16Å; P60-A64 PolarHBondContact O-N 2.86Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 2.86Å; A64-V67 PolarHBondContact O-N 3.38Å; A64-A68 VanDerWaalsContact O-CB 3.25Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.8Å
65K83.6Confident82.8Confident144 Ų14477.8 Ų77.863%0.62642%0.416SS*.Hα-helixtrans-61.3-40.8175.2-63.3174.5-172.6165.90112.2Q63 S69Q63-K65 PolarHBondContact O-N 3.18Å; K65-S69 PolarHBondContact O-N 3.23Å; K65-S69 VanDerWaalsContact O-N 3.17Å
66V85Confident80.7Confident89 Ų8975.7 Ų75.754%0.53943%0.426SS..Hα-helixtrans-71.6-48.1-179.6-176.30000109.9Q63 A64 A68 S69 V70Q63-V66 WeakPolarHBondContact O-CB 3.26Å; Q63-V66 PolarHBondContact O-N 2.92Å; A64-V66 VanDerWaalsContact C-N 3.32Å; A64-V66 PolarHBondContact O-N 2.86Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 3.39Å; V66-S69 PolarHBondContact O-N 2.78Å; V66-S69 VanDerWaalsContact O-N 3.1Å; V66-S69 PolarHBondContact O-OG 3.49Å; V66-V70 WeakPolarHBondContact O-CG2 3.32Å; V66-V70 PolarHBondContact O-N 2.87Å
67V81.3Confident78.2Confident47 Ų4773.4 Ų73.429%0.28543%0.432SS..Hα-helixtrans-58.6-42.2177.8177.80000111.3G26 V59 Q63 A64 S69 V70 H71G26-V67 WeakPolarHBondContact O-CG1 3.4Å; V59-V67 HydrophobicContact CG1-CG2 4.22Å; Q63-V67 PolarHBondContact O-N 3.02Å; A64-V67 PolarHBondContact O-N 3.38Å; V67-S69 PolarHBondContact O-N 3.12Å; V67-V70 PolarHBondContact O-N 3.13Å; V67-H71 WeakPolarHBondContact O-CB 3.47Å; V67-H71 PolarHBondContact O-N 2.93Å
68A80.3Confident76Confident24 Ų2478.2 Ų78.220%0.19847%0.47CS..Hα-helixtrans-60.1-43.6175.200000112.5Q22 A64 V66 V70 H71 A72Q22-A68 HydrophobicContact CB-CB 4.33Å; Q22-A68 VanDerWaalsContact CD-CB 3.43Å; Q22-A68 HydrophobicContact CG-CB 3.7Å; A64-A68 VanDerWaalsContact O-CB 3.25Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.8Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 3.39Å; A68-V70 VanDerWaalsContact C-N 3.35Å; A68-V70 PolarHBondContact O-N 3.15Å; A68-H71 PolarHBondContact O-N 3.23Å; A68-A72 WeakPolarHBondContact O-CB 3.42Å; A68-A72 PolarHBondContact O-N 3.19Å
69S77.6Confident73.6Confident69 Ų6979.2 Ų79.248%0.48349%0.492SS..Hα-helixtrans-64.4-39.3178.273.10000112.4K65 V66 V67 A72 S73K65-S69 PolarHBondContact O-N 3.23Å; K65-S69 VanDerWaalsContact O-N 3.17Å; V66-S69 PolarHBondContact O-N 2.78Å; V66-S69 VanDerWaalsContact O-N 3.1Å; V66-S69 PolarHBondContact O-OG 3.49Å; V67-S69 PolarHBondContact O-N 3.12Å; S69-A72 PolarHBondContact O-N 3.25Å; S69-S73 PolarHBondContact O-N 3.43Å; S69-S73 PolarHBondContact O-OG 3.37Å
70V78.3Confident70.9Confident71 Ų7184.1 Ų84.143%0.4353%0.527SS..Hα-helixtrans-66.4-46.8175.7172.60000110V66 V67 A68 A72 S73 I74V66-V70 WeakPolarHBondContact O-CG2 3.32Å; V66-V70 PolarHBondContact O-N 2.87Å; V67-V70 PolarHBondContact O-N 3.13Å; A68-V70 VanDerWaalsContact C-N 3.35Å; A68-V70 PolarHBondContact O-N 3.15Å; V70-A72 VanDerWaalsContact C-N 3.32Å; V70-A72 PolarHBondContact O-N 2.95Å; V70-S73 WeakPolarHBondContact CA-OG 3.4Å; V70-S73 PolarHBondContact O-N 3.2Å; V70-S73 VanDerWaalsContact O-N 3.13Å; V70-S73 PolarHBondContact O-OG 2.98Å; V70-I74 HydrophobicContact CG1-CD1 3.54Å; V70-I74 HydrophobicContact CG1-CG1 4.35Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.41Å; V70-I74 PolarHBondContact O-N 3.39Å
