A0A3Q0KK46_SCHMA Loading...

Mps one binder kinase activator-like 3 (Mob1 homolog 3) (Mob3)

AlphaFold DB , UniProt , Accession A0A3Q0KK46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 221 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
1M42.6Very low69.5Low237 Ų237125.9 Ų125.9100%1.16765%0.65SS**  0105.60-66.6176.8-171.900106.8T3M1-T3 PolarHBondContact O-N 3.14Å; M1-T3 VanDerWaalsContact O-N 3.15Å
2A49.5Very low71.1Confident106 Ų106131 Ų13188%0.87665%0.654SS**  trans-68.6111.2174.800000107.2S4A2-S4 VanDerWaalsContact C-N 3.3Å; A2-S4 PolarHBondContact O-N 3.11Å
3T50.8Low72.8Confident132 Ų132131.6 Ų131.681%0.8167%0.673SS**  trans-66.794.2169.532.40000107M1 K5M1-T3 PolarHBondContact O-N 3.14Å; M1-T3 VanDerWaalsContact O-N 3.15Å; T3-K5 PolarHBondContact O-N 2.94Å
4S63.3Low74.3Confident106 Ų106127.9 Ų127.974%0.74168%0.684SS**  trans-53.5115.4169.1-179.10000107.1A2 V6A2-S4 VanDerWaalsContact C-N 3.3Å; A2-S4 PolarHBondContact O-N 3.11Å; S4-V6 PolarHBondContact O-N 3.01Å
5K68.8Low75.4Confident153 Ų153121.7 Ų121.767%0.66565%0.653SS**  trans-63.6111.8177.1-88.5-177.4176.4176.30106.5T3 Y7T3-K5 PolarHBondContact O-N 2.94Å; K5-Y7 HydrophobicContact CB-CD2 4.38Å; K5-Y7 HydrophobicContact CB-CE2 3.75Å; K5-Y7 WeakPolarHBondContact O-CD2 3.44Å; K5-Y7 WeakPolarHBondContact O-CE2 3.33Å; K5-Y7 PolarHBondContact O-N 2.69Å; K5-Y7 VanDerWaalsContact O-N 3.13Å
6V72.3Confident76.5Confident115 Ų115121.9 Ų121.970%0.69765%0.646SS**  trans-70.8109.1173.6-178.70000107.9S4S4-V6 PolarHBondContact O-N 3.01Å
7Y76.9Confident77.3Confident125 Ų125120.3 Ų120.349%0.4965%0.654SS.*  trans-88.6122.7175-66.3-82.2000109.8K5 R9 P24K5-Y7 HydrophobicContact CB-CD2 4.38Å; K5-Y7 HydrophobicContact CB-CE2 3.75Å; K5-Y7 WeakPolarHBondContact O-CD2 3.44Å; K5-Y7 WeakPolarHBondContact O-CE2 3.33Å; K5-Y7 PolarHBondContact O-N 2.69Å; K5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-R9 PolarHBondContact O-N 3.47Å; Y7-P24 HydrophobicContact CD1-CG 3.84Å; Y7-P24 HydrophobicContact CE1-CG 3.72Å; Y7-P24 HydrophobicContact CG-CG 4.29Å
8F77.9Confident77.9Confident138 Ų138122.9 Ų122.961%0.60566%0.661SS**  trans-81.6101.2171.7-68.6-80.2000109.7R10F8-R10 HydrophobicContact CB-CG 4.31Å; F8-R10 PolarHBondContact O-N 3.23Å
9R85.6Confident78.4Confident66 Ų66121.9 Ų121.925%0.24965%0.652CS.