U3IGI9_ANAPP Loading...

Protein BUD31 homolog

AlphaFold DB , UniProt , Accession U3IGI9, Species ANAPP (Anas platyrhynchos platyrhynchos, Northern mallard), Gene BUD31, Length 144 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
1M56.8Low80.6Confident194 Ų194120.6 Ų120.696%0.95658%0.583SS**  0124.50-76.41767600108.7R30M1-R30 VanDerWaalsContact O-CZ 3.3Å; M1-R30 PolarHBondContact O-NH1 3.28Å; M1-R30 VanDerWaalsContact O-NH1 3.12Å; M1-R30 PolarHBondContact O-NH2 3.25Å
2P73.3Confident81.8Confident81 Ų81112 Ų11253%0.52654%0.544SS..PPolyproline II helixtrans-62.9158.3-178.727.1-34.2000111.2
3K80.2Confident82.8Confident58 Ų58114.9 Ų114.925%0.25256%0.564SS.*PPolyproline II helixtrans-60.5138.7176.1-174.7-176.6-177.4-175.70110.2K5 E81 G82 Y83K3-K5 PolarHBondContact O-N 2.83Å; K3-K5 VanDerWaalsContact O-N 3.11Å; K3-E81 PolarHBondContact NZ-O 2.95Å; K3-G82 PolarHBondContact NZ-O 3.41Å; K3-Y83 HydrophobicContact CD-CE1 4.28Å
4V83.6Confident83.6Confident132 Ų132109.3 Ų109.380%0.855%0.55SS*.PPolyproline II helixtrans-63.1116.1173.41800000108.9
5K83.1Confident84.4Confident70 Ų70102.4 Ų102.430%0.30452%0.515SS..PPolyproline II helixtrans-68.9134178.1-65.3178177.7-178.10109.5K3 E19 Y77 E81K3-K5 PolarHBondContact O-N 2.83Å; K3-K5 VanDerWaalsContact O-N 3.11Å; K5-E19 IonicContact NZ-OE1 3.6Å; K5-Y77 WeakPolarHBondContact CD-OH 3.34Å; K5-E81 WeakPolarHBondContact CA-OE2 3.49Å
6R83.3Confident85Confident195 Ų195106.1 Ų106.174%0.73653%0.53SS*.SBendtrans-78.3-38.2175.8-64.2178.5175.2-177.9-3.1110.8E81R6-E81 PolarHBondContact N-OE2 3.3Å
7S81.4Confident85.6Confident26 Ų26108.2 Ų108.218%0.18254%0.542CS..  trans-74.9133172-177.70000111.2K9 E81S7-K9 VanDerWaalsContact C-N 3.27Å; S7-K9 WeakPolarHBondContact OG-CB 3.26Å; S7-K9 PolarHBondContact OG-N 3.17Å; S7-K9 VanDerWaalsContact OG-N 3.07Å; S7-E81 WeakPolarHBondContact CB-OE1 3.48Å; S7-E81 PolarHBondContact N-OE1 3.48Å
8R81.1Confident86.2Confident259 Ų259102.4 Ų102.498%0.97751%0.513SS*.SBendtrans-79.8-10167.8-63-176.4-178.8-179.8-0.5113
9K85.3Confident86.7Confident161 Ų161100 Ų10070%0.750%0.5SS*.SBendtrans-75.8146.8176.4-62.5-172.6176.5-172.10110.3S7S7-K9 VanDerWaalsContact C-N 3.27Å; S7-K9 WeakPolarHBondContact OG-CB 3.26Å; S7-K9 PolarHBondContact OG-N 3.17Å; S7-K9 VanDerWaalsContact OG-N 3.07Å
10P86.9Confident87.2Confident108 Ų10898.6 Ų98.670%0.70150%0.498SS*.PPolyproline II helixtrans-57.6152.217126.7-34.4000110.4
11P91.1Very high87.7Confident43 Ų4396.2 Ų96.228%0.27949%0.489SS..PPolyproline II helixtrans-64.2149.9175.129.7-34.6000110.6W15 Y77P11-W15 HydrophobicContact CB-CB 3.69Å; P11-W15 HydrophobicContact CB-CD2 3.84Å; P11-W15 HydrophobicContact CB-CG 3.39Å; P11-W15 HydrophobicContact CG-CB 4.15Å; P11-W15 VanDerWaalsContact CG-CD1 3.49Å; P11-W15 HydrophobicContact CG-CG 3.79Å; P11-Y77 HydrophobicContact CB-CE1 4.06Å
12P95.3Very high89.5Confident17 Ų1787 Ų8711%0.1144%0.443CS..PPolyproline II helixtrans-66.8166177.8-20.133.2000113.4W15 E73 L74 Y77P12-W15 VanDerWaalsContact O-CB 3.28Å; P12-W15 WeakPolarHBondContact O-CB 3.39Å; P12-W15 PolarHBondContact O-N 3.37Å; P12-E73 HydrophobicContact CB-CG 3.96Å; P12-E73 HydrophobicContact CG-CG 3.86Å; P12-L74 HydrophobicContact CB-CB 4.31Å; P12-L74 HydrophobicContact CB-CD1 4.23Å; P12-L74 HydrophobicContact CG-CD1 4.32Å; P12-Y77 HydrophobicContact CG-CD2 4.3Å; P12-Y77 HydrophobicContact CG-CG 3.99Å
13D94.8Very high90.6Very high150 Ų15085.6 Ų85.680%0.80243%0.431SS*.THydrogen-bonded Turntrans-54.2138.7176.8-65.6-21000112.5
14G94.1Very high91.4Very high36 Ų3688.1 Ų88.137%0.37144%0.444SS..THydrogen-bonded Turntrans86.4-0.5-177.300000114.8E16 L17G14-E16 VanDerWaalsContact C-N 3.33Å; G14-E16 PolarHBondContact O-N 3.5Å; G14-L17 PolarHBondContact O-N 2.85Å
15W95.5Very high92Very high6 Ų682.1 Ų82.12%0.02341%0.408CS..G310 helixtrans-58.7-41.4175.7174.2-101.9000113.2P11 P12 L17 I18 E19 L22 L74 Y77 Y83P11-W15 HydrophobicContact CB-CB 3.69Å; P11-W15 HydrophobicContact CB-CD2 3.84Å; P11-W15 HydrophobicContact CB-CG 3.39Å; P11-W15 HydrophobicContact CG-CB 4.15Å; P11-W15 VanDerWaalsContact CG-CD1 3.49Å; P11-W15 HydrophobicContact CG-CG 3.79Å; P12-W15 VanDerWaalsContact O-CB 3.28Å; P12-W15 WeakPolarHBondContact O-CB 3.39Å; P12-W15 PolarHBondContact O-N 3.37Å; W15-L17 PolarHBondContact O-N 2.83Å; W15-L17 VanDerWaalsContact O-N 3.09Å; W15-I18 HydrophobicContact CE3-CD1 3.92Å; W15-I18 HydrophobicContact CE3-CG1 4.05Å; W15-I18 HydrophobicContact CZ3-CD1 4.11Å; W15-I18 HydrophobicContact CZ3-CG1 4.39Å; W15-I18 VanDerWaalsContact O-CG1 3.28Å; W15-I18 WeakPolarHBondContact O-CG1 3.41Å; W15-I18 PolarHBondContact O-N 3.4Å; W15-E19 HydrophobicContact CD2-CB 4.36Å; W15-E19 HydrophobicContact CZ2-CB 4.02Å; W15-E19 HydrophobicContact CZ2-CG 3.91Å; W15-E19 PolarHBondContact NE1-OE1 3.13Å; W15-E19 PolarHBondContact NE1-OE2 3.02Å; W15-E19 WeakPolarHBondContact O-CB 3.41Å; W15-E19 PolarHBondContact O-N 3.06Å; W15-L22 HydrophobicContact CH2-CD1 3.6Å; W15-L22 HydrophobicContact CZ3-CD1 3.57Å; W15-L74 HydrophobicContact CB-CD1 4.01Å; W15-L74 HydrophobicContact CE3-CD1 3.91Å; W15-Y77 HydrophobicContact CD2-CE1 4.35Å; W15-Y77 HydrophobicContact CE3-CD1 4.13Å; W15-Y77 AromaticContact CE3-CE1 3.85Å; W15-Y77 HydrophobicContact CE3-CE1 3.85Å; W15-Y77 HydrophobicContact CH2-CE1 4.4Å; W15-Y77 HydrophobicContact CZ3-CD1 4.22Å; W15-Y77 AromaticContact CZ3-CE1 3.88Å; W15-Y77 HydrophobicContact CZ3-CE1 3.88Å; W15-Y83 HydrophobicContact CH2-CD2 4.05Å; W15-Y83 HydrophobicContact CH2-CE1 4.26Å; W15-Y83 AromaticContact CH2-CE2 3.46Å; W15-Y83 HydrophobicContact CH2-CE2 3.46Å; W15-Y83 VanDerWaalsContact CH2-CE2 3.46Å; W15-Y83 AromaticContact CH2-CZ 3.59Å; W15-Y83 HydrophobicContact CZ2-CE2 4.39Å; W15-Y83 HydrophobicContact CZ3-CD2 4.27Å; W15-Y83 HydrophobicContact CZ3-CE2 4.04Å
16E95.1Very high92.6Very high162 Ų16279.5 Ų79.576%0.75740%0.397SS*.G310 helixtrans-57.3-27.5-179.2-61.6175.1-177.800113.1G14 P20G14-E16 VanDerWaalsContact C-N 3.33Å; G14-E16 PolarHBondContact O-N 3.5Å; E16-P20 WeakPolarHBondContact O-CD 3.33Å
17L94.6Very high93.2Very high141 Ų14174.3 Ų74.374%0.73838%0.381SS*.G310 helixtrans-77.6-23.3179.4-59.1177000113.1G14 W15G14-L17 PolarHBondContact O-N 2.85Å; W15-L17 PolarHBondContact O-N 2.83Å; W15-L17 VanDerWaalsContact O-N 3.09Å
18I96.3Very high94Very high5 Ų577.6 Ų77.63%0.02639%0.392CS..THydrogen-bonded Turntrans-110.8-22.5-175.465.8168.2000112.9W15 T21 L22 Y59 I60 L63 I70 L74W15-I18 HydrophobicContact CE3-CD1 3.92Å; W15-I18 HydrophobicContact CE3-CG1 4.05Å; W15-I18 HydrophobicContact CZ3-CD1 4.11Å; W15-I18 HydrophobicContact CZ3-CG1 4.39Å; W15-I18 VanDerWaalsContact O-CG1 3.28Å; W15-I18 WeakPolarHBondContact O-CG1 3.41Å; W15-I18 PolarHBondContact O-N 3.4Å; I18-T21 PolarHBondContact O-N 3.03Å; I18-L22 HydrophobicContact CD1-CD1 4.05Å; I18-L22 HydrophobicContact CG1-CD1 4.23Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 2.83Å; I18-Y59 HydrophobicContact CB-CE1 4.24Å; I18-I60 HydrophobicContact CD1-CD1 4.18Å; I18-L63 HydrophobicContact CG2-CD1 3.62Å; I18-I70 HydrophobicContact CG2-CG2 4.06Å; I18-L74 HydrophobicContact CD1-CD1 4.17Å; I18-L74 HydrophobicContact CD1-CD2 3.88Å; I18-L74 HydrophobicContact CD1-CG 4.01Å; I18-L74 HydrophobicContact CG1-CD2 4.46Å
19E95.4Very high94.7Very high56 Ų5666.2 Ų66.226%0.26235%0.35SS..Hα-helixtrans-54.3-47.9-178179.9171.1-123.700112.8K5 W15 T21 L22 D23K5-E19 IonicContact NZ-OE1 3.6Å; W15-E19 HydrophobicContact CD2-CB 4.36Å; W15-E19 HydrophobicContact CZ2-CB 4.02Å; W15-E19 HydrophobicContact CZ2-CG 3.91Å; W15-E19 PolarHBondContact NE1-OE1 3.13Å; W15-E19 PolarHBondContact NE1-OE2 3.02Å; W15-E19 WeakPolarHBondContact O-CB 3.41Å; W15-E19 PolarHBondContact O-N 3.06Å; E19-T21 VanDerWaalsContact C-N 3.33Å; E19-T21 PolarHBondContact O-N 3.44Å; E19-L22 PolarHBondContact O-N 3.21Å; E19-L22 VanDerWaalsContact O-N 3.09Å; E19-D23 WeakPolarHBondContact O-CB 3.36Å; E19-D23 PolarHBondContact O-N 3.45Å
20P96.8Very high95.2Very high71 Ų7163 Ų6346%0.46133%0.334SS..Hα-helixtrans-58.4-44-178.5-25.135000112.6E16 D23 E24E16-P20 WeakPolarHBondContact O-CD 3.33Å; P20-D23 PolarHBondContact O-N 3.41Å; P20-E24 WeakPolarHBondContact O-CG 3.4Å; P20-E24 PolarHBondContact O-N 2.8Å
21T97.1Very high95.6Very high49 Ų4962.7 Ų62.730%0.30132%0.323SS..Hα-helixtrans-68.5-36178.4-52.20000112.2I18 E19 L25 Y59I18-T21 PolarHBondContact O-N 3.03Å; E19-T21 VanDerWaalsContact C-N 3.33Å; E19-T21 PolarHBondContact O-N 3.44Å; T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 VanDerWaalsContact O-CG 3.28Å; T21-L25 WeakPolarHBondContact O-CG 3.43Å; T21-L25 PolarHBondContact O-N 3.37Å; T21-L25 VanDerWaalsContact O-N 3.13Å; T21-Y59 HydrophobicContact CG2-CD1 4.21Å; T21-Y59 HydrophobicContact CG2-CD2 4.33Å; T21-Y59 HydrophobicContact CG2-CE1 3.8Å; T21-Y59 HydrophobicContact CG2-CE2 3.96Å; T21-Y59 HydrophobicContact CG2-CG 4.45Å; T21-Y59 PolarHBondContact OG1-OH 3.46Å
22L96.2Very high95.8Very high0 Ų061.1 Ų61.10%031%0.314CS..Hα-helixtrans-68.8-39.9176.1-72178.2000111.8W15 I18 E19 L25 D26 K56 Y59 I60 Y83W15-L22 HydrophobicContact CH2-CD1 3.6Å; W15-L22 HydrophobicContact CZ3-CD1 3.57Å; I18-L22 HydrophobicContact CD1-CD1 4.05Å; I18-L22 HydrophobicContact CG1-CD1 4.23Å; I18-L22 WeakPolarHBondContact O-CG 3.45Å; I18-L22 PolarHBondContact O-N 2.83Å; E19-L22 PolarHBondContact O-N 3.21Å; E19-L22 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 3.09Å; L22-D26 WeakPolarHBondContact O-CB 3.19Å; L22-D26 PolarHBondContact O-N 2.98Å; L22-K56 HydrophobicContact CD2-CD 4.46Å; L22-K56 HydrophobicContact CD2-CG 3.86Å; L22-Y59 HydrophobicContact CD2-CD1 3.95Å; L22-Y59 HydrophobicContact CD2-CE1 4.3Å; L22-Y59 HydrophobicContact CG-CD1 4.49Å; L22-Y59 HydrophobicContact CG-CE1 4.33Å; L22-I60 HydrophobicContact CD1-CD1 4.24Å; L22-I60 HydrophobicContact CD2-CD1 4.08Å; L22-I60 HydrophobicContact CD2-CG1 4.31Å; L22-Y83 HydrophobicContact CB-CD1 4.24Å; L22-Y83 HydrophobicContact CB-CE1 4.38Å; L22-Y83 HydrophobicContact CD1-CD1 4.05Å; L22-Y83 HydrophobicContact CD1-CE1 4.49Å; L22-Y83 HydrophobicContact CD1-CG 4.07Å; L22-Y83 HydrophobicContact CD2-CD1 4.27Å; L22-Y83 HydrophobicContact CG-CD1 4.43Å