71H69.9Low68.5Low108 Ų10887.5 Ų87.550%0.555%0.551SS.*Hα-helixtrans-62-38.7177.5-163.8-78.3000112.3V67 A68 I74 S75V67-H71 WeakPolarHBondContact O-CB 3.47Å; V67-H71 PolarHBondContact O-N 2.93Å; A68-H71 PolarHBondContact O-N 3.23Å; H71-I74 PolarHBondContact O-N 3.15Å; H71-S75 PolarHBondContact CE1-OG 3.45Å; H71-S75 WeakPolarHBondContact O-CB 3.33Å; H71-S75 PolarHBondContact O-N 2.81Å; H71-S75 PolarHBondContact O-OG 2.92Å
72A69.9Low66.4Low60 Ų6091 Ų9150%0.49657%0.572SS.*Hα-helixtrans-64.2-39.6174.100000112.3A68 S69 V70A68-A72 WeakPolarHBondContact O-CB 3.42Å; A68-A72 PolarHBondContact O-N 3.19Å; S69-A72 PolarHBondContact O-N 3.25Å; V70-A72 VanDerWaalsContact C-N 3.32Å; V70-A72 PolarHBondContact O-N 2.95Å
73S65.9Low64.3Low91 Ų9189.2 Ų89.264%0.63658%0.576SS**Hα-helixtrans-69.7-30.7176.968.70000113.4S69 V70S69-S73 PolarHBondContact O-N 3.43Å; S69-S73 PolarHBondContact O-OG 3.37Å; V70-S73 WeakPolarHBondContact CA-OG 3.4Å; V70-S73 PolarHBondContact O-N 3.2Å; V70-S73 VanDerWaalsContact O-N 3.13Å; V70-S73 PolarHBondContact O-OG 2.98Å
74I62.7Low62.1Low130 Ų13089 Ų8967%0.66759%0.586SS**Hα-helixtrans-80.4-34.5177.4-64.4164.7000111.3V70 H71 G76V70-I74 HydrophobicContact CG1-CD1 3.54Å; V70-I74 HydrophobicContact CG1-CG1 4.35Å; V70-I74 VanDerWaalsContact O-CG1 3.27Å; V70-I74 WeakPolarHBondContact O-CG1 3.41Å; V70-I74 PolarHBondContact O-N 3.39Å; H71-I74 PolarHBondContact O-N 3.15Å; I74-G76 PolarHBondContact O-N 2.95Å
75S58.7Low59.9Low67 Ų6795.6 Ų95.647%0.46963%0.627SS.*THydrogen-bonded Turntrans-72.70.7180-75.30000114.9H71 S77H71-S75 PolarHBondContact CE1-OG 3.45Å; H71-S75 WeakPolarHBondContact O-CB 3.33Å; H71-S75 PolarHBondContact O-N 2.81Å; H71-S75 PolarHBondContact O-OG 2.92Å; S75-S77 PolarHBondContact O-N 2.95Å; S75-S77 VanDerWaalsContact O-N 3.08Å
76G51.3Low58Low65 Ų6594.4 Ų94.467%0.6763%0.634SS**THydrogen-bonded Turntrans6513.9171.800000115.3I74 S78I74-G76 PolarHBondContact O-N 2.95Å; G76-S78 PolarHBondContact O-N 3.3Å; G76-S78 VanDerWaalsContact O-N 3.14Å
77S41.3Very low56.4Low101 Ų10199 Ų9971%0.70665%0.649SS**  trans-87.582.3-179.6-64.10000110.6S75 A79S75-S77 PolarHBondContact O-N 2.95Å; S75-S77 VanDerWaalsContact O-N 3.08Å; S77-A79 PolarHBondContact O-N 3.15Å
78S47.9Very low54.7Low127 Ų127102.5 Ų102.589%0.88867%0.67SS**  trans-7897.5155.3-67.10000108.6G76G76-S78 PolarHBondContact O-N 3.3Å; G76-S78 VanDerWaalsContact O-N 3.14Å
79A46Very low53.3Low89 Ų89110.1 Ų110.174%0.73670%0.699SS**  trans-144.3109.2162.700000110.3S77S77-A79 PolarHBondContact O-N 3.15Å