*  trans-75.860.3178.5-60.1176.8-179.5-79.7-14.4112.7Y7 W23 P24 D25 E26Y7-R9 PolarHBondContact O-N 3.47Å; R9-W23 HydrophobicContact CB-CD2 3.91Å; R9-W23 HydrophobicContact CB-CE3 4.45Å; R9-W23 HydrophobicContact CB-CG 4.03Å; R9-W23 HydrophobicContact CB-CZ2 4.47Å; R9-W23 HydrophobicContact CG-CB 4.45Å; R9-W23 HydrophobicContact CG-CD2 4.36Å; R9-W23 HydrophobicContact CG-CG 3.94Å; R9-W23 VanDerWaalsContact NH1-CD1 3.32Å; R9-P24 VanDerWaalsContact CZ-O 3.3Å; R9-P24 PolarHBondContact NH1-O 2.93Å; R9-P24 PolarHBondContact NH2-O 3.5Å; R9-D25 PolarHBondContact NH2-O 2.83Å; R9-E26 VanDerWaalsContact CZ-CD 3.45Å; R9-E26 IonicContact CZ-OE1 3.29Å; R9-E26 VanDerWaalsContact CZ-OE1 3.29Å; R9-E26 IonicContact CZ-OE2 3.63Å; R9-E26 IonicContact NE-OE1 2.81Å; R9-E26 PolarHBondContact NE-OE1 3.16Å; R9-E26 IonicContact NE-OE2 3.13Å; R9-E26 PolarHBondContact NE-OE2 3.32Å; R9-E26 VanDerWaalsContact NE-OE2 3.13Å; R9-E26 IonicContact NH2-OE1 3.09Å; R9-E26 PolarHBondContact NH2-OE1 3.32Å; R9-E26 VanDerWaalsContact NH2-OE1 3.09Å; R9-E26 IonicContact NH2-OE2 3.99Å
10R87.5Confident79Confident166 Ų166123.9 Ų123.963%0.62665%0.65SS**SBendtrans-143.6140.6-179.963.6-175.6176.6178.6-2111.9F8F8-R10 HydrophobicContact CB-CG 4.31Å; F8-R10 PolarHBondContact O-N 3.23Å
11N89.5Confident79.5Confident41 Ų41119.2 Ų119.222%0.21963%0.627CS.*PPolyproline II helixtrans-74.4132.5171.6-63-42.6000109.4T15 W20 C21 W23N11-T15 HydrophobicContact CB-CG2 4.36Å; N11-W20 HydrophobicContact CB-CE3 3.88Å; N11-W20 HydrophobicContact CB-CH2 4.13Å; N11-W20 HydrophobicContact CB-CZ3 3.66Å; N11-W20 VanDerWaalsContact ND2-CZ2 3.35Å; N11-W20 WeakPolarHBondContact ND2-CZ2 3.31Å; N11-C21 PolarHBondContact ND2-SG 3.13Å; N11-C21 PolarHBondContact OD1-N 2.81Å; N11-W23 WeakPolarHBondContact OD1-CZ3 3.4Å
12R88.8Confident81.6Confident187 Ų187114.1 Ų114.171%0.70661%0.605SS**PPolyproline II helixtrans-82.9154.8176.6-65.9-174.8-179.3-166.40.9109.2G14 T15R12-G14 PolarHBondContact O-N 2.77Å; R12-T15 PolarHBondContact N-OG1 3.29Å; R12-T15 WeakPolarHBondContact O-CB 3.28Å; R12-T15 PolarHBondContact O-N 3.22Å; R12-T15 PolarHBondContact O-OG1 3.39Å
13P92.9Very high83.5Confident139 Ų139111.6 Ų111.690%0.90357%0.572SS**THydrogen-bonded Turntrans-52.9128168.7-25.234.9000110.3
14G93.2Very high85.3Confident80 Ų80108.2 Ų108.283%0.82555%0.553SS**THydrogen-bonded Turntrans85.14.2-176.900000115.9R12 K16R12-G14 PolarHBondContact O-N 2.77Å; G14-K16 PolarHBondContact O-N 3.16Å
15T91.8Very high86.7Confident35 Ų35106.4 Ų106.422%0.21554%0.535CS..  trans-56.3127.6170-69.10000110N11 R12 E19 W20N11-T15 HydrophobicContact CB-CG2 4.36Å; R12-T15 PolarHBondContact N-OG1 3.29Å; R12-T15 WeakPolarHBondContact O-CB 3.28Å; R12-T15 PolarHBondContact O-N 3.22Å; R12-T15 PolarHBondContact O-OG1 3.39Å; T15-E19 HydrophobicContact CG2-CB 3.71Å; T15-W20 HydrophobicContact CG2-CE3 4.45Å