23D95.4Very high95.8Very high52 Ų5266.4 Ų66.428%0.27834%0.337SS..Hα-helixtrans-65.5-40.5176.2-85.4-11.5000111.6E19 P20 L25 D26 Q27E19-D23 WeakPolarHBondContact O-CB 3.36Å; E19-D23 PolarHBondContact O-N 3.45Å; P20-D23 PolarHBondContact O-N 3.41Å; D23-L25 VanDerWaalsContact C-N 3.32Å; D23-L25 PolarHBondContact O-N 2.87Å; D23-D26 PolarHBondContact O-N 3.47Å; D23-Q27 VanDerWaalsContact O-CB 3.27Å; D23-Q27 WeakPolarHBondContact O-CB 3.47Å; D23-Q27 PolarHBondContact O-N 2.97Å
24E96.8Very high95.8Very high112 Ų11264.9 Ų64.952%0.52333%0.333SS..Hα-helixtrans-60-41.2172.1-76.5177-161.600112.3P20 Q27 K28P20-E24 WeakPolarHBondContact O-CG 3.4Å; P20-E24 PolarHBondContact O-N 2.8Å; E24-Q27 PolarHBondContact O-N 3.31Å; E24-K28 WeakPolarHBondContact O-CG 3.28Å; E24-K28 PolarHBondContact O-N 3.44Å
25L96.9Very high95.8Very high6 Ų667.5 Ų67.53%0.03134%0.336CS..Hα-helixtrans-71.1-36.2178.3-71.4170.6000112.2T21 L22 D23 M29 I52 Q55 K56T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 VanDerWaalsContact O-CG 3.28Å; T21-L25 WeakPolarHBondContact O-CG 3.43Å; T21-L25 PolarHBondContact O-N 3.37Å; T21-L25 VanDerWaalsContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 3.09Å; D23-L25 VanDerWaalsContact C-N 3.32Å; D23-L25 PolarHBondContact O-N 2.87Å; L25-M29 PolarHBondContact O-N 2.85Å; L25-I52 WeakPolarHBondContact O-CG2 3.16Å; L25-Q55 HydrophobicContact CD2-CB 4.43Å; L25-Q55 VanDerWaalsContact CD2-CD 3.49Å; L25-Q55 HydrophobicContact CD2-CG 3.81Å; L25-K56 HydrophobicContact CB-CB 4.48Å; L25-K56 HydrophobicContact CB-CD 4.22Å; L25-K56 HydrophobicContact CB-CG 4.21Å; L25-K56 HydrophobicContact CD1-CB 4.11Å; L25-K56 HydrophobicContact CD1-CG 4.05Å
26D95.8Very high95.7Very high15 Ų1571.3 Ų71.38%0.0836%0.361CS..Hα-helixtrans-69.9-36.2173.8-85.80.6000111.5L22 D23 M29 R30 K56 Y83L22-D26 WeakPolarHBondContact O-CB 3.19Å; L22-D26 PolarHBondContact O-N 2.98Å; D23-D26 PolarHBondContact O-N 3.47Å; D26-M29 WeakPolarHBondContact O-CB 3.28Å; D26-M29 PolarHBondContact O-N 3.09Å; D26-R30 WeakPolarHBondContact O-CG 3.46Å; D26-R30 PolarHBondContact O-N 2.89Å; D26-K56 VanDerWaalsContact OD1-CD 3.32Å; D26-K56 WeakPolarHBondContact OD1-CD 3.4Å; D26-K56 IonicContact OD1-NZ 2.71Å; D26-K56 PolarHBondContact OD1-NZ 2.72Å; D26-Y83 WeakPolarHBondContact OD2-CE1 3.4Å
27Q95.9Very high95.6Very high86 Ų8670.1 Ų70.140%0.40236%0.356SS..Hα-helixtrans-62.9-47.4172.7179.958.634.100110.9D23 E24 M29 R30 E31D23-Q27 VanDerWaalsContact O-CB 3.27Å; D23-Q27 WeakPolarHBondContact O-CB 3.47Å; D23-Q27 PolarHBondContact O-N 2.97Å; E24-Q27 PolarHBondContact O-N 3.31Å; Q27-M29 PolarHBondContact O-N 3.34Å; Q27-R30 PolarHBondContact O-N 3.5Å; Q27-R30 VanDerWaalsContact O-N 3.1Å; Q27-E31 PolarHBondContact NE2-OE1 3.27Å; Q27-E31 VanDerWaalsContact NE2-OE1 3.12Å; Q27-E31 WeakPolarHBondContact O-CG 3.35Å; Q27-E31 PolarHBondContact O-N 3Å
28K96.8Very high95.4Very high94 Ų9471.5 Ų71.541%0.40936%0.358SS..Hα-helixtrans-58.1-35.7172.8-75.7173.4-178.8168.70112.6E24 E31 A32 I52E24-K28 WeakPolarHBondContact O-CG 3.28Å; E24-K28 PolarHBondContact O-N 3.44Å; K28-E31 PolarHBondContact O-N 3.39Å; K28-A32 WeakPolarHBondContact O-CB 3.46Å; K28-A32 PolarHBondContact O-N 3.25Å; K28-I52 HydrophobicContact CB-CD1 4.09Å; K28-I52 WeakPolarHBondContact O-CD1 3.28Å
29M96.4Very high95.2Very high21 Ų2175.7 Ų75.710%0.10340%0.402CS..Hα-helixtrans-63.8-45.6175.6-175.164.981.900111L25 D26 Q27 E31 A32 E33 I49 I52 H53L25-M29 PolarHBondContact O-N 2.85Å; D26-M29 WeakPolarHBondContact O-CB 3.28Å; D26-M29 PolarHBondContact O-N 3.09Å; Q27-M29 PolarHBondContact O-N 3.34Å; M29-E31 VanDerWaalsContact C-N 3.31Å; M29-E31 PolarHBondContact O-N 3.18Å; M29-A32 WeakPolarHBondContact O-CB 3.46Å; M29-A32 PolarHBondContact O-N 3.46Å; M29-A32 VanDerWaalsContact O-N 3.17Å; M29-E33 WeakPolarHBondContact O-CG 3.47Å; M29-E33 PolarHBondContact O-N 2.95Å; M29-I49 HydrophobicContact CE-CG2 4.27Å; M29-I49 HydrophobicContact SD-CB 4.26Å; M29-I49 HydrophobicContact SD-CG1 4.35Å; M29-I49 HydrophobicContact SD-CG2 3.89Å; M29-I52 HydrophobicContact CB-CG2 4.08Å; M29-I52 HydrophobicContact CE-CB 3.86Å; M29-I52 HydrophobicContact CE-CG2 3.81Å; M29-I52 HydrophobicContact SD-CB 4.38Å; M29-I52 HydrophobicContact SD-CG2 4.44Å; M29-H53 HydrophobicContact CE-CB 4.12Å
30R95.8Very high95.1Very high92 Ų9276 Ų7635%0.34740%0.403SS..Hα-helixtrans-62.4-40.6177.8-66.5177.7-162.8-168.59111.8M1 D26 Q27 A32 E33 T34M1-R30 VanDerWaalsContact O-CZ 3.3Å; M1-R30 PolarHBondContact O-NH1 3.28Å; M1-R30 VanDerWaalsContact O-NH1 3.12Å; M1-R30 PolarHBondContact O-NH2 3.25Å; D26-R30 WeakPolarHBondContact O-CG 3.46Å; D26-R30 PolarHBondContact O-N 2.89Å; Q27-R30 PolarHBondContact O-N 3.5Å; Q27-R30 VanDerWaalsContact O-N 3.1Å; R30-A32 VanDerWaalsContact C-N 3.31Å; R30-A32 PolarHBondContact O-N 3.37Å; R30-E33 WeakPolarHBondContact O-CB 3.2Å; R30-E33 PolarHBondContact O-N 3.43Å; R30-T34 PolarHBondContact O-N 3.1Å; R30-T34 PolarHBondContact O-OG1 3.29Å
31E95.9Very high94.9Very high103 Ų10378.5 Ų78.548%0.48140%0.403SS..Hα-helixtrans-60.5-42.4174.5-71.8166.4-165.500111.6Q27 K28 M29 E33 T34 E35Q27-E31 PolarHBondContact NE2-OE1 3.27Å; Q27-E31 VanDerWaalsContact NE2-OE1 3.12Å; Q27-E31 WeakPolarHBondContact O-CG 3.35Å; Q27-E31 PolarHBondContact O-N 3Å; K28-E31 PolarHBondContact O-N 3.39Å; M29-E31 VanDerWaalsContact C-N 3.31Å; M29-E31 PolarHBondContact O-N 3.18Å; E31-E33 VanDerWaalsContact C-N 3.34Å; E31-T34 PolarHBondContact O-N 3.35Å; E31-T34 PolarHBondContact O-OG1 2.91Å; E31-E35 WeakPolarHBondContact O-CB 3.5Å; E31-E35 PolarHBondContact O-N 3.14Å
32A95.8Very high94.6Very high10 Ų1085.6 Ų85.68%0.08343%0.43CS..Hα-helixtrans-67.1-32.617500000113.2K28 M29 R30 P48 I52K28-A32 WeakPolarHBondContact O-CB 3.46Å; K28-A32 PolarHBondContact O-N 3.25Å; M29-A32 WeakPolarHBondContact O-CB 3.46Å; M29-A32 PolarHBondContact O-N 3.46Å; M29-A32 VanDerWaalsContact O-N 3.17Å; R30-A32 VanDerWaalsContact C-N 3.31Å; R30-A32 PolarHBondContact O-N 3.37Å; A32-P48 HydrophobicContact CB-CB 3.86Å; A32-I52 HydrophobicContact CB-CD1 3.77Å
33E94.4Very high94.6Very high128 Ų12888.4 Ų88.460%0.59845%0.447SS*.Hα-helixtrans-70.1-34.8175.7-73.7171.5175.900112.3M29 R30 E31M29-E33 WeakPolarHBondContact O-CG 3.47Å; M29-E33 PolarHBondContact O-N 2.95Å; R30-E33 WeakPolarHBondContact O-CB 3.2Å; R30-E33 PolarHBondContact O-N 3.43Å; E31-E33 VanDerWaalsContact C-N 3.34Å
34T95.1Very high94.5Very high117 Ų11788.1 Ų88.172%0.71844%0.444SS*.SBendtrans-93.2-0.8178.663.60000113.5R30 E31R30-T34 PolarHBondContact O-N 3.1Å; R30-T34 PolarHBondContact O-OG1 3.29Å; E31-T34 PolarHBondContact O-N 3.35Å; E31-T34 PolarHBondContact O-OG1 2.91Å
35E93.9Very high94.4Very high91 Ų9184.4 Ų84.443%0.42543%0.43SS..  trans-65.3130.1-176.9-155.7-179.2174.900110.5E31 K40E31-E35 WeakPolarHBondContact O-CB 3.5Å; E31-E35 PolarHBondContact O-N 3.14Å; E35-K40 IonicContact OE1-NZ 2.64Å; E35-K40 PolarHBondContact OE1-NZ 2.88Å; E35-K40 IonicContact OE2-NZ 2.86Å; E35-K40 PolarHBondContact OE2-NZ 3.13Å
36P94.1Very high94.3Very high87 Ų8788 Ų8857%0.56545%0.449SS*.  trans-62.5148.6175.225.9-33000110.5K40P36-K40 PolarHBondContact O-NZ 3.29Å
37H91.7Very high94.4Very high137 Ų13789 Ų8963%0.63445%0.452SS*.  trans-95.12.1179.758.5-86.4000112.6G39 K40H37-G39 PolarHBondContact O-N 3.17Å; H37-K40 PolarHBondContact O-N 3.43Å; H37-K40 VanDerWaalsContact O-N 3.14Å
38E91.7Very high94.4Very high170 Ų17085.8 Ų85.879%0.79444%0.438SS*.THydrogen-bonded Turntrans-59.6130.1176.3-67-176.9-176.500110.4K40E38-K40 VanDerWaalsContact C-N 3.26Å; E38-K40 PolarHBondContact O-N 3.5Å
39G91.4Very high94.4Very high92 Ų9283.8 Ų83.895%0.94843%0.431SS*.THydrogen-bonded Turntrans77.9-1.4-177.700000115.8H37H37-G39 PolarHBondContact O-N 3.17Å
40K93.5Very high94.5Very high63 Ų6384.9 Ų84.927%0.27444%0.436SS..SBendtrans-103.6148.9176.9-66.2175.7-175.2156.70111.9E35 P36 H37 E38 E44E35-K40 IonicContact OE1-NZ 2.64Å; E35-K40 PolarHBondContact OE1-NZ 2.88Å; E35-K40 IonicContact OE2-NZ 2.86Å; E35-K40 PolarHBondContact OE2-NZ 3.13Å; P36-K40 PolarHBondContact O-NZ 3.29Å; H37-K40 PolarHBondContact O-N 3.43Å; H37-K40 VanDerWaalsContact O-N 3.14Å; E38-K40 VanDerWaalsContact C-N 3.26Å; E38-K40 PolarHBondContact O-N 3.5Å; K40-E44 HydrophobicContact CB-CB 4.23Å
41R93.3Very high94.6Very high124 Ų12488.6 Ų88.647%0.46845%0.45SS..  trans-63.8150165.7-62.1-179-74.9175.2-6.7109.4V43 E44 S45 E133R41-V43 HydrophobicContact CB-CG2 4.41Å; R41-V43 PolarHBondContact O-N 3.32Å; R41-E44 HydrophobicContact CB-CB 4.21Å; R41-E44 HydrophobicContact CB-CG 3.88Å; R41-E44 WeakPolarHBondContact CB-OE2 3.32Å; R41-E44 HydrophobicContact CG-CG 4.44Å; R41-E44 WeakPolarHBondContact CG-OE2 3.47Å; R41-E44 IonicContact CZ-OE1 3.25Å; R41-E44 PolarHBondContact N-OE2 3.45Å; R41-E44 IonicContact NE-OE1 2.81Å; R41-E44 PolarHBondContact NE-OE1 3.05Å; R41-E44 IonicContact NE-OE2 3.42Å; R41-E44 IonicContact NH2-OE1 2.77Å; R41-E44 PolarHBondContact NH2-OE1 2.99Å; R41-E44 WeakPolarHBondContact O-CB 3.36Å; R41-E44 PolarHBondContact O-N 2.98Å; R41-S45 PolarHBondContact O-N 2.79Å; R41-E133 IonicContact NH2-OE2 3.11Å; R41-E133 PolarHBondContact NH2-OE2 3.25Å
42K90.6Very high94.7Very high198 Ų19884.2 Ų84.286%0.86143%0.43SS*.THydrogen-bonded Turntrans-50.7-33.7178.7-176.7175.1-179.4176.40113.9S45K42-S45 PolarHBondContact O-OG 3.41Å; K42-S45 VanDerWaalsContact O-OG 3.06Å
43V94.4Very high94.8Very high59 Ų5986.7 Ų86.736%0.35844%0.439SS..THydrogen-bonded Turntrans-83.8-28.1178.6-63.10000113.2R41 L46 W47R41-V43 HydrophobicContact CB-CG2 4.41Å; R41-V43 PolarHBondContact O-N 3.32Å; V43-L46 PolarHBondContact O-N 3.21Å; V43-W47 HydrophobicContact CG2-CZ2 4.3Å; V43-W47 PolarHBondContact O-NE1 2.87Å; V43-W47 VanDerWaalsContact O-NE1 3.16Å