80S38.6Very low52.3Low107 Ų107111.6 Ų111.675%0.74871%0.707SS**  trans27110159.7-70.40000118
81S43.3Very low50.8Low119 Ų119117.1 Ų117.183%0.83273%0.733SS**  40.481.167.1-58.80000114.8
82T46.2Very low50.1Low140 Ų140120.4 Ų120.486%0.85975%0.746SS**  trans-142.567.4147.560.90000110.4
83S45.6Very low49.2Very low108 Ų108122.9 Ų122.976%0.75576%0.76SS**SBendtrans-150.4133.4150.870.70000109.5
84S41.4Very low48.3Very low109 Ų109127 Ų12776%0.76277%0.773SS**  trans95.7103.5167-48.10000115.7
85T44Very low47.6Very low142 Ų142128.5 Ų128.587%0.87178%0.782SS**  trans-48.4141.7164.844.40000113.1
86P43.2Very low46.7Very low119 Ų119128.4 Ų128.477%0.77379%0.791SS**  -125.3124.3127.933.9-25.1000111V88P86-V88 PolarHBondContact O-N 3.24Å
87E51.1Low46.7Very low186 Ų186133.7 Ų133.787%0.86980%0.799SS**  trans-57.9109.9165.7175.4-165.9122.600110.5
88V44.7Very low46.6Very low120 Ų120134.9 Ų134.973%0.72781%0.807SS**  trans-150.5103.2154.8-160.40000111.6P86P86-V88 PolarHBondContact O-N 3.24Å
89K52.6Low46.2Very low185 Ų185133.1 Ų133.180%0.80480%0.8SS**  trans46.7121.9148.8-66.4171.2176.3173.40120.3
90P54.7Low46.2Very low100 Ų100135.1 Ų135.165%0.64981%0.805SS**  trans-67.4138.5169.828.7-33.4000111.9K92P90-K92 HydrophobicContact CB-CG 4.25Å; P90-K92 HydrophobicContact CG-CG 4.35Å; P90-K92 PolarHBondContact O-N 2.92Å
91L48.6Very low46.4Very low187 Ų187134.2 Ų134.298%0.97980%0.804SS**SBendtrans-66.767.8178.4-67.2166.1000112.6
92K54.9Low46.2Very low177 Ų177136.9 Ų136.977%0.7781%0.808SS**  trans-144.657.1171.444.3175.4174.5176.20109.9P90P90-K92 HydrophobicContact CB-CG 4.25Å; P90-K92 HydrophobicContact CG-CG 4.35Å; P90-K92 PolarHBondContact O-N 2.92Å
93S51.2Low46Very low112 Ų112138.5 Ų138.578%0.78381%0.806SS**  trans-171.284.3159.8-1670000109.9
94L45.5Very low45.6Very low176 Ų176140.4 Ų140.492%0.92181%0.807SS**  trans-159.456152.8-104.5148.3000106.8G96L94-G96 PolarHBondContact O-N 3.25Å
95L49.2Very low45.3Very low163 Ų163141.8 Ų141.885%0.85381%0.806SS**  trans-65.3106.9150.3178.866.9000105.6
96G40.2Very low45.4Very low64 Ų64145.2 Ų145.266%0.6681%0.809SS**  trans-133.7111.3169.900000107.8L94L94-G96 PolarHBondContact O-N 3.25Å
97E50.2Low45.1Very low177 Ų177143.2 Ų143.283%0.82781%0.809SS**  trans-67.1126.9-172.8-70.8138.8134.100113.6
98S40.6Very low44.6Very low125 Ų125141 Ų14187%0.87481%0.808SS**  trans-166.5125.3136.5-150.40000110.9
99A38.3Very low44.6Very low91 Ų91140.8 Ų140.875%0.75281%0.81SS**  trans-89.7-178.9-166.500000113.1
100P45.7Very low43.8Very low130 Ų130136.8 Ų136.884%0.84481%0.805SS**  -134.3159.155.131.2-9.9000116.3
101A43.3Very low43.1Very low88 Ų88140.5 Ų140.573%0.72781%0.814SS**  trans-70.9143.7-176.800000114.2
102L38.7Very low42.8Very low175 Ų175136.9 Ų136.992%0.91680%0.804SS**  trans-125.197.8154.3-81.9167.4000108.6
103H41.7Very low42.6Very low174 Ų174134.2 Ų134.281%0.80681%0.805SS**  trans-62.6139.3157.4-89.7-179.9000109.1