16K93.1Very high87.8Confident124 Ų124101.6 Ų101.654%0.53952%0.515SS..  trans-68.4157.3177.8-66.8-179.3177.3-179.40110.7G14 E18 E19 W20G14-K16 PolarHBondContact O-N 3.16Å; K16-E18 PolarHBondContact O-N 3.33Å; K16-E19 PolarHBondContact O-N 3Å; K16-W20 PolarHBondContact O-N 2.84Å; K16-W20 VanDerWaalsContact O-N 3.15Å
17A88.9Confident88.8Confident95 Ų9599.2 Ų99.279%0.78550%0.502SS*.G310 helixtrans-54.9-38.417500000112.3E19 W20A17-E19 VanDerWaalsContact C-N 3.26Å; A17-E19 PolarHBondContact O-N 3Å; A17-W20 WeakPolarHBondContact O-CB 3.43Å; A17-W20 PolarHBondContact O-N 3.35Å
18E88.5Confident89.6Confident168 Ų16895.6 Ų95.679%0.78549%0.489SS*.G310 helixtrans-64.3-26.7177.4-60.6164.5-137.400113.8K16K16-E18 PolarHBondContact O-N 3.33Å
19E87.7Confident90.2Very high103 Ų10397.2 Ų97.248%0.48150%0.498SS..G310 helixtrans-99.5-0.4-179.3-66.7173.7-175.600112T15 K16 A17 C21 N22T15-E19 HydrophobicContact CG2-CB 3.71Å; K16-E19 PolarHBondContact O-N 3Å; A17-E19 VanDerWaalsContact C-N 3.26Å; A17-E19 PolarHBondContact O-N 3Å; E19-C21 PolarHBondContact O-N 3.25Å; E19-N22 WeakPolarHBondContact O-CB 3.35Å; E19-N22 PolarHBondContact O-N 2.93Å
20W89.6Confident90.5Very high162 Ų16298.5 Ų98.561%0.61451%0.51SS*.THydrogen-bonded Turntrans-66.7122.2-173.4-171.9-96.5000110.9N11 T15 K16 A17 N22N11-W20 HydrophobicContact CB-CE3 3.88Å; N11-W20 HydrophobicContact CB-CH2 4.13Å; N11-W20 HydrophobicContact CB-CZ3 3.66Å; N11-W20 VanDerWaalsContact ND2-CZ2 3.35Å; N11-W20 WeakPolarHBondContact ND2-CZ2 3.31Å; T15-W20 HydrophobicContact CG2-CE3 4.45Å; K16-W20 PolarHBondContact O-N 2.84Å; K16-W20 VanDerWaalsContact O-N 3.15Å; A17-W20 WeakPolarHBondContact O-CB 3.43Å; A17-W20 PolarHBondContact O-N 3.35Å; W20-N22 PolarHBondContact O-N 3.21Å
21C90.2Very high90.7Very high26 Ų2691.3 Ų91.318%0.17648%0.484CS..THydrogen-bonded Turntrans5926.5-176.7-58.80000114.4N11 E19 W23 R46N11-C21 PolarHBondContact ND2-SG 3.13Å; N11-C21 PolarHBondContact OD1-N 2.81Å; E19-C21 PolarHBondContact O-N 3.25Å; C21-W23 VanDerWaalsContact C-N 3.3Å; C21-W23 VanDerWaalsContact CA-CZ3 3.47Å; C21-W23 HydrophobicContact CB-CH2 3.75Å; C21-W23 HydrophobicContact CB-CZ2 3.86Å; C21-W23 HydrophobicContact CB-CZ3 4.18Å; C21-W23 PolarHBondContact O-N 2.87Å; C21-W23 VanDerWaalsContact O-N 3.17Å; C21-W23 WeakPolarHBondContact SG-CH2 3.3Å; C21-R46 PolarHBondContact O-NH1 2.76Å
22N87.3Confident90.4Very high129 Ų12998.9 Ų98.969%0.6952%0.518SS*.  trans-89.853.7-178.2-166.618.2000112.9E19 W20E19-N22 WeakPolarHBondContact O-CB 3.35Å; E19-N22 PolarHBondContact O-N 2.93Å; W20-N22 PolarHBondContact O-N 3.21Å