44E94.5Very high95Very high46 Ų4682.9 Ų82.922%0.21542%0.421CS..G310 helixtrans-70.8-31.2-176.1-77.6178.5158.600113K40 R41 L46 W47 P48K40-E44 HydrophobicContact CB-CB 4.23Å; R41-E44 HydrophobicContact CB-CB 4.21Å; R41-E44 HydrophobicContact CB-CG 3.88Å; R41-E44 WeakPolarHBondContact CB-OE2 3.32Å; R41-E44 HydrophobicContact CG-CG 4.44Å; R41-E44 WeakPolarHBondContact CG-OE2 3.47Å; R41-E44 IonicContact CZ-OE1 3.25Å; R41-E44 PolarHBondContact N-OE2 3.45Å; R41-E44 IonicContact NE-OE1 2.81Å; R41-E44 PolarHBondContact NE-OE1 3.05Å; R41-E44 IonicContact NE-OE2 3.42Å; R41-E44 IonicContact NH2-OE1 2.77Å; R41-E44 PolarHBondContact NH2-OE1 2.99Å; R41-E44 WeakPolarHBondContact O-CB 3.36Å; R41-E44 PolarHBondContact O-N 2.98Å; E44-L46 PolarHBondContact O-N 2.97Å; E44-L46 VanDerWaalsContact O-N 3.09Å; E44-W47 HydrophobicContact CB-CD2 4.24Å; E44-W47 HydrophobicContact CB-CE3 4.3Å; E44-W47 HydrophobicContact CG-CD2 3.93Å; E44-W47 HydrophobicContact CG-CE3 3.77Å; E44-W47 HydrophobicContact CG-CH2 3.63Å; E44-W47 HydrophobicContact CG-CZ2 3.73Å; E44-W47 HydrophobicContact CG-CZ3 3.63Å; E44-W47 WeakPolarHBondContact O-CB 3.41Å; E44-W47 PolarHBondContact O-N 3.14Å; E44-P48 WeakPolarHBondContact O-CD 3.34Å
45S94.3Very high95.1Very high34 Ų3481.6 Ų81.624%0.23841%0.407CS..G310 helixtrans-55.9-27.3175.756.70000112.6R41 K42R41-S45 PolarHBondContact O-N 2.79Å; K42-S45 PolarHBondContact O-OG 3.41Å; K42-S45 VanDerWaalsContact O-OG 3.06Å
46L95.1Very high95.3Very high81 Ų8178 Ų7842%0.42439%0.39SS..G310 helixtrans-91.4-12.4179.9-59.1178.4000113.9V43 E44 I49 F50V43-L46 PolarHBondContact O-N 3.21Å; E44-L46 PolarHBondContact O-N 2.97Å; E44-L46 VanDerWaalsContact O-N 3.09Å; L46-I49 HydrophobicContact CD2-CD1 3.93Å; L46-I49 WeakPolarHBondContact O-CB 3.48Å; L46-I49 PolarHBondContact O-N 3.45Å; L46-F50 WeakPolarHBondContact O-CD2 3.28Å; L46-F50 PolarHBondContact O-N 3.24Å
47W96.9Very high95.5Very high36 Ų3673.9 Ų73.914%0.13636%0.363CS..Hα-helixtrans-62.5-41.6-176.2-64.5-3000113.6V43 E44 I49 F50 R51 E133 C134 T135V43-W47 HydrophobicContact CG2-CZ2 4.3Å; V43-W47 PolarHBondContact O-NE1 2.87Å; V43-W47 VanDerWaalsContact O-NE1 3.16Å; E44-W47 HydrophobicContact CB-CD2 4.24Å; E44-W47 HydrophobicContact CB-CE3 4.3Å; E44-W47 HydrophobicContact CG-CD2 3.93Å; E44-W47 HydrophobicContact CG-CE3 3.77Å; E44-W47 HydrophobicContact CG-CH2 3.63Å; E44-W47 HydrophobicContact CG-CZ2 3.73Å; E44-W47 HydrophobicContact CG-CZ3 3.63Å; E44-W47 WeakPolarHBondContact O-CB 3.41Å; E44-W47 PolarHBondContact O-N 3.14Å; W47-I49 VanDerWaalsContact C-N 3.25Å; W47-I49 PolarHBondContact O-N 3.35Å; W47-F50 PolarHBondContact O-N 3.09Å; W47-R51 PolarHBondContact O-N 2.84Å; W47-E133 HydrophobicContact CH2-CB 4.02Å; W47-C134 WeakPolarHBondContact CZ2-O 3.31Å; W47-T135 PolarHBondContact NE1-O 3.38Å
48P97.3Very high95.8Very high19 Ų1968.7 Ų68.712%0.12334%0.338CS..Hα-helixtrans-57.5-37.9176.4-26.436.7000112.9A32 E44 F50 R51 I52A32-P48 HydrophobicContact CB-CB 3.86Å; E44-P48 WeakPolarHBondContact O-CD 3.34Å; P48-F50 PolarHBondContact O-N 3.06Å; P48-R51 WeakPolarHBondContact O-CB 3.44Å; P48-R51 PolarHBondContact O-N 3.4Å; P48-I52 VanDerWaalsContact O-CG1 3.28Å; P48-I52 WeakPolarHBondContact O-CG1 3.17Å; P48-I52 PolarHBondContact O-N 3.2Å
49I97Very high96.2Very high52 Ų5263.2 Ų63.227%0.26731%0.31SS..Hα-helixtrans-59.2-50.8178.2-59.4173.3000110.3M29 L46 W47 R51 I52 H53M29-I49 HydrophobicContact CE-CG2 4.27Å; M29-I49 HydrophobicContact SD-CB 4.26Å; M29-I49 HydrophobicContact SD-CG1 4.35Å; M29-I49 HydrophobicContact SD-CG2 3.89Å; L46-I49 HydrophobicContact CD2-CD1 3.93Å; L46-I49 WeakPolarHBondContact O-CB 3.48Å; L46-I49 PolarHBondContact O-N 3.45Å; W47-I49 VanDerWaalsContact C-N 3.25Å; W47-I49 PolarHBondContact O-N 3.35Å; I49-R51 VanDerWaalsContact C-N 3.31Å; I49-R51 PolarHBondContact O-N 2.75Å; I49-I52 PolarHBondContact O-N 3.24Å; I49-H53 VanDerWaalsContact O-CB 3.23Å; I49-H53 WeakPolarHBondContact O-CB 3.22Å; I49-H53 PolarHBondContact O-N 2.84Å
50F97.8Very high96.5Very high44 Ų4458.8 Ų58.819%0.19327%0.265CS..Hα-helixtrans-63.4-37.7177.3-74.2-74.2000112.4L46 W47 P48 H54 C102 R104 H136 C137L46-F50 WeakPolarHBondContact O-CD2 3.28Å; L46-F50 PolarHBondContact O-N 3.24Å; W47-F50 PolarHBondContact O-N 3.09Å; P48-F50 PolarHBondContact O-N 3.06Å; F50-H54 VanDerWaalsContact O-CB 3.27Å; F50-H54 WeakPolarHBondContact O-CB 3.37Å; F50-H54 PolarHBondContact O-N 3.35Å; F50-C102 HydrophobicContact CD1-CB 3.85Å; F50-C102 HydrophobicContact CE1-CB 4.4Å; F50-R104 HydrophobicContact CE1-CG 4.48Å; F50-H136 WeakPolarHBondContact CD2-O 3.44Å; F50-H136 WeakPolarHBondContact CE2-O 3.5Å; F50-C137 HydrophobicContact CB-CB 3.58Å; F50-C137 HydrophobicContact CD1-CB 4.47Å; F50-C137 HydrophobicContact CD2-CB 4.07Å; F50-C137 HydrophobicContact CG-CB 3.79Å
51R97.4Very high96.7Very high170 Ų17056.5 Ų56.564%0.64226%0.255SS*.Hα-helixtrans-64.5-46.9178.9-174.7174.966.4-171.7-0.1111.8W47 P48 I49 H54 Q55W47-R51 PolarHBondContact O-N 2.84Å; P48-R51 WeakPolarHBondContact O-CB 3.44Å; P48-R51 PolarHBondContact O-N 3.4Å; I49-R51 VanDerWaalsContact C-N 3.31Å; I49-R51 PolarHBondContact O-N 2.75Å; R51-H54 PolarHBondContact O-N 3.07Å; R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 PolarHBondContact O-N 3.12Å
52I98.1Very high97Very high11 Ų1152.4 Ų52.46%0.05624%0.243CC..Hα-helixtrans-69.7-42.3179.9-62.9161.6000110.1L25 K28 M29 A32 P48 I49 H54 Q55 K56L25-I52 WeakPolarHBondContact O-CG2 3.16Å; K28-I52 HydrophobicContact CB-CD1 4.09Å; K28-I52 WeakPolarHBondContact O-CD1 3.28Å; M29-I52 HydrophobicContact CB-CG2 4.08Å; M29-I52 HydrophobicContact CE-CB 3.86Å; M29-I52 HydrophobicContact CE-CG2 3.81Å; M29-I52 HydrophobicContact SD-CB 4.38Å; M29-I52 HydrophobicContact SD-CG2 4.44Å; A32-I52 HydrophobicContact CB-CD1 3.77Å; P48-I52 VanDerWaalsContact O-CG1 3.28Å; P48-I52 WeakPolarHBondContact O-CG1 3.17Å; P48-I52 PolarHBondContact O-N 3.2Å; I49-I52 PolarHBondContact O-N 3.24Å; I52-H54 VanDerWaalsContact C-N 3.32Å; I52-H54 PolarHBondContact O-N 3.45Å; I52-Q55 PolarHBondContact O-N 3.39Å; I52-Q55 VanDerWaalsContact O-N 3.17Å; I52-K56 WeakPolarHBondContact O-CB 3.48Å; I52-K56 PolarHBondContact O-N 2.94Å
53H98.3Very high97.3Very high61 Ų6143.7 Ų43.728%0.28221%0.205SC..Hα-helixtrans-57.4-45173.7175.9-89.6000112.1M29 I49 T57 D85M29-H53 HydrophobicContact CE-CB 4.12Å; I49-H53 VanDerWaalsContact O-CB 3.23Å; I49-H53 WeakPolarHBondContact O-CB 3.22Å; I49-H53 PolarHBondContact O-N 2.84Å; H53-T57 WeakPolarHBondContact O-CB 3.44Å; H53-T57 PolarHBondContact O-N 3Å; H53-T57 PolarHBondContact O-OG1 3.49Å; H53-D85 VanDerWaalsContact CE1-CB 3.44Å; H53-D85 WeakPolarHBondContact CE1-CB 3.3Å; H53-D85 IonicContact CE1-OD2 2.61Å; H53-D85 PolarHBondContact CE1-OD2 3Å; H53-D85 IonicContact NE2-OD2 3.88Å
54H98.4Very high97.5Very high49 Ų4942.8 Ų42.823%0.22720%0.197CC..Hα-helixtrans-60.4-49.6173.2171.2-75000111.1F50 R51 I52 K56 T57 R58 W92 L100 C101F50-H54 VanDerWaalsContact O-CB 3.27Å; F50-H54 WeakPolarHBondContact O-CB 3.37Å; F50-H54 PolarHBondContact O-N 3.35Å; R51-H54 PolarHBondContact O-N 3.07Å; I52-H54 VanDerWaalsContact C-N 3.32Å; I52-H54 PolarHBondContact O-N 3.45Å; H54-K56 PolarHBondContact O-N 3.05Å; H54-T57 PolarHBondContact O-N 3.16Å; H54-R58 WeakPolarHBondContact O-CB 3.35Å; H54-R58 PolarHBondContact O-N 2.72Å; H54-W92 AromaticContact CD2-CZ2 3.5Å; H54-W92 AromaticContact NE2-CZ2 3.53Å; H54-L100 PolarHBondContact CD2-O 3.01Å; H54-C101 PolarHBondContact CD2-O 3.05Å
55Q98.1Very high97.7Very high89 Ų8944.6 Ų44.642%0.41620%0.202SC..Hα-helixtrans-59.6-46-178.4-176.61753.900112L25 R51 I52 R58 Y59L25-Q55 HydrophobicContact CD2-CB 4.43Å; L25-Q55 VanDerWaalsContact CD2-CD 3.49Å; L25-Q55 HydrophobicContact CD2-CG 3.81Å; R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 PolarHBondContact O-N 3.12Å; I52-Q55 PolarHBondContact O-N 3.39Å; I52-Q55 VanDerWaalsContact O-N 3.17Å; Q55-R58 PolarHBondContact O-N 3.28Å; Q55-Y59 WeakPolarHBondContact O-CB 3.48Å; Q55-Y59 PolarHBondContact O-N 3.29Å
56K97.9Very high97.7Very high16 Ų1649.2 Ų49.27%0.0722%0.218CC..Hα-helixtrans-63.4-45.1178.4-160.117363.8-175.20112.2L22 L25 D26 I52 H54 R58 Y59 I60 Y83L22-K56 HydrophobicContact CD2-CD 4.46Å; L22-K56 HydrophobicContact CD2-CG 3.86Å; L25-K56 HydrophobicContact CB-CB 4.48Å; L25-K56 HydrophobicContact CB-CD 4.22Å; L25-K56 HydrophobicContact CB-CG 4.21Å; L25-K56 HydrophobicContact CD1-CB 4.11Å; L25-K56 HydrophobicContact CD1-CG 4.05Å; D26-K56 VanDerWaalsContact OD1-CD 3.32Å; D26-K56 WeakPolarHBondContact OD1-CD 3.4Å; D26-K56 IonicContact OD1-NZ 2.71Å; D26-K56 PolarHBondContact OD1-NZ 2.72Å; I52-K56 WeakPolarHBondContact O-CB 3.48Å; I52-K56 PolarHBondContact O-N 2.94Å; H54-K56 PolarHBondContact O-N 3.05Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-R58 PolarHBondContact O-N 3.31Å; K56-Y59 PolarHBondContact O-N 3.29Å; K56-I60 PolarHBondContact O-N 3.47Å; K56-Y83 HydrophobicContact CD-CD1 4.48Å; K56-Y83 WeakPolarHBondContact CE-O 3.34Å; K56-Y83 WeakPolarHBondContact CG-O 3.25Å
57T98.5Very high97.8Very high0 Ų054.5 Ų54.50%023%0.232CC..Hα-helixtrans-64.7-38.4175.1-55.90000111.5H53 H54 F61 A84 D85 L88 I89 W92H53-T57 WeakPolarHBondContact O-CB 3.44Å; H53-T57 PolarHBondContact O-N 3Å; H53-T57 PolarHBondContact O-OG1 3.49Å; H54-T57 PolarHBondContact O-N 3.16Å; T57-F61 WeakPolarHBondContact O-CB 3.48Å; T57-F61 PolarHBondContact O-N 3.4Å; T57-A84 HydrophobicContact CG2-CB 4.25Å; T57-D85 HydrophobicContact CG2-CB 4.14Å; T57-D85 PolarHBondContact OG1-N 3.34Å; T57-L88 HydrophobicContact CG2-CB 4.41Å; T57-L88 HydrophobicContact CG2-CD2 4.27Å; T57-I89 HydrophobicContact CG2-CD1 3.89Å; T57-I89 HydrophobicContact CG2-CG1 3.6Å; T57-W92 HydrophobicContact CG2-CH2 3.74Å; T57-W92 HydrophobicContact CG2-CZ3 3.63Å
58R98.4Very high97.7Very high29 Ų2960.9 Ų60.911%0.10926%0.261CS..Hα-helixtrans-67.3-41.6179.7-179.957.161.7175.715.2111.9H54 Q55 K56 I60 F61 D62 W92 E98H54-R58 WeakPolarHBondContact O-CB 3.35Å; H54-R58 PolarHBondContact O-N 2.72Å; Q55-R58 PolarHBondContact O-N 3.28Å; K56-R58 VanDerWaalsContact C-N 3.32Å; K56-R58 PolarHBondContact O-N 3.31Å; R58-I60 PolarHBondContact O-N 2.92Å; R58-F61 VanDerWaalsContact NH1-CE1 3.34Å; R58-F61 WeakPolarHBondContact O-CB 3.49Å; R58-F61 PolarHBondContact O-N 3.12Å; R58-D62 WeakPolarHBondContact CD-OD1 3.38Å; R58-D62 WeakPolarHBondContact CD-OD2 3.27Å; R58-D62 WeakPolarHBondContact O-CB 3.41Å; R58-D62 PolarHBondContact O-N 3.29Å; R58-W92 HydrophobicContact CB-CH2 3.77Å; R58-W92 HydrophobicContact CB-CZ3 4.13Å; R58-W92 VanDerWaalsContact CZ-CE3 3.45Å; R58-W92 VanDerWaalsContact NH2-NE1 3.19Å; R58-E98 PolarHBondContact NH2-O 3.49Å