104L36.9Very low41.9Very low149 Ų149135.3 Ų135.378%0.7881%0.807SS**  -176.3133.8109.7-149.452.8000114.3
105N36.5Very low41.7Very low137 Ų137133.6 Ų133.673%0.73380%0.803SS**  trans69.3120145.6-78.111.7000125.3
106K45.3Very low41.3Very low215 Ų215129 Ų12994%0.93580%0.796SS**  trans-43135.5142.8-81.1175.5168.2-175.80112.7
107G37.5Very low41.1Very low76 Ų76137.9 Ų137.978%0.78481%0.809SS**  trans174.798.8161.300000111.9
108T40.7Very low40.4Very low139 Ų139134.7 Ų134.785%0.85381%0.806SS**  trans-62.6164.2159.745.90000109.6
109P44.3Very low40.2Very low116 Ų116138.3 Ų138.375%0.75381%0.81SS**  cis-145178.82939.6-17.8000117.1
110S35.6Very low40Very low102 Ų102137.2 Ų137.271%0.71381%0.807SS**  trans90.7127.3135.9-137.80000120.4
111Q40.8Very low39.4Very low177 Ų177139.6 Ų139.683%0.82781%0.807SS**  trans91.582.2150.9-51.4-143.4-13.700118.8
112S42.5Very low39.2Very low111 Ų111143.2 Ų143.278%0.77681%0.809SS**  trans-76.2142.1138.837.10000110.6
113P49.1Very low39Very low122 Ų122143.1 Ų143.179%0.79280%0.803SS**  trans-102.295.3153.927.4-13.5000109
114V37.2Very low38.7Very low135 Ų135143.1 Ų143.182%0.81880%0.804SS**  trans-78.5117.3149.2129.70000105.6
115V42Very low39.4Very low140 Ų140145.3 Ų145.385%0.84881%0.807SS**  trans-93.499.5168.6175.50000107.2
116G40.3Very low39.9Very low67 Ų67148.2 Ų148.269%0.69181%0.813SS**  trans-97.8133.3156.700000108.9
117R35.5Very low40.1Very low250 Ų250146.7 Ų146.794%0.94381%0.809SS**  trans-121.1121.3163.9-169.3176.1177.4-175-1.4107.7
118S37Very low40.7Very low110 Ų110152 Ų15277%0.76981%0.811SS**  trans-118.7142.1178.8470000110.8
119Q36Very low41.7Very low201 Ų201149 Ų14994%0.93979%0.79SS**  trans170123.1150.2-99.9177.611.500104.9
120G34.3Very low42.6Very low67 Ų67149.2 Ų149.269%0.69178%0.784SS**  cis137.11199.700000107.3
121Q33.3Very low43.7Very low181 Ų181151.1 Ų151.185%0.84679%0.785SS**  trans168119.4140.9-93.7169.2-7.400112.6
122Q37.2Very low44.5Very low164 Ų164146.9 Ų146.977%0.76678%0.776SS**  trans47.8119.5138.5-65173.31.600120.4
123Q35.3Very low45.1Very low173 Ų173147.9 Ų147.981%0.80877%0.772SS**  137.9126.9115-111.7163.3-45.600113.8
124E36.2Very low45.5Very low173 Ų173149.5 Ų149.581%0.80877%0.773SS**  trans75.3128151.8-78.8-106.285.500120.4K126E124-K126 PolarHBondContact O-N 3.17Å
125K49.9Very low46.6Very low195 Ų195146.1 Ų146.185%0.84877%0.765SS**  trans-58.2118.6172.2-69.4172.6173.2170.70109.7
126K47.9Very low47.2Very low198 Ų198143.7 Ų143.786%0.86176%0.755SS**  trans-143104.4144.6-117.3173180175.20108E124 F128E124-K126 PolarHBondContact O-N 3.17Å; K126-F128 PolarHBondContact O-N 2.9Å; K126-F128 VanDerWaalsContact O-N 3.14Å
127Q50.1Low47.9Very low183 Ų183145.5 Ų145.586%0.85575%0.748SS**  trans-43.2119.4154.1-65.9-90-29.900105.9D129Q127-D129 PolarHBondContact O-N 3.13Å