59Y98.4Very high97.7Very high54 Ų5463.2 Ų63.221%0.21228%0.282CS..Hα-helixtrans-54.8-52.4176.9176.3-119000111.2I18 T21 L22 Q55 K56 F61 D62 L63I18-Y59 HydrophobicContact CB-CE1 4.24Å; T21-Y59 HydrophobicContact CG2-CD1 4.21Å; T21-Y59 HydrophobicContact CG2-CD2 4.33Å; T21-Y59 HydrophobicContact CG2-CE1 3.8Å; T21-Y59 HydrophobicContact CG2-CE2 3.96Å; T21-Y59 HydrophobicContact CG2-CG 4.45Å; T21-Y59 PolarHBondContact OG1-OH 3.46Å; L22-Y59 HydrophobicContact CD2-CD1 3.95Å; L22-Y59 HydrophobicContact CD2-CE1 4.3Å; L22-Y59 HydrophobicContact CG-CD1 4.49Å; L22-Y59 HydrophobicContact CG-CE1 4.33Å; Q55-Y59 WeakPolarHBondContact O-CB 3.48Å; Q55-Y59 PolarHBondContact O-N 3.29Å; K56-Y59 PolarHBondContact O-N 3.29Å; Y59-F61 PolarHBondContact O-N 2.91Å; Y59-D62 PolarHBondContact O-N 3.07Å; Y59-L63 HydrophobicContact CD1-CD1 4.24Å; Y59-L63 HydrophobicContact CD2-CD1 4.26Å; Y59-L63 HydrophobicContact CD2-CG 4.44Å; Y59-L63 HydrophobicContact CE1-CD1 3.76Å; Y59-L63 HydrophobicContact CE2-CD1 3.75Å; Y59-L63 HydrophobicContact CE2-CD2 4.48Å; Y59-L63 HydrophobicContact CE2-CG 4.14Å; Y59-L63 HydrophobicContact CG-CD1 4.48Å; Y59-L63 VanDerWaalsContact CZ-CD1 3.49Å; Y59-L63 WeakPolarHBondContact O-CG 3.43Å; Y59-L63 PolarHBondContact O-N 3.25Å
60I98.3Very high97.7Very high0 Ų061.6 Ų61.60%027%0.273CS..Hα-helixtrans-63.1-41.8176.6-62.6-56.8000112I18 L22 K56 R58 D62 L63 F64 I70 Y75 C78 A84I18-I60 HydrophobicContact CD1-CD1 4.18Å; L22-I60 HydrophobicContact CD1-CD1 4.24Å; L22-I60 HydrophobicContact CD2-CD1 4.08Å; L22-I60 HydrophobicContact CD2-CG1 4.31Å; K56-I60 PolarHBondContact O-N 3.47Å; R58-I60 PolarHBondContact O-N 2.92Å; I60-D62 PolarHBondContact O-N 3.49Å; I60-L63 PolarHBondContact O-N 3.44Å; I60-F64 PolarHBondContact O-N 2.97Å; I60-I70 HydrophobicContact CG2-CD1 4.35Å; I60-Y75 HydrophobicContact CG2-CD2 3.69Å; I60-Y75 HydrophobicContact CG2-CE2 4.07Å; I60-C78 HydrophobicContact CD1-CB 4.24Å; I60-C78 HydrophobicContact CG1-CB 4.32Å; I60-C78 HydrophobicContact CG2-CB 4.15Å; I60-A84 HydrophobicContact CB-CB 3.97Å; I60-A84 HydrophobicContact CG1-CB 4.18Å; I60-A84 HydrophobicContact CG2-CB 3.95Å
61F98.4Very high97.7Very high15 Ų1562.1 Ų62.17%0.06628%0.283CS..Hα-helixtrans-59.6-47.6177.2178.1-90000112.3T57 R58 Y59 F64 Y65 I89 W92 K93T57-F61 WeakPolarHBondContact O-CB 3.48Å; T57-F61 PolarHBondContact O-N 3.4Å; R58-F61 VanDerWaalsContact NH1-CE1 3.34Å; R58-F61 WeakPolarHBondContact O-CB 3.49Å; R58-F61 PolarHBondContact O-N 3.12Å; Y59-F61 PolarHBondContact O-N 2.91Å; F61-F64 PolarHBondContact O-N 3.48Å; F61-Y65 AromaticContact CD2-CD2 3.41Å; F61-Y65 HydrophobicContact CD2-CD2 3.41Å; F61-Y65 VanDerWaalsContact CD2-CD2 3.41Å; F61-Y65 AromaticContact CD2-CE2 3.95Å; F61-Y65 HydrophobicContact CD2-CE2 3.95Å; F61-Y65 HydrophobicContact CD2-CG 4.33Å; F61-Y65 AromaticContact CE2-CD2 3.42Å; F61-Y65 HydrophobicContact CE2-CD2 3.42Å; F61-Y65 VanDerWaalsContact CE2-CD2 3.42Å; F61-Y65 AromaticContact CE2-CE2 3.96Å; F61-Y65 HydrophobicContact CE2-CE2 3.96Å; F61-Y65 HydrophobicContact CE2-CG 4.01Å; F61-Y65 HydrophobicContact CG-CD2 4.15Å; F61-Y65 HydrophobicContact CZ-CD2 4.16Å; F61-Y65 HydrophobicContact CZ-CG 4.35Å; F61-Y65 WeakPolarHBondContact O-CB 3.36Å; F61-Y65 PolarHBondContact O-N 2.8Å; F61-I89 HydrophobicContact CB-CG1 4.38Å; F61-I89 HydrophobicContact CD2-CB 4.33Å; F61-I89 HydrophobicContact CD2-CG1 4.11Å; F61-I89 HydrophobicContact CD2-CG2 3.72Å; F61-I89 HydrophobicContact CE2-CG2 4.09Å; F61-W92 HydrophobicContact CB-CE3 3.88Å; F61-W92 HydrophobicContact CB-CZ3 3.76Å; F61-W92 HydrophobicContact CD1-CE3 4.24Å; F61-W92 AromaticContact CD2-CE3 3.84Å; F61-W92 HydrophobicContact CD2-CE3 3.84Å; F61-W92 HydrophobicContact CE2-CB 4.08Å; F61-W92 HydrophobicContact CE2-CE3 4.44Å; F61-W92 AromaticContact CG-CE3 3.71Å; F61-W92 HydrophobicContact CG-CE3 3.71Å; F61-W92 HydrophobicContact CG-CZ3 4.12Å; F61-W92 HydrophobicContact CZ-CB 4.14Å; F61-K93 HydrophobicContact CE2-CG 4.04Å
62D98.2Very high97.7Very high38 Ų3862.5 Ų62.520%0.20328%0.284CS..Iπ-helixtrans-68.3-38-178-73.4-18.8000111R58 Y59 I60 F64 K66 R67R58-D62 WeakPolarHBondContact CD-OD1 3.38Å; R58-D62 WeakPolarHBondContact CD-OD2 3.27Å; R58-D62 WeakPolarHBondContact O-CB 3.41Å; R58-D62 PolarHBondContact O-N 3.29Å; Y59-D62 PolarHBondContact O-N 3.07Å; I60-D62 PolarHBondContact O-N 3.49Å; D62-F64 PolarHBondContact O-N 3.21Å; D62-K66 HydrophobicContact CB-CD 4.47Å; D62-K66 WeakPolarHBondContact O-CB 3.4Å; D62-K66 PolarHBondContact O-N 3.42Å; D62-K66 VanDerWaalsContact O-N 3.17Å; D62-K66 VanDerWaalsContact OD1-CD 3.26Å; D62-K66 WeakPolarHBondContact OD1-CD 3.38Å; D62-K66 WeakPolarHBondContact OD1-CE 3.34Å; D62-K66 IonicContact OD1-NZ 2.8Å; D62-K66 PolarHBondContact OD1-NZ 3.32Å; D62-K66 IonicContact OD2-NZ 3.96Å; D62-R67 PolarHBondContact O-N 2.79Å
63L98.2Very high97.7Very high15 Ų1568.2 Ų68.28%0.07931%0.311CS..Iπ-helixtrans-62.6-40.4174.5-73.1177.9000112.7I18 Y59 I60 K68 A69 I70I18-L63 HydrophobicContact CG2-CD1 3.62Å; Y59-L63 HydrophobicContact CD1-CD1 4.24Å; Y59-L63 HydrophobicContact CD2-CD1 4.26Å; Y59-L63 HydrophobicContact CD2-CG 4.44Å; Y59-L63 HydrophobicContact CE1-CD1 3.76Å; Y59-L63 HydrophobicContact CE2-CD1 3.75Å; Y59-L63 HydrophobicContact CE2-CD2 4.48Å; Y59-L63 HydrophobicContact CE2-CG 4.14Å; Y59-L63 HydrophobicContact CG-CD1 4.48Å; Y59-L63 VanDerWaalsContact CZ-CD1 3.49Å; Y59-L63 WeakPolarHBondContact O-CG 3.43Å; Y59-L63 PolarHBondContact O-N 3.25Å; I60-L63 PolarHBondContact O-N 3.44Å; L63-K68 CarbonylContact O-C 3.52Å; L63-K68 WeakPolarHBondContact O-CA 3.26Å; L63-K68 PolarHBondContact O-N 2.88Å; L63-A69 HydrophobicContact CD2-CB 4.1Å; L63-A69 PolarHBondContact O-N 3.17Å; L63-I70 HydrophobicContact CB-CD1 4.07Å; L63-I70 HydrophobicContact CB-CG1 4.13Å; L63-I70 HydrophobicContact CB-CG2 4.28Å; L63-I70 HydrophobicContact CD1-CG2 4.32Å
64F98.3Very high97.6Very high39 Ų3965.4 Ų65.417%0.17130%0.297CS..Iπ-helixtrans-83.7-52.8-177.6-174.8-114000113.3I60 F61 D62 I70 R72 Y75I60-F64 PolarHBondContact O-N 2.97Å; F61-F64 PolarHBondContact O-N 3.48Å; D62-F64 PolarHBondContact O-N 3.21Å; F64-I70 HydrophobicContact CB-CD1 4.06Å; F64-I70 HydrophobicContact CB-CG1 3.92Å; F64-I70 HydrophobicContact CD2-CG1 4.12Å; F64-R72 HydrophobicContact CE2-CB 4.18Å; F64-R72 HydrophobicContact CZ-CB 4.35Å; F64-R72 HydrophobicContact CZ-CG 4.29Å; F64-Y75 HydrophobicContact CB-CD2 3.63Å; F64-Y75 HydrophobicContact CB-CE2 4.18Å; F64-Y75 HydrophobicContact CB-CG 4.14Å; F64-Y75 AromaticContact CD1-CD1 3.94Å; F64-Y75 HydrophobicContact CD1-CD1 3.94Å; F64-Y75 AromaticContact CD1-CD2 3.75Å; F64-Y75 HydrophobicContact CD1-CD2 3.75Å; F64-Y75 HydrophobicContact CD1-CE1 4.06Å; F64-Y75 AromaticContact CD1-CE2 3.87Å; F64-Y75 HydrophobicContact CD1-CE2 3.87Å; F64-Y75 AromaticContact CD1-CG 3.78Å; F64-Y75 HydrophobicContact CD1-CG 3.78Å; F64-Y75 HydrophobicContact CD2-CD1 4.47Å; F64-Y75 HydrophobicContact CD2-CD2 4.29Å; F64-Y75 AromaticContact CD2-CG 3.91Å; F64-Y75 HydrophobicContact CD2-CG 3.91Å; F64-Y75 AromaticContact CE1-CD1 3.85Å; F64-Y75 HydrophobicContact CE1-CD1 3.85Å; F64-Y75 HydrophobicContact CE1-CD2 4.49Å; F64-Y75 AromaticContact CE1-CE1 3.97Å; F64-Y75 HydrophobicContact CE1-CE1 3.97Å; F64-Y75 HydrophobicContact CE1-CG 4.12Å; F64-Y75 HydrophobicContact CE2-CD1 4.39Å; F64-Y75 HydrophobicContact CE2-CG 4.24Å; F64-Y75 HydrophobicContact CG-CD1 4.26Å; F64-Y75 AromaticContact CG-CD2 3.63Å; F64-Y75 HydrophobicContact CG-CD2 3.63Å; F64-Y75 HydrophobicContact CG-CE2 4.18Å; F64-Y75 AromaticContact CG-CG 3.66Å; F64-Y75 HydrophobicContact CG-CG 3.66Å; F64-Y75 HydrophobicContact CZ-CD1 4.09Å; F64-Y75 HydrophobicContact CZ-CG 4.33Å
65Y97.6Very high97.6Very high85 Ų8563.9 Ų63.933%0.33329%0.29SS..Iπ-helixtrans-88.4-30.2-170.5-74.8-72000114.2F61 Y75 I89 K93F61-Y65 AromaticContact CD2-CD2 3.41Å; F61-Y65 HydrophobicContact CD2-CD2 3.41Å; F61-Y65 VanDerWaalsContact CD2-CD2 3.41Å; F61-Y65 AromaticContact CD2-CE2 3.95Å; F61-Y65 HydrophobicContact CD2-CE2 3.95Å; F61-Y65 HydrophobicContact CD2-CG 4.33Å; F61-Y65 AromaticContact CE2-CD2 3.42Å; F61-Y65 HydrophobicContact CE2-CD2 3.42Å; F61-Y65 VanDerWaalsContact CE2-CD2 3.42Å; F61-Y65 AromaticContact CE2-CE2 3.96Å; F61-Y65 HydrophobicContact CE2-CE2 3.96Å; F61-Y65 HydrophobicContact CE2-CG 4.01Å; F61-Y65 HydrophobicContact CG-CD2 4.15Å; F61-Y65 HydrophobicContact CZ-CD2 4.16Å; F61-Y65 HydrophobicContact CZ-CG 4.35Å; F61-Y65 WeakPolarHBondContact O-CB 3.36Å; F61-Y65 PolarHBondContact O-N 2.8Å; Y65-Y75 HydrophobicContact CE2-CE2 4.21Å; Y65-Y75 AromaticContact CE2-CZ 3.93Å; Y65-I89 HydrophobicContact CE2-CG2 3.85Å; Y65-K93 HydrophobicContact CE1-CD 4.05Å; Y65-K93 HydrophobicContact CE2-CD 4.23Å; Y65-K93 PolarHBondContact OH-NZ 2.87Å
66K95.6Very high97.5Very high130 Ų13065 Ų6557%0.56530%0.295SS*.Iπ-helixtrans-98.5-59.5-178.5-61.4-172.8-176.7153.70112D62D62-K66 HydrophobicContact CB-CD 4.47Å; D62-K66 WeakPolarHBondContact O-CB 3.4Å; D62-K66 PolarHBondContact O-N 3.42Å; D62-K66 VanDerWaalsContact O-N 3.17Å; D62-K66 VanDerWaalsContact OD1-CD 3.26Å; D62-K66 WeakPolarHBondContact OD1-CD 3.38Å; D62-K66 WeakPolarHBondContact OD1-CE 3.34Å; D62-K66 IonicContact OD1-NZ 2.8Å; D62-K66 PolarHBondContact OD1-NZ 3.32Å; D62-K66 IonicContact OD2-NZ 3.96Å
67R96.5Very high97.4Very high192 Ų19265.3 Ų65.373%0.72530%0.296SS*.SBendtrans-81.2-22.2-175.6-59.5-174.5-175.3-164.81.1113.2D62 A69D62-R67 PolarHBondContact O-N 2.79Å; R67-A69 HydrophobicContact CB-CB 4.27Å; R67-A69 PolarHBondContact O-N 3.4Å
68K96.3Very high97.3Very high171 Ų17165.3 Ų65.374%0.74330%0.296SS*.  trans53.437.7-176.4-55.5179.4-178.91770112.9L63L63-K68 CarbonylContact O-C 3.52Å; L63-K68 WeakPolarHBondContact O-CA 3.26Å; L63-K68 PolarHBondContact O-N 2.88Å
69A96.5Very high97.2Very high67 Ų6765.7 Ų65.755%0.55430%0.3SS*.  trans-91.3-10.3-174.400000113.8L63 R67L63-A69 HydrophobicContact CD2-CB 4.1Å; L63-A69 PolarHBondContact O-N 3.17Å; R67-A69 HydrophobicContact CB-CB 4.27Å; R67-A69 PolarHBondContact O-N 3.4Å
70I97.4Very high97.1Very high19 Ų1970.1 Ų70.110%0.09732%0.32CS..SBendtrans-124.5149.4178.762.7174.6000111.2I18 I60 L63 F64 L74I18-I70 HydrophobicContact CG2-CG2 4.06Å; I60-I70 HydrophobicContact CG2-CD1 4.35Å; L63-I70 HydrophobicContact CB-CD1 4.07Å; L63-I70 HydrophobicContact CB-CG1 4.13Å; L63-I70 HydrophobicContact CB-CG2 4.28Å; L63-I70 HydrophobicContact CD1-CG2 4.32Å; F64-I70 HydrophobicContact CB-CD1 4.06Å; F64-I70 HydrophobicContact CB-CG1 3.92Å; F64-I70 HydrophobicContact CD2-CG1 4.12Å; I70-L74 HydrophobicContact CB-CD2 3.97Å; I70-L74 HydrophobicContact CB-CG 4.47Å; I70-L74 HydrophobicContact CG2-CD2 3.83Å
71S97.8Very high96.9Very high55 Ų5570.2 Ų70.239%0.38532%0.321SS..  trans-70.7162.8176.9750000111.7E73 L74 Y75S71-E73 VanDerWaalsContact C-N 3.28Å; S71-E73 PolarHBondContact O-N 2.9Å; S71-L74 PolarHBondContact O-N 3.38Å; S71-L74 WeakPolarHBondContact OG-CB 3.22Å; S71-L74 PolarHBondContact OG-N 3.41Å; S71-L74 VanDerWaalsContact OG-N 3.13Å; S71-Y75 WeakPolarHBondContact O-CB 3.36Å; S71-Y75 PolarHBondContact O-N 3.47Å
72R97.4Very high96.7Very high177 Ų17771.1 Ų71.167%0.66833%0.334SS*.Hα-helixtrans-62.2-38.8174.3-171.2177.2-51175.88.8111.9F64 Y75 E76F64-R72 HydrophobicContact CE2-CB 4.18Å; F64-R72 HydrophobicContact CZ-CB 4.35Å; F64-R72 HydrophobicContact CZ-CG 4.29Å; R72-Y75 PolarHBondContact O-N 2.87Å; R72-E76 HydrophobicContact CG-CG 4.46Å; R72-E76 WeakPolarHBondContact O-CB 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 3.15Å
73E96.8Very high96.6Very high132 Ų13269.5 Ų69.562%0.61733%0.325SS*.Hα-helixtrans-62.2-47.2177.9-173.5178.4-168.500111.3P12 S71 Y75 E76 Y77P12-E73 HydrophobicContact CB-CG 3.96Å; P12-E73 HydrophobicContact CG-CG 3.86Å; S71-E73 VanDerWaalsContact C-N 3.28Å; S71-E73 PolarHBondContact O-N 2.9Å; E73-Y75 VanDerWaalsContact C-N 3.34Å; E73-Y75 PolarHBondContact O-N 2.98Å; E73-E76 PolarHBondContact O-N 3.47Å; E73-Y77 WeakPolarHBondContact O-CB 3.39Å; E73-Y77 PolarHBondContact O-N 3.41Å
74L96.9Very high96.6Very high1 Ų169 Ų691%0.00532%0.324CS..Hα-helixtrans-64.1-40177.4-174.858.6000112P12 W15 I18 I70 S71 Y77 C78P12-L74 HydrophobicContact CB-CB 4.31Å; P12-L74 HydrophobicContact CB-CD1 4.23Å; P12-L74 HydrophobicContact CG-CD1 4.32Å; W15-L74 HydrophobicContact CB-CD1 4.01Å; W15-L74 HydrophobicContact CE3-CD1 3.91Å; I18-L74 HydrophobicContact CD1-CD1 4.17Å; I18-L74 HydrophobicContact CD1-CD2 3.88Å; I18-L74 HydrophobicContact CD1-CG 4.01Å; I18-L74 HydrophobicContact CG1-CD2 4.46Å; I70-L74 HydrophobicContact CB-CD2 3.97Å; I70-L74 HydrophobicContact CB-CG 4.47Å; I70-L74 HydrophobicContact CG2-CD2 3.83Å; S71-L74 PolarHBondContact O-N 3.38Å; S71-L74 WeakPolarHBondContact OG-CB 3.22Å; S71-L74 PolarHBondContact OG-N 3.41Å; S71-L74 VanDerWaalsContact OG-N 3.13Å; L74-Y77 HydrophobicContact CD1-CD1 4.42Å; L74-Y77 WeakPolarHBondContact O-CB 3.27Å; L74-Y77 PolarHBondContact O-N 2.84Å; L74-C78 PolarHBondContact O-N 2.61Å; L74-C78 PolarHBondContact O-SG 3.18Å
75Y97.7Very high96.6Very high17 Ų1768.7 Ų68.77%0.06732%0.324CS..Hα-helixtrans-61.9-46.9175.1168-100.6000112.4I60 F64 Y65 S71 R72 E73 Y77 C78 I79 I89I60-Y75 HydrophobicContact CG2-CD2 3.69Å; I60-Y75 HydrophobicContact CG2-CE2 4.07Å; F64-Y75 HydrophobicContact CB-CD2 3.63Å; F64-Y75 HydrophobicContact CB-CE2 4.18Å; F64-Y75 HydrophobicContact CB-CG 4.14Å; F64-Y75 AromaticContact CD1-CD1 3.94Å; F64-Y75 HydrophobicContact CD1-CD1 3.94Å; F64-Y75 AromaticContact CD1-CD2 3.75Å; F64-Y75 HydrophobicContact CD1-CD2 3.75Å; F64-Y75 HydrophobicContact CD1-CE1 4.06Å; F64-Y75 AromaticContact CD1-CE2 3.87Å; F64-Y75 HydrophobicContact CD1-CE2 3.87Å; F64-Y75 AromaticContact CD1-CG 3.78Å; F64-Y75 HydrophobicContact CD1-CG 3.78Å; F64-Y75 HydrophobicContact CD2-CD1 4.47Å; F64-Y75 HydrophobicContact CD2-CD2 4.29Å; F64-Y75 AromaticContact CD2-CG 3.91Å; F64-Y75 HydrophobicContact CD2-CG 3.91Å; F64-Y75 AromaticContact CE1-CD1 3.85Å; F64-Y75 HydrophobicContact CE1-CD1 3.85Å; F64-Y75 HydrophobicContact CE1-CD2 4.49Å; F64-Y75 AromaticContact CE1-CE1 3.97Å; F64-Y75 HydrophobicContact CE1-CE1 3.97Å; F64-Y75 HydrophobicContact CE1-CG 4.12Å; F64-Y75 HydrophobicContact CE2-CD1 4.39Å; F64-Y75 HydrophobicContact CE2-CG 4.24Å; F64-Y75 HydrophobicContact CG-CD1 4.26Å; F64-Y75 AromaticContact CG-CD2 3.63Å; F64-Y75 HydrophobicContact CG-CD2 3.63Å; F64-Y75 HydrophobicContact CG-CE2 4.18Å; F64-Y75 AromaticContact CG-CG 3.66Å; F64-Y75 HydrophobicContact CG-CG 3.66Å; F64-Y75 HydrophobicContact CZ-CD1 4.09Å; F64-Y75 HydrophobicContact CZ-CG 4.33Å; Y65-Y75 HydrophobicContact CE2-CE2 4.21Å; Y65-Y75 AromaticContact CE2-CZ 3.93Å; S71-Y75 WeakPolarHBondContact O-CB 3.36Å; S71-Y75 PolarHBondContact O-N 3.47Å; R72-Y75 PolarHBondContact O-N 2.87Å; E73-Y75 VanDerWaalsContact C-N 3.34Å; E73-Y75 PolarHBondContact O-N 2.98Å; Y75-Y77 VanDerWaalsContact C-N 3.34Å; Y75-C78 WeakPolarHBondContact O-CB 3.32Å; Y75-C78 PolarHBondContact O-N 3.11Å; Y75-I79 HydrophobicContact CD1-CD1 4.2Å; Y75-I79 HydrophobicContact CE1-CD1 3.52Å; Y75-I79 HydrophobicContact CE2-CD1 3.94Å; Y75-I79 PolarHBondContact O-N 2.87Å; Y75-I79 VanDerWaalsContact O-N 3.14Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.4Å; Y75-I89 HydrophobicContact CE2-CD1 4.06Å; Y75-I89 WeakPolarHBondContact OH-CG2 3.45Å
76E96.7Very high96.6Very high114 Ų11471.4 Ų71.453%0.53334%0.337SS..Hα-helixtrans-66.8-36.8177.7-73.5177-172.500112.1R72 E73 I79 K80R72-E76 HydrophobicContact CG-CG 4.46Å; R72-E76 WeakPolarHBondContact O-CB 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.49Å; R72-E76 PolarHBondContact O-N 3.15Å; E73-E76 PolarHBondContact O-N 3.47Å; E76-I79 PolarHBondContact O-N 3.42Å; E76-K80 WeakPolarHBondContact O-CB 3.45Å; E76-K80 PolarHBondContact O-N 3.34Å
77Y96.1Very high96.7Very high21 Ų2170 Ų708%0.08234%0.336CS..Hα-helixtrans-58-48.3170.9176.5-96.6000111.3K5 P11 P12 W15 E73 L74 Y75 I79 K80 E81K5-Y77 WeakPolarHBondContact CD-OH 3.34Å; P11-Y77 HydrophobicContact CB-CE1 4.06Å; P12-Y77 HydrophobicContact CG-CD2 4.3Å; P12-Y77 HydrophobicContact CG-CG 3.99Å; W15-Y77 HydrophobicContact CD2-CE1 4.35Å; W15-Y77 HydrophobicContact CE3-CD1 4.13Å; W15-Y77 AromaticContact CE3-CE1 3.85Å; W15-Y77 HydrophobicContact CE3-CE1 3.85Å; W15-Y77 HydrophobicContact CH2-CE1 4.4Å; W15-Y77 HydrophobicContact CZ3-CD1 4.22Å; W15-Y77 AromaticContact CZ3-CE1 3.88Å; W15-Y77 HydrophobicContact CZ3-CE1 3.88Å; E73-Y77 WeakPolarHBondContact O-CB 3.39Å; E73-Y77 PolarHBondContact O-N 3.41Å; L74-Y77 HydrophobicContact CD1-CD1 4.42Å; L74-Y77 WeakPolarHBondContact O-CB 3.27Å; L74-Y77 PolarHBondContact O-N 2.84Å; Y75-Y77 VanDerWaalsContact C-N 3.34Å; Y77-I79 VanDerWaalsContact C-N 3.27Å; Y77-I79 PolarHBondContact O-N 3.37Å; Y77-K80 PolarHBondContact O-N 3.49Å; Y77-K80 VanDerWaalsContact O-N 3.12Å; Y77-E81 HydrophobicContact CD1-CG 4.31Å; Y77-E81 HydrophobicContact CD2-CG 4.11Å; Y77-E81 HydrophobicContact CE1-CG 3.91Å; Y77-E81 HydrophobicContact CE2-CG 3.69Å; Y77-E81 HydrophobicContact CG-CG 4.4Å; Y77-E81 WeakPolarHBondContact O-CB 3.37Å; Y77-E81 WeakPolarHBondContact O-CG 3.32Å; Y77-E81 PolarHBondContact O-N 3.41Å
78C96.3Very high96.8Very high0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-58.8-38.1178-69.50000112.5I60 L74 Y75 G82 Y83 A84I60-C78 HydrophobicContact CD1-CB 4.24Å; I60-C78 HydrophobicContact CG1-CB 4.32Å; I60-C78 HydrophobicContact CG2-CB 4.15Å; L74-C78 PolarHBondContact O-N 2.61Å; L74-C78 PolarHBondContact O-SG 3.18Å; Y75-C78 WeakPolarHBondContact O-CB 3.32Å; Y75-C78 PolarHBondContact O-N 3.11Å; C78-G82 PolarHBondContact O-N 2.88Å; C78-Y83 WeakPolarHBondContact O-CB 3.38Å; C78-Y83 PolarHBondContact O-N 3.44Å; C78-A84 PolarHBondContact O-N 2.74Å
79I96.7Very high96.9Very high37 Ų3752.9 Ų52.919%0.1927%0.267CS..Hα-helixtrans-67.4-47.2175.1-70.2172.8000110.9Y75 E76 Y77 E81 G82 A84 K86 I89Y75-I79 HydrophobicContact CD1-CD1 4.2Å; Y75-I79 HydrophobicContact CE1-CD1 3.52Å; Y75-I79 HydrophobicContact CE2-CD1 3.94Å; Y75-I79 PolarHBondContact O-N 2.87Å; Y75-I79 VanDerWaalsContact O-N 3.14Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.4Å; E76-I79 PolarHBondContact O-N 3.42Å; Y77-I79 VanDerWaalsContact C-N 3.27Å; Y77-I79 PolarHBondContact O-N 3.37Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 PolarHBondContact O-N 2.84Å; I79-G82 PolarHBondContact O-N 2.79Å; I79-A84 HydrophobicContact CG1-CB 4.18Å; I79-K86 HydrophobicContact CG2-CB 3.88Å; I79-I89 HydrophobicContact CD1-CD1 4.46Å
80K95.2Very high97Very high148 Ų14851.6 Ų51.664%0.64326%0.256SS*.Hα-helixtrans-64-39.2-176.7-174.5178.2178.3-179.70112.5E76 Y77 G82E76-K80 WeakPolarHBondContact O-CB 3.45Å; E76-K80 PolarHBondContact O-N 3.34Å; Y77-K80 PolarHBondContact O-N 3.49Å; Y77-K80 VanDerWaalsContact O-N 3.12Å; K80-G82 PolarHBondContact O-N 3.05Å
81E94.4Very high97Very high2 Ų254 Ų541%0.00927%0.266CS..THydrogen-bonded Turntrans-78-5.1176-66.6-57.5134.800112.9K3 K5 R6 S7 Y77 I79 Y83K3-E81 PolarHBondContact NZ-O 2.95Å; K5-E81 WeakPolarHBondContact CA-OE2 3.49Å; R6-E81 PolarHBondContact N-OE2 3.3Å; S7-E81 WeakPolarHBondContact CB-OE1 3.48Å; S7-E81 PolarHBondContact N-OE1 3.48Å; Y77-E81 HydrophobicContact CD1-CG 4.31Å; Y77-E81 HydrophobicContact CD2-CG 4.11Å; Y77-E81 HydrophobicContact CE1-CG 3.91Å; Y77-E81 HydrophobicContact CE2-CG 3.69Å; Y77-E81 HydrophobicContact CG-CG 4.4Å; Y77-E81 WeakPolarHBondContact O-CB 3.37Å; Y77-E81 WeakPolarHBondContact O-CG 3.32Å; Y77-E81 PolarHBondContact O-N 3.41Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 PolarHBondContact O-N 2.84Å; E81-Y83 HydrophobicContact CB-CD2 3.66Å; E81-Y83 HydrophobicContact CB-CE2 3.57Å; E81-Y83 HydrophobicContact CG-CE2 4.42Å
82G94.5Very high97.1Very high34 Ų3451.6 Ų51.635%0.35125%0.249SC..THydrogen-bonded Turntrans74.332.3176.400000113.7K3 C78 I79 K80K3-G82 PolarHBondContact NZ-O 3.41Å; C78-G82 PolarHBondContact O-N 2.88Å; I79-G82 PolarHBondContact O-N 2.79Å; K80-G82 PolarHBondContact O-N 3.05Å