128F50.5Low49.1Very low187 Ų187141.5 Ų141.582%0.8274%0.744SS**  trans-72.780.3173-158-91000106.4K126 L130K126-F128 PolarHBondContact O-N 2.9Å; K126-F128 VanDerWaalsContact O-N 3.14Å; F128-L130 HydrophobicContact CD1-CD2 4.04Å; F128-L130 HydrophobicContact CD1-CG 4.06Å; F128-L130 HydrophobicContact CE1-CD2 3.76Å; F128-L130 HydrophobicContact CE1-CG 4.31Å; F128-L130 PolarHBondContact O-N 3.14Å; F128-L130 VanDerWaalsContact O-N 3.12Å
129D59.8Low50Low77 Ų77145.5 Ų145.541%0.41275%0.748SS.*  trans-78.593.1-178.1-177.226.5000108.6Q127 L131 S132Q127-D129 PolarHBondContact O-N 3.13Å; D129-L131 PolarHBondContact O-N 3.12Å; D129-L131 VanDerWaalsContact OD1-CB 3.27Å; D129-L131 WeakPolarHBondContact OD1-CB 3.45Å; D129-L131 PolarHBondContact OD1-N 2.81Å; D129-S132 WeakPolarHBondContact O-CB 3.27Å; D129-S132 PolarHBondContact O-N 2.97Å; D129-S132 PolarHBondContact OD2-OG 3.26Å
130L64.1Low51Low120 Ų120138.9 Ų138.963%0.62873%0.728SS**Hα-helixtrans-60.7-10.1174.5-73.5163.6000112.7F128F128-L130 HydrophobicContact CD1-CD2 4.04Å; F128-L130 HydrophobicContact CD1-CG 4.06Å; F128-L130 HydrophobicContact CE1-CD2 3.76Å; F128-L130 HydrophobicContact CE1-CG 4.31Å; F128-L130 PolarHBondContact O-N 3.14Å; F128-L130 VanDerWaalsContact O-N 3.12Å
131L58.7Low51.9Low142 Ų142140 Ų14074%0.74373%0.731SS**Hα-helixtrans-81.9-22.8172.8-54.6172.7000112.5D129D129-L131 PolarHBondContact O-N 3.12Å; D129-L131 VanDerWaalsContact OD1-CB 3.27Å; D129-L131 WeakPolarHBondContact OD1-CB 3.45Å; D129-L131 PolarHBondContact OD1-N 2.81Å
132S58.3Low52.6Low89 Ų89137.5 Ų137.562%0.62273%0.73SS**Hα-helixtrans-77.9-25.3176.1-710000112.9D129D129-S132 WeakPolarHBondContact O-CB 3.27Å; D129-S132 PolarHBondContact O-N 2.97Å; D129-S132 PolarHBondContact OD2-OG 3.26Å
133D55.4Low53.1Low131 Ų131133.9 Ų133.970%0.70173%0.728SS**Hα-helixtrans-80-26.6178.4-168.444.9000112.8G135D133-G135 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact O-N 3.07Å
134L56Low53.6Low157 Ų157131.6 Ų131.682%0.82273%0.728SS**THydrogen-bonded Turntrans-84.1-6.4178.3-164.259.9000113.3
135G59.8Low54Low63 Ų63132.8 Ų132.865%0.64973%0.734SS**THydrogen-bonded Turntrans-100.2-0.9-172.700000116D133 D137D133-G135 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact O-N 3.07Å; G135-D137 PolarHBondContact O-N 2.8Å
136S55.9Low53.7Low89 Ų89128.4 Ų128.462%0.62273%0.728SS**SBendtrans-79105.7172.561.20000109.7I138S136-I138 PolarHBondContact O-N 3.16Å
137D55.4Low53.2Low105 Ų105125.7 Ų125.756%0.56173%0.728SS**  trans-29.5108.4172.3-1749.1000114.5G135 F139 A140G135-D137 PolarHBondContact O-N 2.8Å; D137-F139 PolarHBondContact O-N 3.49Å; D137-F139 WeakPolarHBondContact OD1-CA 3.45Å; D137-F139 WeakPolarHBondContact OD1-CB 3.47Å; D137-F139 PolarHBondContact OD1-N 3.31Å; D137-A140 HydrophobicContact CB-CB 4.09Å; D137-A140 WeakPolarHBondContact O-CB 3.35Å; D137-A140 PolarHBondContact O-N 3.38Å
138I59.8Low52.7Low166 Ų166121.3 Ų121.385%0.85172%0.723SS**THydrogen-bonded Turntrans-69.5-13.2174.9-67.2173.8000111.6S136S136-I138 PolarHBondContact O-N 3.16Å