83Y95.9Very high97Very high3 Ų348.8 Ų48.81%0.01224%0.241CC..SBendtrans-80.3-29.2165.6-65.9-74.5000111.4K3 W15 L22 D26 K56 C78 E81K3-Y83 HydrophobicContact CD-CE1 4.28Å; W15-Y83 HydrophobicContact CH2-CD2 4.05Å; W15-Y83 HydrophobicContact CH2-CE1 4.26Å; W15-Y83 AromaticContact CH2-CE2 3.46Å; W15-Y83 HydrophobicContact CH2-CE2 3.46Å; W15-Y83 VanDerWaalsContact CH2-CE2 3.46Å; W15-Y83 AromaticContact CH2-CZ 3.59Å; W15-Y83 HydrophobicContact CZ2-CE2 4.39Å; W15-Y83 HydrophobicContact CZ3-CD2 4.27Å; W15-Y83 HydrophobicContact CZ3-CE2 4.04Å; L22-Y83 HydrophobicContact CB-CD1 4.24Å; L22-Y83 HydrophobicContact CB-CE1 4.38Å; L22-Y83 HydrophobicContact CD1-CD1 4.05Å; L22-Y83 HydrophobicContact CD1-CE1 4.49Å; L22-Y83 HydrophobicContact CD1-CG 4.07Å; L22-Y83 HydrophobicContact CD2-CD1 4.27Å; L22-Y83 HydrophobicContact CG-CD1 4.43Å; D26-Y83 WeakPolarHBondContact OD2-CE1 3.4Å; K56-Y83 HydrophobicContact CD-CD1 4.48Å; K56-Y83 WeakPolarHBondContact CE-O 3.34Å; K56-Y83 WeakPolarHBondContact CG-O 3.25Å; C78-Y83 WeakPolarHBondContact O-CB 3.38Å; C78-Y83 PolarHBondContact O-N 3.44Å; E81-Y83 HydrophobicContact CB-CD2 3.66Å; E81-Y83 HydrophobicContact CB-CE2 3.57Å; E81-Y83 HydrophobicContact CG-CE2 4.42Å
84A97.6Very high97Very high6 Ų648.2 Ų48.25%0.0524%0.237CC..SBendtrans-130.7140.9179.600000112.3T57 I60 C78 I79 K86 I89T57-A84 HydrophobicContact CG2-CB 4.25Å; I60-A84 HydrophobicContact CB-CB 3.97Å; I60-A84 HydrophobicContact CG1-CB 4.18Å; I60-A84 HydrophobicContact CG2-CB 3.95Å; C78-A84 PolarHBondContact O-N 2.74Å; I79-A84 HydrophobicContact CG1-CB 4.18Å; A84-K86 PolarHBondContact O-N 2.86Å; A84-I89 HydrophobicContact CB-CD1 3.95Å
85D98.3Very high97Very high32 Ų3256.3 Ų56.317%0.17127%0.274CS..  trans-85.4111.2176.2-179.1-7.7000111.9H53 T57 N87 L88 I89 L103H53-D85 VanDerWaalsContact CE1-CB 3.44Å; H53-D85 WeakPolarHBondContact CE1-CB 3.3Å; H53-D85 IonicContact CE1-OD2 2.61Å; H53-D85 PolarHBondContact CE1-OD2 3Å; H53-D85 IonicContact NE2-OD2 3.88Å; T57-D85 HydrophobicContact CG2-CB 4.14Å; T57-D85 PolarHBondContact OG1-N 3.34Å; D85-N87 VanDerWaalsContact C-N 3.27Å; D85-N87 PolarHBondContact O-N 2.87Å; D85-N87 WeakPolarHBondContact OD1-CA 3.39Å; D85-N87 WeakPolarHBondContact OD1-CB 3.44Å; D85-N87 PolarHBondContact OD1-N 3.26Å; D85-L88 HydrophobicContact CB-CB 3.92Å; D85-L88 PolarHBondContact O-N 3.39Å; D85-L88 PolarHBondContact OD1-N 3.12Å; D85-I89 WeakPolarHBondContact O-CG1 3.17Å; D85-I89 PolarHBondContact O-N 3.42Å; D85-L103 WeakPolarHBondContact OD2-CD1 3.46Å
86K98.3Very high96.8Very high142 Ų14256.8 Ų56.862%0.61728%0.284SS*.Hα-helixtrans-54.3-41.2176.3-176.9179.6177.4-179.90112.8I79 A84 A90I79-K86 HydrophobicContact CG2-CB 3.88Å; A84-K86 PolarHBondContact O-N 2.86Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.23Å
87N98.3Very high96.9Very high100 Ų10054.5 Ų54.554%0.53527%0.272SS..Hα-helixtrans-73.2-41.6-175.3-68.1-38.6000110.7D85 A90 K91 L103D85-N87 VanDerWaalsContact C-N 3.27Å; D85-N87 PolarHBondContact O-N 2.87Å; D85-N87 WeakPolarHBondContact OD1-CA 3.39Å; D85-N87 WeakPolarHBondContact OD1-CB 3.44Å; D85-N87 PolarHBondContact OD1-N 3.26Å; N87-A90 WeakPolarHBondContact O-CB 3.36Å; N87-A90 PolarHBondContact O-N 3.49Å; N87-K91 WeakPolarHBondContact O-CG 3.36Å; N87-K91 PolarHBondContact O-N 3Å; N87-K91 VanDerWaalsContact O-N 3.12Å; N87-L103 HydrophobicContact CB-CD1 3.61Å; N87-L103 HydrophobicContact CB-CD2 4.33Å
88L98.3Very high96.9Very high1 Ų156.6 Ų56.61%0.00528%0.282CS..Hα-helixtrans-63.8-44.5175.6-173.957.4000111.2T57 D85 A90 K91 W92 L100 L103T57-L88 HydrophobicContact CG2-CB 4.41Å; T57-L88 HydrophobicContact CG2-CD2 4.27Å; D85-L88 HydrophobicContact CB-CB 3.92Å; D85-L88 PolarHBondContact O-N 3.39Å; D85-L88 PolarHBondContact OD1-N 3.12Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.01Å; L88-K91 WeakPolarHBondContact O-CB 3.19Å; L88-K91 PolarHBondContact O-N 3.1Å; L88-W92 HydrophobicContact CD1-CZ2 4.11Å; L88-W92 HydrophobicContact CD2-CH2 3.89Å; L88-W92 HydrophobicContact CD2-CZ2 3.49Å; L88-W92 VanDerWaalsContact CD2-CZ2 3.49Å; L88-W92 HydrophobicContact CG-CD2 4.27Å; L88-W92 HydrophobicContact CG-CH2 4.06Å; L88-W92 HydrophobicContact CG-CZ2 3.52Å; L88-W92 PolarHBondContact O-N 3.03Å; L88-L100 HydrophobicContact CD1-CD2 4.04Å; L88-L100 HydrophobicContact CD1-CG 4.22Å; L88-L103 HydrophobicContact CD1-CD2 4.43Å
89I98.4Very high96.9Very high2 Ų261.7 Ų61.71%0.0131%0.309CS..Hα-helixtrans-58.5-43.5173.4-71167000111.5T57 F61 Y65 Y75 I79 A84 D85 K91 W92 K93T57-I89 HydrophobicContact CG2-CD1 3.89Å; T57-I89 HydrophobicContact CG2-CG1 3.6Å; F61-I89 HydrophobicContact CB-CG1 4.38Å; F61-I89 HydrophobicContact CD2-CB 4.33Å; F61-I89 HydrophobicContact CD2-CG1 4.11Å; F61-I89 HydrophobicContact CD2-CG2 3.72Å; F61-I89 HydrophobicContact CE2-CG2 4.09Å; Y65-I89 HydrophobicContact CE2-CG2 3.85Å; Y75-I89 HydrophobicContact CE2-CD1 4.06Å; Y75-I89 WeakPolarHBondContact OH-CG2 3.45Å; I79-I89 HydrophobicContact CD1-CD1 4.46Å; A84-I89 HydrophobicContact CB-CD1 3.95Å; D85-I89 WeakPolarHBondContact O-CG1 3.17Å; D85-I89 PolarHBondContact O-N 3.42Å; I89-K91 PolarHBondContact O-N 3.28Å; I89-W92 HydrophobicContact CG1-CE3 4.15Å; I89-W92 HydrophobicContact CG1-CZ3 4.23Å; I89-W92 PolarHBondContact O-N 3Å; I89-K93 PolarHBondContact O-N 3.21Å
90A98.3Very high96.9Very high41 Ų4160 Ų6034%0.33930%0.3SS..Hα-helixtrans-60.1-31.7177.300000112.4K86 N87 L88K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.23Å; N87-A90 WeakPolarHBondContact O-CB 3.36Å; N87-A90 PolarHBondContact O-N 3.49Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.01Å
91K98.1Very high97Very high68 Ų6853.6 Ų53.630%0.29628%0.275SS..Hα-helixtrans-74.3-42.1173.8-62.7-62.1179.4170.90112.3N87 L88 I89 K93 K94 Y97 L100 L103 I106N87-K91 WeakPolarHBondContact O-CG 3.36Å; N87-K91 PolarHBondContact O-N 3Å; N87-K91 VanDerWaalsContact O-N 3.12Å; L88-K91 WeakPolarHBondContact O-CB 3.19Å; L88-K91 PolarHBondContact O-N 3.1Å; I89-K91 PolarHBondContact O-N 3.28Å; K91-K93 PolarHBondContact O-N 2.79Å; K91-K93 VanDerWaalsContact O-N 3.1Å; K91-K94 WeakPolarHBondContact O-CB 3.47Å; K91-K94 PolarHBondContact O-N 3.44Å; K91-Y97 VanDerWaalsContact O-CB 3.25Å; K91-Y97 WeakPolarHBondContact O-CB 3.47Å; K91-L100 HydrophobicContact CB-CD2 3.75Å; K91-L100 HydrophobicContact CG-CD2 4.05Å; K91-L103 HydrophobicContact CG-CD2 3.98Å; K91-I106 HydrophobicContact CD-CD1 3.79Å; K91-I106 HydrophobicContact CG-CD1 3.92Å
92W98.1Very high97.1Very high6 Ų653.7 Ų53.72%0.02328%0.275CS..Hα-helixtrans-61.7-20178.8-65.9-22.9000114.6H54 T57 R58 F61 L88 I89 K94 Y97 L100H54-W92 AromaticContact CD2-CZ2 3.5Å; H54-W92 AromaticContact NE2-CZ2 3.53Å; T57-W92 HydrophobicContact CG2-CH2 3.74Å; T57-W92 HydrophobicContact CG2-CZ3 3.63Å; R58-W92 HydrophobicContact CB-CH2 3.77Å; R58-W92 HydrophobicContact CB-CZ3 4.13Å; R58-W92 VanDerWaalsContact CZ-CE3 3.45Å; R58-W92 VanDerWaalsContact NH2-NE1 3.19Å; F61-W92 HydrophobicContact CB-CE3 3.88Å; F61-W92 HydrophobicContact CB-CZ3 3.76Å; F61-W92 HydrophobicContact CD1-CE3 4.24Å; F61-W92 AromaticContact CD2-CE3 3.84Å; F61-W92 HydrophobicContact CD2-CE3 3.84Å; F61-W92 HydrophobicContact CE2-CB 4.08Å; F61-W92 HydrophobicContact CE2-CE3 4.44Å; F61-W92 AromaticContact CG-CE3 3.71Å; F61-W92 HydrophobicContact CG-CE3 3.71Å; F61-W92 HydrophobicContact CG-CZ3 4.12Å; F61-W92 HydrophobicContact CZ-CB 4.14Å; L88-W92 HydrophobicContact CD1-CZ2 4.11Å; L88-W92 HydrophobicContact CD2-CH2 3.89Å; L88-W92 HydrophobicContact CD2-CZ2 3.49Å; L88-W92 VanDerWaalsContact CD2-CZ2 3.49Å; L88-W92 HydrophobicContact CG-CD2 4.27Å; L88-W92 HydrophobicContact CG-CH2 4.06Å; L88-W92 HydrophobicContact CG-CZ2 3.52Å; L88-W92 PolarHBondContact O-N 3.03Å; I89-W92 HydrophobicContact CG1-CE3 4.15Å; I89-W92 HydrophobicContact CG1-CZ3 4.23Å; I89-W92 PolarHBondContact O-N 3Å; W92-K94 VanDerWaalsContact C-N 3.31Å; W92-Y97 VanDerWaalsContact CD1-O 3.25Å; W92-L100 PolarHBondContact NE1-O 3.12Å
93K96.7Very high97.3Very high117 Ų11754.6 Ų54.651%0.50927%0.272SS..THydrogen-bonded Turntrans-80.5-8.4172.9-66-174.5-66.1-174.90114.1F61 Y65 I89 K91F61-K93 HydrophobicContact CE2-CG 4.04Å; Y65-K93 HydrophobicContact CE1-CD 4.05Å; Y65-K93 HydrophobicContact CE2-CD 4.23Å; Y65-K93 PolarHBondContact OH-NZ 2.87Å; I89-K93 PolarHBondContact O-N 3.21Å; K91-K93 PolarHBondContact O-N 2.79Å; K91-K93 VanDerWaalsContact O-N 3.1Å
94K96.8Very high97.4Very high120 Ų12059 Ų5952%0.52229%0.288SS..SBendtrans-94140179.6-61.6-167.5178.3-157.50110.3K91 W92 G96 Y97K91-K94 WeakPolarHBondContact O-CB 3.47Å; K91-K94 PolarHBondContact O-N 3.44Å; W92-K94 VanDerWaalsContact C-N 3.31Å; K94-G96 PolarHBondContact O-N 3.02Å; K94-Y97 HydrophobicContact CB-CD2 4.21Å; K94-Y97 PolarHBondContact O-N 3.4Å; K94-Y97 VanDerWaalsContact O-N 3.09Å
95Q95.9Very high97.3Very high171 Ų17158.7 Ų58.780%0.79929%0.286SS*.THydrogen-bonded Turntrans-53.9129.7175.6-172.862.632.700111.1Y97 E98Q95-Y97 VanDerWaalsContact C-N 3.33Å; Q95-Y97 WeakPolarHBondContact O-CD2 3.48Å; Q95-E98 WeakPolarHBondContact CA-OE1 3.09Å; Q95-E98 PolarHBondContact OE1-OE1 3.18Å
96G94.9Very high97.3Very high27 Ų2758.4 Ų58.428%0.27828%0.284SS..THydrogen-bonded Turntrans83.1-1.2179.100000115.3K94 E98 R120K94-G96 PolarHBondContact O-N 3.02Å; G96-E98 WeakPolarHBondContact CA-OE2 3.49Å; G96-E98 VanDerWaalsContact N-CD 3.25Å; G96-E98 PolarHBondContact N-OE1 3.25Å; G96-E98 PolarHBondContact N-OE2 3.45Å; G96-R120 PolarHBondContact O-NH1 3.4Å; G96-R120 PolarHBondContact O-NH2 3.44Å
97Y96.9Very high97.2Very high67 Ų6755.2 Ų55.226%0.26327%0.272SS..  trans-118.29.3178.2-68.1-90.3000113K91 W92 K94 Q95 N99 L100 I106K91-Y97 VanDerWaalsContact O-CB 3.25Å; K91-Y97 WeakPolarHBondContact O-CB 3.47Å; W92-Y97 VanDerWaalsContact CD1-O 3.25Å; K94-Y97 HydrophobicContact CB-CD2 4.21Å; K94-Y97 PolarHBondContact O-N 3.4Å; K94-Y97 VanDerWaalsContact O-N 3.09Å; Q95-Y97 VanDerWaalsContact C-N 3.33Å; Q95-Y97 WeakPolarHBondContact O-CD2 3.48Å; Y97-N99 PolarHBondContact O-N 3.3Å; Y97-N99 VanDerWaalsContact O-N 3.07Å; Y97-L100 HydrophobicContact CD1-CD1 4.46Å; Y97-L100 HydrophobicContact CD1-CD2 4.25Å; Y97-L100 VanDerWaalsContact O-CB 3.28Å; Y97-L100 WeakPolarHBondContact O-CB 3.28Å; Y97-L100 PolarHBondContact O-N 2.81Å; Y97-I106 HydrophobicContact CD1-CG2 4.15Å; Y97-I106 HydrophobicContact CE1-CB 4.48Å; Y97-I106 HydrophobicContact CE1-CG2 3.67Å