139F56Low52.6Low195 Ų195119.3 Ų119.386%0.85573%0.726SS**THydrogen-bonded Turntrans-90.9-3.3173.5-75.5-89.4000113.6D137 A141D137-F139 PolarHBondContact O-N 3.49Å; D137-F139 WeakPolarHBondContact OD1-CA 3.45Å; D137-F139 WeakPolarHBondContact OD1-CB 3.47Å; D137-F139 PolarHBondContact OD1-N 3.31Å; F139-A141 PolarHBondContact O-N 3.21Å
140A57.6Low52Low62 Ų62119.5 Ų119.551%0.51274%0.739SS.*SBendtrans-77.1105.517500000110.4D137D137-A140 HydrophobicContact CB-CB 4.09Å; D137-A140 WeakPolarHBondContact O-CB 3.35Å; D137-A140 PolarHBondContact O-N 3.38Å
141A52Low51.6Low91 Ų91121.4 Ų121.475%0.75275%0.75SS**PPolyproline II helixtrans-54.6130.1-17800000112.7F139 A143F139-A141 PolarHBondContact O-N 3.21Å; A141-A143 PolarHBondContact O-N 3.17Å
142P48.2Very low51.1Low127 Ų127124.4 Ų124.483%0.82576%0.757SS**PPolyproline II helixtrans-70.9129.6171.426.4-30.5000110.8
143A47.8Very low51Low88 Ų88124.8 Ų124.873%0.72777%0.766SS**PPolyproline II helixtrans-61.3150.6172.500000111.8A141 Q145A141-A143 PolarHBondContact O-N 3.17Å; A143-Q145 PolarHBondContact O-N 2.9Å
144P46.9Very low51.2Low125 Ų125124.7 Ų124.781%0.81277%0.765SS**PPolyproline II helixtrans-79.5116.7-176.631.9-30.8000110.1
145Q43.6Very low51.1Low198 Ų198126.7 Ų126.793%0.92577%0.768SS**  trans-122.5113.7160.3-80.4-166.3-57.700110.3A143A143-Q145 PolarHBondContact O-N 2.9Å
146S42.9Very low51.1Low104 Ų104128.5 Ų128.573%0.72778%0.776SS**  trans-77.9158.1174.6-570000111.8
147T38.1Very low50.9Low141 Ų141131.2 Ų131.287%0.86578%0.779SS**  trans93.4103.3157.969.20000118.1
148A39.3Very low50.8Low91 Ų91135.9 Ų135.975%0.75279%0.794SS**  177.7108.9102.700000111.8
149T49.9Very low50Low145 Ų145133.5 Ų133.589%0.8978%0.783SS**  trans24.9106.6141.141.90000120.6
150A47.2Very low49.8Very low81 Ų81128.3 Ų128.367%0.66977%0.771SS**  trans-159.1110.8139.900000111.6F152A150-F152 PolarHBondContact O-N 3.41Å
151N55.6Low49.4Very low160 Ų160134.2 Ų134.286%0.85679%0.788SS**  trans34.978.5146.1-72.2-7.9000120.5
152F48.2Very low49.1Very low204 Ų204134 Ų13490%0.89579%0.786SS**  trans-123.763.6150.2-65.3-82.7000109.7A150 N154A150-F152 PolarHBondContact O-N 3.41Å; F152-N154 PolarHBondContact O-N 3.31Å
153A55.6Low48.7Very low98 Ų98131.2 Ų131.281%0.8177%0.774SS**  trans-72.3116.4162.600000107.9
154N58.4Low48.5Very low128 Ų128135.9 Ų135.968%0.68478%0.781SS**  150.372.7128.6-162.34.7000113.6F152F152-N154 PolarHBondContact O-N 3.31Å
155F54.9Low48Very low200 Ų200137.5 Ų137.588%0.87778%0.782SS**SBendtrans-124.13.7159.8-70.4-72.6000113H157F155-H157 PolarHBondContact O-N 3.2Å
156A58.9Low48.2Very low100 Ų100133.4 Ų133.483%0.82678%0.776SS**  trans-100.144.9-173.100000112.9
157H53Low48.2Very low146 Ų146132.8 Ų132.868%0.67678%0.777SS**  trans-12755.6167.9-147.478000112.2F155 N159F155-H157 PolarHBondContact O-N 3.2Å; H157-N159 PolarHBondContact O-N 3.01Å
158F52.5Low48.6Very low204 Ų204134 Ų13490%0.89578%0.778SS**  trans-92.570150.9-78.6-84.5000107.5S160F158-S160 PolarHBondContact O-N 3.19Å
159N43.9Very low48.9Very low116 Ų116134.1 Ų134.162%0.6278%0.779SS**  trans-72.6121.1166.7-163.811.8000108H157H157-N159 PolarHBondContact O-N 3.01Å
160S52.1Low49Very low85 Ų85134.4 Ų134.459%0.59478%0.775SS**  trans-7.8122.5156.963.90000117F158F158-S160 PolarHBondContact O-N 3.19Å
161H48.7Very low49Very low186 Ų186139.8 Ų139.886%0.86178%0.784SS**  trans-134.494.5134-132.766.1000109.3
162A45Very low48.9Very low86 Ų86135.1 Ų135.171%0.71177%0.767SS**  trans-73.3149.7152.200000108.7
163A39.7Very low48.7Very low70 Ų70132 Ų13258%0.57976%0.76SS**  trans93.9107.4159.200000118.9
164Q43.6Very low48.6Very low186 Ų186136.8 Ų136.887%0.86976%0.763SS**  56.7108.9125.4-67.2169.3-100.800118.5
165N36.2Very low48.6Very low159 Ų159137.5 Ų137.585%0.8577%0.766SS**  -163.6146.4116.5-137-33.9000113.2
166S49.1Very low48.4Very low112 Ų112132.7 Ų132.778%0.78376%0.764SS**  trans-44.2132172.6-69.50000114.8
167A42.3Very low48Very low91 Ų91138.1 Ų138.175%0.75277%0.769SS**  trans-161119.7132.700000107.8A169A167-A169 PolarHBondContact O-N 2.96Å
168N46.4Very low47.9Very low167 Ų167133.8 Ų133.889%0.89376%0.764SS**  trans-45.2110.9168.2-117.1-28.1000109D170N168-D170 VanDerWaalsContact C-N 3.3Å; N168-D170 PolarHBondContact O-N 3.45Å
169A46.6Very low47.4Very low92 Ų92133.9 Ų133.976%0.7677%0.767SS**  trans-72.395.7166.800000106.7A167 F171A167-A169 PolarHBondContact O-N 2.96Å; A169-F171 PolarHBondContact O-N 3.03Å
170D51Low47.2Very low152 Ų152133 Ų13381%0.81377%0.77SS**  trans-60.494.7178.7-149.8-14.1000109.3N168 A172N168-D170 VanDerWaalsContact C-N 3.3Å; N168-D170 PolarHBondContact O-N 3.45Å; D170-A172 PolarHBondContact O-N 3.49Å
171F47.6Very low47Very low194 Ų194134.4 Ų134.485%0.85178%0.78SS**  trans-83.8103.9-178.6-171.2-91.8000108.3A169A169-F171 PolarHBondContact O-N 3.03Å
172A54.3Low46.5Very low62 Ų62129.1 Ų129.151%0.51278%0.776SS.*  trans50.385.5161.400000116.1D170 F174D170-A172 PolarHBondContact O-N 3.49Å; A172-F174 HydrophobicContact CB-CD2 4.32Å; A172-F174 HydrophobicContact CB-CE2 4.31Å; A172-F174 PolarHBondContact O-N 3.35Å; A172-F174 VanDerWaalsContact O-N 3.16Å
173N42.4Very low46.5Very low137 Ų137130.1 Ų130.173%0.73378%0.778SS**  trans-69.9104160.4-170-16.3000109.5D175N173-D175 PolarHBondContact O-N 3.37Å
174F54.5Low46.9Very low200 Ų200131.5 Ų131.588%0.87778%0.783SS**  trans-84.291.7169.7-91.6-93.1000109.4A172A172-F174 HydrophobicContact CB-CD2 4.32Å; A172-F174 HydrophobicContact CB-CE2 4.31Å; A172-F174 PolarHBondContact O-N 3.35Å; A172-F174 VanDerWaalsContact O-N 3.16Å
175D58.9Low47.4Very low142 Ų142130.3 Ų130.376%0.75978%0.783SS**  trans-133.164.8172.9-1582.5000111.7N173N173-D175 PolarHBondContact O-N 3.37Å
176A49.9Very low47.6Very low100 Ų100132.8 Ų132.883%0.82679%0.786SS**  trans-151.831.2173.200000114.5