98E96.3Very high97.1Very high65 Ų6553.4 Ų53.430%0.30426%0.264SS..THydrogen-bonded Turntrans-56.3-32.2-172.6-58.381.3179.200112.3R58 Q95 G96R58-E98 PolarHBondContact NH2-O 3.49Å; Q95-E98 WeakPolarHBondContact CA-OE1 3.09Å; Q95-E98 PolarHBondContact OE1-OE1 3.18Å; G96-E98 WeakPolarHBondContact CA-OE2 3.49Å; G96-E98 VanDerWaalsContact N-CD 3.25Å; G96-E98 PolarHBondContact N-OE1 3.25Å; G96-E98 PolarHBondContact N-OE2 3.45Å
99N96.2Very high97Very high107 Ų10763.8 Ų63.857%0.57230%0.303SS*.THydrogen-bonded Turntrans-11222.4-178.9-63.6-38.3000113.3Y97 C101 C142Y97-N99 PolarHBondContact O-N 3.3Å; Y97-N99 VanDerWaalsContact O-N 3.07Å; N99-C101 PolarHBondContact O-N 2.93Å; N99-C142 VanDerWaalsContact O-CB 3.3Å; N99-C142 WeakPolarHBondContact O-CB 3.32Å
100L97.7Very high96.8Very high0 Ų067 Ų670%032%0.32CS..  trans-56.7129.8179.2178.165.3000111.8H54 L88 K91 W92 Y97 I106H54-L100 PolarHBondContact CD2-O 3.01Å; L88-L100 HydrophobicContact CD1-CD2 4.04Å; L88-L100 HydrophobicContact CD1-CG 4.22Å; K91-L100 HydrophobicContact CB-CD2 3.75Å; K91-L100 HydrophobicContact CG-CD2 4.05Å; W92-L100 PolarHBondContact NE1-O 3.12Å; Y97-L100 HydrophobicContact CD1-CD1 4.46Å; Y97-L100 HydrophobicContact CD1-CD2 4.25Å; Y97-L100 VanDerWaalsContact O-CB 3.28Å; Y97-L100 WeakPolarHBondContact O-CB 3.28Å; Y97-L100 PolarHBondContact O-N 2.81Å; L100-I106 HydrophobicContact CD1-CG2 3.49Å; L100-I106 VanDerWaalsContact CD1-CG2 3.49Å; L100-I106 HydrophobicContact CD2-CD1 3.7Å; L100-I106 HydrophobicContact CD2-CG1 4.13Å; L100-I106 HydrophobicContact CD2-CG2 4.19Å
101C97Very high96.6Very high15 Ų1566.6 Ų66.610%0.10131%0.314CS..  trans-73.5-47.4-177.4520000114.2H54 N99 C105 C137 C139 C142H54-C101 PolarHBondContact CD2-O 3.05Å; N99-C101 PolarHBondContact O-N 2.93Å; C101-C105 PolarHBondContact SG-SG 3.02Å; C101-C137 VanDerWaalsContact SG-SG 3.68Å; C101-C139 HydrophobicContact CB-CB 3.75Å; C101-C139 PolarHBondContact SG-SG 3Å; C101-C142 HydrophobicContact CB-CB 4.27Å
102C97.5Very high96.4Very high4 Ų471 Ų713%0.02734%0.341CS..  trans-161.4167.217969.70000110.9F50 R104 C105F50-C102 HydrophobicContact CD1-CB 3.85Å; F50-C102 HydrophobicContact CE1-CB 4.4Å; C102-R104 PolarHBondContact O-N 3.39Å; C102-C105 PolarHBondContact O-N 3.37Å; C102-C105 PolarHBondContact SG-SG 3.45Å
103L97.7Very high96.3Very high53 Ų5379.9 Ų79.928%0.27738%0.38SS..SBendtrans-71-28.3-178.6-63.8173.8000113.4D85 N87 L88 K91 C105 I106 Q107D85-L103 WeakPolarHBondContact OD2-CD1 3.46Å; N87-L103 HydrophobicContact CB-CD1 3.61Å; N87-L103 HydrophobicContact CB-CD2 4.33Å; L88-L103 HydrophobicContact CD1-CD2 4.43Å; K91-L103 HydrophobicContact CG-CD2 3.98Å; L103-C105 VanDerWaalsContact C-N 3.27Å; L103-C105 PolarHBondContact O-N 3.26Å; L103-I106 HydrophobicContact CD2-CD1 4.43Å; L103-I106 WeakPolarHBondContact O-CG1 3.28Å; L103-I106 PolarHBondContact O-N 2.73Å; L103-Q107 PolarHBondContact O-N 3.03Å
104R97.3Very high96.3Very high94 Ų9476.5 Ų76.536%0.35538%0.378SS..G310 helixtrans-63-33.8177.7-64.6-174.168.2-169.63.1112.6F50 C102 I106 Q107 D110 H136F50-R104 HydrophobicContact CE1-CG 4.48Å; C102-R104 PolarHBondContact O-N 3.39Å; R104-I106 PolarHBondContact O-N 3.11Å; R104-I106 VanDerWaalsContact O-N 3.11Å; R104-Q107 PolarHBondContact O-N 2.9Å; R104-Q107 VanDerWaalsContact O-N 3.12Å; R104-D110 IonicContact NE-OD2 3.54Å; R104-D110 PolarHBondContact NE-OD2 3.28Å; R104-H136 HydrophobicContact CB-CB 4.23Å; R104-H136 PolarHBondContact NH2-ND1 2.81Å
105C97Very high96.2Very high0 Ų074.7 Ų74.70%038%0.377CS..G310 helixtrans-68.9-11.1-178.4-71.80000114.6C101 C102 L103 C117 C119 C134 C137C101-C105 PolarHBondContact SG-SG 3.02Å; C102-C105 PolarHBondContact O-N 3.37Å; C102-C105 PolarHBondContact SG-SG 3.45Å; L103-C105 VanDerWaalsContact C-N 3.27Å; L103-C105 PolarHBondContact O-N 3.26Å; C105-C117 HydrophobicContact CB-CB 4.04Å; C105-C117 PolarHBondContact O-N 2.9Å; C105-C119 VanDerWaalsContact CB-SG 3.53Å; C105-C119 PolarHBondContact SG-SG 3.46Å; C105-C134 PolarHBondContact SG-SG 3.34Å; C105-C137 VanDerWaalsContact SG-SG 3.65Å
106I96.9Very high96.2Very high26 Ų2669.2 Ų69.213%0.13335%0.353CS..G310 helixtrans-120.29176.861.3161.3000112K91 Y97 L100 L103 R104 N116 R120K91-I106 HydrophobicContact CD-CD1 3.79Å; K91-I106 HydrophobicContact CG-CD1 3.92Å; Y97-I106 HydrophobicContact CD1-CG2 4.15Å; Y97-I106 HydrophobicContact CE1-CB 4.48Å; Y97-I106 HydrophobicContact CE1-CG2 3.67Å; L100-I106 HydrophobicContact CD1-CG2 3.49Å; L100-I106 VanDerWaalsContact CD1-CG2 3.49Å; L100-I106 HydrophobicContact CD2-CD1 3.7Å; L100-I106 HydrophobicContact CD2-CG1 4.13Å; L100-I106 HydrophobicContact CD2-CG2 4.19Å; L103-I106 HydrophobicContact CD2-CD1 4.43Å; L103-I106 WeakPolarHBondContact O-CG1 3.28Å; L103-I106 PolarHBondContact O-N 2.73Å; R104-I106 PolarHBondContact O-N 3.11Å; R104-I106 VanDerWaalsContact O-N 3.11Å; I106-N116 WeakPolarHBondContact CA-OD1 3.34Å; I106-N116 PolarHBondContact O-OD1 3.03Å; I106-R120 HydrophobicContact CG2-CG 4.03Å
107Q96.9Very high96.2Very high76 Ų7668.6 Ų68.636%0.35534%0.344SS..  trans-91.8104.9177.9178.960.2-80.800108.4L103 R104 R109 D110L103-Q107 PolarHBondContact O-N 3.03Å; R104-Q107 PolarHBondContact O-N 2.9Å; R104-Q107 VanDerWaalsContact O-N 3.12Å; Q107-R109 HydrophobicContact CG-CB 4.15Å; Q107-R109 PolarHBondContact O-N 3.12Å; Q107-D110 HydrophobicContact CB-CB 4.19Å; Q107-D110 HydrophobicContact CG-CB 4.08Å; Q107-D110 WeakPolarHBondContact CG-OD1 3.23Å; Q107-D110 PolarHBondContact O-N 3.35Å; Q107-D110 VanDerWaalsContact O-N 3.09Å
108T95.4Very high96.1Very high61 Ų6168.5 Ų68.537%0.37435%0.348SS..G310 helixtrans-63-29.7-178.3530000112.3D110 T111 G114T108-D110 PolarHBondContact O-N 3.11Å; T108-T111 PolarHBondContact O-N 3.35Å; T108-T111 PolarHBondContact O-OG1 3.09Å; T108-G114 WeakPolarHBondContact CB-O 3.46Å; T108-G114 WeakPolarHBondContact CG2-O 3.29Å; T108-G114 WeakPolarHBondContact O-CA 3.4Å
109R96.6Very high96Very high219 Ų21965.4 Ų65.483%0.82633%0.333SS*.G310 helixtrans-67.7-19.9176.9-59.6-179.3-177-179.6-0.3114.1Q107 T111Q107-R109 HydrophobicContact CG-CB 4.15Å; Q107-R109 PolarHBondContact O-N 3.12Å; R109-T111 PolarHBondContact O-N 3.35Å
110D93.7Very high95.9Very high70 Ų7061.6 Ų61.637%0.37431%0.311SS..G310 helixtrans-85.63179.9-75.614.3000112R104 Q107 T108R104-D110 IonicContact NE-OD2 3.54Å; R104-D110 PolarHBondContact NE-OD2 3.28Å; Q107-D110 HydrophobicContact CB-CB 4.19Å; Q107-D110 HydrophobicContact CG-CB 4.08Å; Q107-D110 WeakPolarHBondContact CG-OD1 3.23Å; Q107-D110 PolarHBondContact O-N 3.35Å; Q107-D110 VanDerWaalsContact O-N 3.09Å; T108-D110 PolarHBondContact O-N 3.11Å
111T94.8Very high95.8Very high32 Ų3264 Ų6420%0.19633%0.326CS..SBendtrans-127.2147.9-177.872.30000111.9T108 R109 F113 G114 T115T108-T111 PolarHBondContact O-N 3.35Å; T108-T111 PolarHBondContact O-OG1 3.09Å; R109-T111 PolarHBondContact O-N 3.35Å; T111-F113 VanDerWaalsContact C-N 3.3Å; T111-F113 PolarHBondContact O-N 2.94Å; T111-G114 PolarHBondContact O-N 2.64Å; T111-G114 PolarHBondContact OG1-N 3.24Å; T111-T115 VanDerWaalsContact CG2-O 3.29Å; T111-T115 WeakPolarHBondContact CG2-O 3.35Å; T111-T115 PolarHBondContact OG1-N 2.71Å; T111-T115 PolarHBondContact OG1-O 3.09Å
112N94.7Very high95.6Very high162 Ų16265.2 Ų65.287%0.86633%0.333SS*.THydrogen-bonded Turntrans-62.1-34.3-176.1-63.9-16.8000113.7
113F96.1Very high95.3Very high192 Ų19270.5 Ų70.584%0.84236%0.356SS*.THydrogen-bonded Turntrans-103.414.3-175.1-58.2-71.2000113.3T111 T115T111-F113 VanDerWaalsContact C-N 3.3Å; T111-F113 PolarHBondContact O-N 2.94Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.77Å
114G95.9Very high94.9Very high46 Ų4673.2 Ų73.247%0.47438%0.379SS..SBendtrans6630.9175.800000114.4T108 T111T108-G114 WeakPolarHBondContact CB-O 3.46Å; T108-G114 WeakPolarHBondContact CG2-O 3.29Å; T108-G114 WeakPolarHBondContact O-CA 3.4Å; T111-G114 PolarHBondContact O-N 2.64Å; T111-G114 PolarHBondContact OG1-N 3.24Å
115T95.8Very high94.7Very high82 Ų8276.8 Ų76.850%0.50340%0.397SS..  trans-121.1174.3-175.7-170.30000112.1T111 F113T111-T115 VanDerWaalsContact CG2-O 3.29Å; T111-T115 WeakPolarHBondContact CG2-O 3.35Å; T111-T115 PolarHBondContact OG1-N 2.71Å; T111-T115 PolarHBondContact OG1-O 3.09Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.77Å
116N94.6Very high94.3Very high55 Ų5578.4 Ų78.429%0.29441%0.406SS..  trans-77.9161.1173.3-69.4-24.9000111.1I106 R120I106-N116 WeakPolarHBondContact CA-OD1 3.34Å; I106-N116 PolarHBondContact O-OD1 3.03Å; N116-R120 HydrophobicContact CB-CB 4.15Å; N116-R120 HydrophobicContact CB-CG 4.1Å
117C95.3Very high94Very high14 Ų1483.7 Ų83.710%0.09543%0.43CS..  trans-66.5151.4176.3-175.90000111.6C105 C119 R120 C134C105-C117 HydrophobicContact CB-CB 4.04Å; C105-C117 PolarHBondContact O-N 2.9Å; C117-C119 PolarHBondContact O-N 3.19Å; C117-R120 WeakPolarHBondContact O-CB 3.36Å; C117-R120 PolarHBondContact O-N 3.01Å; C117-C134 PolarHBondContact SG-SG 3.34Å
118I93.9Very high93.4Very high65 Ų6587.5 Ų87.533%0.33346%0.458SS..G310 helixtrans-53.3-26.2176.2-171.5160.6000113.8R120 V121 L126 I132I118-R120 PolarHBondContact O-N 3.38Å; I118-R120 VanDerWaalsContact O-N 3.11Å; I118-V121 HydrophobicContact CG1-CG2 4.44Å; I118-V121 WeakPolarHBondContact O-CB 3.33Å; I118-V121 WeakPolarHBondContact O-CG2 3.49Å; I118-V121 PolarHBondContact O-N 3.27Å; I118-L126 HydrophobicContact CG1-CD2 4.48Å; I118-I132 HydrophobicContact CD1-CD1 3.76Å; I118-I132 HydrophobicContact CG1-CD1 4.12Å; I118-I132 HydrophobicContact CG1-CG2 4.33Å; I118-I132 HydrophobicContact CG2-CG2 3.79Å
119C94.6Very high92.8Very high0 Ų088.1 Ų88.10%048%0.477CS..G310 helixtrans-61.3-19.7174.466.40000113.6C105 C117 V121 C134 C139 G141 C142C105-C119 VanDerWaalsContact CB-SG 3.53Å; C105-C119 PolarHBondContact SG-SG 3.46Å; C117-C119 PolarHBondContact O-N 3.19Å; C119-V121 VanDerWaalsContact C-N 3.31Å; C119-C134 HydrophobicContact CB-CB 4.23Å; C119-C139 WeakPolarHBondContact CB-SG 3.44Å; C119-C139 VanDerWaalsContact SG-SG 3.65Å; C119-G141 CarbonylContact O-C 3.56Å; C119-G141 WeakPolarHBondContact O-CA 3.4Å; C119-C142 VanDerWaalsContact C-SG 3.55Å; C119-C142 PolarHBondContact O-N 3.06Å; C119-C142 PolarHBondContact O-SG 3.17Å