177F50.5Low47.5Very low214 Ų214130.6 Ų130.694%0.93978%0.781SS**SBendtrans-121.2102.2164.1-147.8-91.8000110.9
178G51.7Low47.3Very low55 Ų55129.9 Ų129.957%0.56778%0.782SS**  trans93.3102.3151.900000116.2
179Q40.3Very low47.4Very low205 Ų205131 Ų13196%0.95878%0.78SS**  trans150.5132.5145.9-84.1159.476.600107.1
180S40.1Very low47.9Very low97 Ų97132.9 Ų132.968%0.67878%0.784SS**  cis-171.7142.62.21700000105
181S47.1Very low47.7Very low116 Ų116132.1 Ų132.181%0.81179%0.785SS**  trans54.8112148.4-48.80000119.9
182G39.7Very low47.5Very low75 Ų75126.9 Ų126.977%0.77378%0.778SS**  trans177.983.9163.300000114.4
183S45.3Very low47.2Very low107 Ų107129.7 Ų129.775%0.74879%0.794SS**  trans45131.1139.6-1730000121.2
184S47.5Very low47.5Very low98 Ų98132 Ų13269%0.68580%0.8SS**  trans84.5111.9141.147.90000120.7
185N53.4Low47.2Very low162 Ų162127.6 Ų127.687%0.86679%0.794SS**  trans70.985.2139.2-72.529.8000118.6
186F40.6Very low46.6Very low211 Ų211126.7 Ų126.793%0.92580%0.798SS**  trans-128.8128.2148.7-155.5-103.4000110.1G188F186-G188 PolarHBondContact O-N 3.39Å
187G47.4Very low46.5Very low65 Ų65131.8 Ų131.867%0.6780%0.802SS**PPolyproline II helixtrans-54.5121-163.900000114.7
188G38.8Very low46.7Very low76 Ų76129.7 Ų129.778%0.78480%0.795SS**PPolyproline II helixtrans-84.4125.916700000110.8F186F186-G188 PolarHBondContact O-N 3.39Å
189F47.3Very low46.8Very low192 Ų192132.6 Ų132.684%0.84280%0.804SS**PPolyproline II helixtrans-55.7147.7170.6-62.7-96.1000111.8T191F189-T191 PolarHBondContact O-N 3.47Å
190P56.9Low46.8Very low130 Ų130135.2 Ų135.284%0.84482%0.817SS**PPolyproline II helixtrans-68.9118.9169.127.7-31000109.9
191T46.5Very low47.2Very low136 Ų136137.1 Ų137.183%0.83482%0.823SS**PPolyproline II helixtrans-67.4137168.8178.40000110.2F189F189-T191 PolarHBondContact O-N 3.47Å
192A43.9Very low47.2Very low84 Ų84138.2 Ų138.269%0.69482%0.824SS**PPolyproline II helixtrans-67.4137.6178.900000111.3H194A192-H194 PolarHBondContact O-N 3.37Å
193S47.7Very low47.6Very low122 Ų122141.7 Ų141.785%0.85383%0.827SS**  trans-63.4112175.335.40000111.7
194H49.7Very low47.7Very low185 Ų185143.8 Ų143.886%0.85683%0.832SS**  trans-82.9119.8165.7-111.2-99.3000109.5A192A192-H194 PolarHBondContact O-N 3.37Å
195S48.9Very low47.8Very low108 Ų108146.6 Ų146.676%0.75584%0.841SS**  trans-72125.4171.833.70000111.4
196S46.1Very low47.4Very low122 Ų122145.6 Ų145.685%0.85384%0.839SS**  trans-82.3111.9171.9-54.60000110.1
197F46.7Very low47.9Very low208 Ų208140.9 Ų140.991%0.91283%0.833SS**  trans-80.5120.2163.5-118.6-96.1000107.8
198Q54Low47.9Very low169 Ų169146.8 Ų146.879%0.7985%0.845SS**  trans-111.5127.7172.5-171.6176.5-23.400108.6
199P54.6Low48.7Very low117 Ų117152.7 Ų152.776%0.7685%0.85SS**  trans-91.8146.9165.133.6-26.4000110.7
200Q41.5Very low48.8Very low259 Ų259149.1 Ų149.1100%1.2185%0.851SS**  trans86.40172.1-121.7179.620.100117.8

Retrieved 200 of 200 residues in 232.6 ms (Link to these results)