120R95.6Very high92.4Very high28 Ų2884.3 Ų84.311%0.10646%0.463CS..G310 helixtrans-82.2-6.6175.3-67.5-62.2-59.6137.44.7113.6G96 I106 N116 C117 I118 C142 S143G96-R120 PolarHBondContact O-NH1 3.4Å; G96-R120 PolarHBondContact O-NH2 3.44Å; I106-R120 HydrophobicContact CG2-CG 4.03Å; N116-R120 HydrophobicContact CB-CB 4.15Å; N116-R120 HydrophobicContact CB-CG 4.1Å; C117-R120 WeakPolarHBondContact O-CB 3.36Å; C117-R120 PolarHBondContact O-N 3.01Å; I118-R120 PolarHBondContact O-N 3.38Å; I118-R120 VanDerWaalsContact O-N 3.11Å; R120-C142 WeakPolarHBondContact CD-SG 3.45Å; R120-C142 PolarHBondContact NH1-O 3.4Å; R120-S143 WeakPolarHBondContact O-CB 3.43Å
121V94.1Very high92.1Very high51 Ų5187.1 Ų87.131%0.30948%0.476SS..SBendtrans-79.5127.3175.7-1750000108.7I118 C119 K125 L126I118-V121 HydrophobicContact CG1-CG2 4.44Å; I118-V121 WeakPolarHBondContact O-CB 3.33Å; I118-V121 WeakPolarHBondContact O-CG2 3.49Å; I118-V121 PolarHBondContact O-N 3.27Å; C119-V121 VanDerWaalsContact C-N 3.31Å; V121-K125 HydrophobicContact CG1-CB 4.13Å; V121-L126 HydrophobicContact CB-CD2 4.12Å; V121-L126 HydrophobicContact CB-CG 4.39Å; V121-L126 HydrophobicContact CG1-CD2 3.72Å; V121-L126 HydrophobicContact CG1-CG 3.95Å
122P93.3Very high91.9Very high39 Ų3986.2 Ų86.225%0.25347%0.47SS..  trans-58.4139.7174.1-23.633.6000111.3S124 K125P122-S124 PolarHBondContact O-N 3.21Å; P122-S124 VanDerWaalsContact O-N 3.14Å; P122-K125 PolarHBondContact O-N 3.24Å
123K90.5Very high91.8Very high115 Ų11581.7 Ų81.750%0.544%0.443SS..G310 helixtrans-59.2-29.3-178.4-73.3174.8-175.4161.70113.7K125 L126 R140 G144K123-K125 PolarHBondContact O-N 3.45Å; K123-L126 PolarHBondContact O-N 3.06Å; K123-R140 WeakPolarHBondContact CE-O 3.36Å; K123-G144 WeakPolarHBondContact CB-O 3.47Å; K123-G144 WeakPolarHBondContact CD-OXT 3.45Å; K123-G144 VanDerWaalsContact CG-O 3.31Å; K123-G144 WeakPolarHBondContact CG-O 3.42Å; K123-G144 PolarHBondContact N-O 3.01Å; K123-G144 PolarHBondContact NZ-OXT 3.41Å
124S91Very high91.8Very high111 Ų11172.6 Ų72.678%0.77640%0.404SS*.G310 helixtrans-63.9-18.417655.60000114.3P122P122-S124 PolarHBondContact O-N 3.21Å; P122-S124 VanDerWaalsContact O-N 3.14Å
125K91.6Very high91.7Very high168 Ų16874.5 Ų74.573%0.7341%0.407SS*.G310 helixtrans-100.91.7175.9-61.7-170.5177-172.80112.8V121 P122 K123V121-K125 HydrophobicContact CG1-CB 4.13Å; P122-K125 PolarHBondContact O-N 3.24Å; K123-K125 PolarHBondContact O-N 3.45Å
126L90Very high91.7Very high35 Ų3571.7 Ų71.718%0.18339%0.387CS..SBendtrans-101.7154.7176.7-64.5175.8000109.8I118 V121 K123 V128 I132I118-L126 HydrophobicContact CG1-CD2 4.48Å; V121-L126 HydrophobicContact CB-CD2 4.12Å; V121-L126 HydrophobicContact CB-CG 4.39Å; V121-L126 HydrophobicContact CG1-CD2 3.72Å; V121-L126 HydrophobicContact CG1-CG 3.95Å; K123-L126 PolarHBondContact O-N 3.06Å; L126-V128 PolarHBondContact O-N 3.35Å; L126-I132 HydrophobicContact CD1-CD1 4.05Å; L126-I132 HydrophobicContact CD1-CG1 3.63Å
127E88.8Confident91.8Very high137 Ų13769.6 Ų69.664%0.6438%0.377SS*.PPolyproline II helixtrans-60.6135.7173.9-66.1162.715600110.5G129 R130E127-G129 PolarHBondContact O-N 3.04Å; E127-R130 HydrophobicContact CB-CB 4.37Å; E127-R130 WeakPolarHBondContact O-CB 3.46Å; E127-R130 PolarHBondContact O-N 3.16Å; E127-R130 IonicContact OE2-NH1 2.94Å; E127-R130 PolarHBondContact OE2-NH1 3.28Å
128V85.1Confident91.8Very high155 Ų15569.7 Ų69.794%0.93938%0.381SS*.THydrogen-bonded Turntrans-62131.6-179.1-177.30000109.7L126 R130L126-V128 PolarHBondContact O-N 3.35Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 3.38Å
129G82.4Confident91.9Very high75 Ų7567.8 Ų67.877%0.77337%0.372SS*.THydrogen-bonded Turntrans85.2-5.3179.500000115E127 I131E127-G129 PolarHBondContact O-N 3.04Å; G129-I131 PolarHBondContact O-N 2.99Å
130R87.9Confident91.9Very high139 Ų13975 Ų7553%0.52540%0.4SS..  trans-72.3115.5176.2-172.4174.3176.5168.3-2.5111.2E127 V128 I132E127-R130 HydrophobicContact CB-CB 4.37Å; E127-R130 WeakPolarHBondContact O-CB 3.46Å; E127-R130 PolarHBondContact O-N 3.16Å; E127-R130 IonicContact OE2-NH1 2.94Å; E127-R130 PolarHBondContact OE2-NH1 3.28Å; V128-R130 VanDerWaalsContact C-N 3.31Å; V128-R130 PolarHBondContact O-N 3.38Å; R130-I132 HydrophobicContact CG-CD1 3.94Å; R130-I132 PolarHBondContact O-N 3.46Å
131I87.7Confident91.7Very high129 Ų12974.8 Ų74.866%0.66241%0.406SS*.  trans-76.3120.6172.4-57.8175.6000108.6G129 E133G129-I131 PolarHBondContact O-N 2.99Å; I131-E133 HydrophobicContact CG2-CG 4.19Å
132I91.1Very high91.6Very high13 Ų1372.7 Ų72.77%0.06739%0.394CS..  trans-97.2129.3174.5-58-56000109I118 L126 R130 R140I118-I132 HydrophobicContact CD1-CD1 3.76Å; I118-I132 HydrophobicContact CG1-CD1 4.12Å; I118-I132 HydrophobicContact CG1-CG2 4.33Å; I118-I132 HydrophobicContact CG2-CG2 3.79Å; L126-I132 HydrophobicContact CD1-CD1 4.05Å; L126-I132 HydrophobicContact CD1-CG1 3.63Å; R130-I132 HydrophobicContact CG-CD1 3.94Å; R130-I132 PolarHBondContact O-N 3.46Å; I132-R140 VanDerWaalsContact O-CA 3.26Å; I132-R140 WeakPolarHBondContact O-CA 3.36Å; I132-R140 WeakPolarHBondContact O-CB 3.15Å; I132-R140 VanDerWaalsContact O-CG 3.27Å; I132-R140 WeakPolarHBondContact O-CG 3.14Å
133E93.6Very high91.3Very high66 Ų6672.7 Ų72.731%0.30840%0.395SS..  trans-130.2114.8168.6-63.2-16915100109.4R41 W47 I131 T135 R140R41-E133 IonicContact NH2-OE2 3.11Å; R41-E133 PolarHBondContact NH2-OE2 3.25Å; W47-E133 HydrophobicContact CH2-CB 4.02Å; I131-E133 HydrophobicContact CG2-CG 4.19Å; E133-T135 PolarHBondContact O-N 3.31Å; E133-R140 IonicContact OE1-CZ 3.91Å; E133-R140 IonicContact OE1-NE 3.65Å; E133-R140 IonicContact OE1-NH2 3.42Å; E133-R140 PolarHBondContact OE1-NH2 3.35Å
134C94.6Very high90.1Very high1 Ų170.5 Ų70.51%0.00741%0.405CS..  trans-66.1128176.51740000110.8W47 C105 C117 C119 H136 C137 G138 C139W47-C134 WeakPolarHBondContact CZ2-O 3.31Å; C105-C134 PolarHBondContact SG-SG 3.34Å; C117-C134 PolarHBondContact SG-SG 3.34Å; C119-C134 HydrophobicContact CB-CB 4.23Å; C134-H136 PolarHBondContact O-N 3.36Å; C134-H136 PolarHBondContact SG-N 3.14Å; C134-C137 PolarHBondContact O-N 3.3Å; C134-G138 VanDerWaalsContact O-CA 3.28Å; C134-G138 WeakPolarHBondContact O-CA 3.39Å; C134-G138 PolarHBondContact O-N 3.4Å; C134-C139 VanDerWaalsContact CB-SG 3.56Å; C134-C139 PolarHBondContact N-O 2.88Å
135T94.6Very high90.1Very high87 Ų8768.5 Ų68.553%0.53439%0.387SS..THydrogen-bonded Turntrans-61.3-29.7175.253.50000113.1W47 E133W47-T135 PolarHBondContact NE1-O 3.38Å; E133-T135 PolarHBondContact O-N 3.31Å
136H95.5Very high90Very high22 Ų2263.3 Ų63.310%0.10237%0.369CS..THydrogen-bonded Turntrans-77.6-37.4-178.3-54.4-60.6000114.1F50 R104 C134F50-H136 WeakPolarHBondContact CD2-O 3.44Å; F50-H136 WeakPolarHBondContact CE2-O 3.5Å; R104-H136 HydrophobicContact CB-CB 4.23Å; R104-H136 PolarHBondContact NH2-ND1 2.81Å; C134-H136 PolarHBondContact O-N 3.36Å; C134-H136 PolarHBondContact SG-N 3.14Å
137C96.1Very high90Very high12 Ų1264.8 Ų64.88%0.08138%0.379CS..THydrogen-bonded Turntrans-145.33.3-169.865.80000115.2F50 C101 C105 C134 C139F50-C137 HydrophobicContact CB-CB 3.58Å; F50-C137 HydrophobicContact CD1-CB 4.47Å; F50-C137 HydrophobicContact CD2-CB 4.07Å; F50-C137 HydrophobicContact CG-CB 3.79Å; C101-C137 VanDerWaalsContact SG-SG 3.68Å; C105-C137 VanDerWaalsContact SG-SG 3.65Å; C134-C137 PolarHBondContact O-N 3.3Å; C137-C139 PolarHBondContact O-N 2.85Å
138G95.7Very high90Very high16 Ų1660.6 Ų60.617%0.16536%0.364CS..  trans71.66.9177.700000115.7C134C134-G138 VanDerWaalsContact O-CA 3.28Å; C134-G138 WeakPolarHBondContact O-CA 3.39Å; C134-G138 PolarHBondContact O-N 3.4Å
139C95.9Very high90.4Very high24 Ų2454.7 Ų54.716%0.16233%0.328CS..  trans-69.5154.3-179.773.90000112.3C101 C119 C134 C137C101-C139 HydrophobicContact CB-CB 3.75Å; C101-C139 PolarHBondContact SG-SG 3Å; C119-C139 WeakPolarHBondContact CB-SG 3.44Å; C119-C139 VanDerWaalsContact SG-SG 3.65Å; C134-C139 VanDerWaalsContact CB-SG 3.56Å; C134-C139 PolarHBondContact N-O 2.88Å; C137-C139 PolarHBondContact O-N 2.85Å
140R94.1Very high90.9Very high151 Ų15153.3 Ų53.357%0.5730%0.298SS*.SBendtrans-11438.3-172.6-51.9-168.2166.9169.2-6113.7K123 I132 E133K123-R140 WeakPolarHBondContact CE-O 3.36Å; I132-R140 VanDerWaalsContact O-CA 3.26Å; I132-R140 WeakPolarHBondContact O-CA 3.36Å; I132-R140 WeakPolarHBondContact O-CB 3.15Å; I132-R140 VanDerWaalsContact O-CG 3.27Å; I132-R140 WeakPolarHBondContact O-CG 3.14Å; E133-R140 IonicContact OE1-CZ 3.91Å; E133-R140 IonicContact OE1-NE 3.65Å; E133-R140 IonicContact OE1-NH2 3.42Å; E133-R140 PolarHBondContact OE1-NH2 3.35Å
141G92.2Very high91.1Very high24 Ų2447.2 Ų47.225%0.24728%0.282CS..  trans106.7122.4-174.400000112.1C119C119-G141 CarbonylContact O-C 3.56Å; C119-G141 WeakPolarHBondContact O-CA 3.4Å
142C91.4Very high91.4Very high8 Ų840.9 Ų40.95%0.05425%0.252CS..SBendtrans-120.15.8-179.754.80000113.3N99 C101 C119 R120N99-C142 VanDerWaalsContact O-CB 3.3Å; N99-C142 WeakPolarHBondContact O-CB 3.32Å; C101-C142 HydrophobicContact CB-CB 4.27Å; C119-C142 VanDerWaalsContact C-SG 3.55Å; C119-C142 PolarHBondContact O-N 3.06Å; C119-C142 PolarHBondContact O-SG 3.17Å; R120-C142 WeakPolarHBondContact CD-SG 3.45Å; R120-C142 PolarHBondContact NH1-O 3.4Å
143S87.2Confident91.4Very high39 Ų3943.3 Ų43.327%0.27327%0.268SS..  trans-11424.3177.9-161.60000114R120R120-S143 WeakPolarHBondContact O-CB 3.43Å
144G65.9Low91.2Very high69 Ų6941.2 Ų41.271%0.71126%0.264SS*.  trans105.10-171.700000111.4K123K123-G144 WeakPolarHBondContact CB-O 3.47Å; K123-G144 WeakPolarHBondContact CD-OXT 3.45Å; K123-G144 VanDerWaalsContact CG-O 3.31Å; K123-G144 WeakPolarHBondContact CG-O 3.42Å; K123-G144 PolarHBondContact N-O 3.01Å; K123-G144 PolarHBondContact NZ-OXT 3.41Å

Retrieved 144 of 144 residues in 30.4 ms (Link to these results)

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