23W88.9Confident90.4Very high53 Ų5392.1 Ų92.120%0.20150%0.499CS..PPolyproline II helixtrans-101.6154.8171.347.172.9000110.9R9 N11 C21R9-W23 HydrophobicContact CB-CD2 3.91Å; R9-W23 HydrophobicContact CB-CE3 4.45Å; R9-W23 HydrophobicContact CB-CG 4.03Å; R9-W23 HydrophobicContact CB-CZ2 4.47Å; R9-W23 HydrophobicContact CG-CB 4.45Å; R9-W23 HydrophobicContact CG-CD2 4.36Å; R9-W23 HydrophobicContact CG-CG 3.94Å; R9-W23 VanDerWaalsContact NH1-CD1 3.32Å; N11-W23 WeakPolarHBondContact OD1-CZ3 3.4Å; C21-W23 VanDerWaalsContact C-N 3.3Å; C21-W23 VanDerWaalsContact CA-CZ3 3.47Å; C21-W23 HydrophobicContact CB-CH2 3.75Å; C21-W23 HydrophobicContact CB-CZ2 3.86Å; C21-W23 HydrophobicContact CB-CZ3 4.18Å; C21-W23 PolarHBondContact O-N 2.87Å; C21-W23 VanDerWaalsContact O-N 3.17Å; C21-W23 WeakPolarHBondContact SG-CH2 3.3Å
24P89.6Confident90.2Very high62 Ų6290.3 Ų90.340%0.40349%0.486SS..PPolyproline II helixtrans-57.3150.7178.6-24.134.6000112.5Y7 R9Y7-P24 HydrophobicContact CD1-CG 3.84Å; Y7-P24 HydrophobicContact CE1-CG 3.72Å; Y7-P24 HydrophobicContact CG-CG 4.29Å; R9-P24 VanDerWaalsContact CZ-O 3.3Å; R9-P24 PolarHBondContact NH1-O 2.93Å; R9-P24 PolarHBondContact NH2-O 3.5Å
25D91.8Very high90.2Very high68 Ų6889.3 Ų89.336%0.36446%0.461SS..PPolyproline II helixtrans-62.7142.9179.1-76.20.3000112.2R9 Q43 R47R9-D25 PolarHBondContact NH2-O 2.83Å; D25-Q43 HydrophobicContact CB-CG 4.14Å; D25-Q43 VanDerWaalsContact CG-CD 3.45Å; D25-Q43 VanDerWaalsContact CG-CG 3.43Å; D25-Q43 WeakPolarHBondContact OD1-CG 3.36Å; D25-R47 IonicContact OD2-CZ 3.77Å; D25-R47 IonicContact OD2-NH1 2.93Å; D25-R47 PolarHBondContact OD2-NH1 3.15Å
26E91.6Very high90.3Very high51 Ų5188.2 Ų88.224%0.23846%0.456CS..PPolyproline II helixtrans-96.2137.6167.5-150139.8-11100109.6R9 D30 M31 Q43R9-E26 VanDerWaalsContact CZ-CD 3.45Å; R9-E26 IonicContact CZ-OE1 3.29Å; R9-E26 VanDerWaalsContact CZ-OE1 3.29Å; R9-E26 IonicContact CZ-OE2 3.63Å; R9-E26 IonicContact NE-OE1 2.81Å; R9-E26 PolarHBondContact NE-OE1 3.16Å; R9-E26 IonicContact NE-OE2 3.13Å; R9-E26 PolarHBondContact NE-OE2 3.32Å; R9-E26 VanDerWaalsContact NE-OE2 3.13Å; R9-E26 IonicContact NH2-OE1 3.09Å; R9-E26 PolarHBondContact NH2-OE1 3.32Å; R9-E26 VanDerWaalsContact NH2-OE1 3.09Å; R9-E26 IonicContact NH2-OE2 3.99Å; E26-D30 HydrophobicContact CG-CB 3.79Å; E26-M31 HydrophobicContact CB-CE 3.67Å; E26-M31 HydrophobicContact CB-CG 4.02Å; E26-M31 HydrophobicContact CG-CG 3.99Å; E26-Q43 PolarHBondContact O-NE2 2.81Å
27P92.6Very high90.5Very high66 Ų6683 Ų8343%0.42943%0.434SS..PPolyproline II helixtrans-55.9142.3158.4-22.535.4000110.3E29 D30P27-E29 HydrophobicContact CB-CG 3.92Å; P27-E29 PolarHBondContact O-N 3.28Å; P27-D30 WeakPolarHBondContact CG-OD2 3.41Å; P27-D30 PolarHBondContact O-N 3.43Å; P27-D30 VanDerWaalsContact O-N 3.13Å
28F93.7Very high90.8Very high48 Ų4880.5 Ų80.521%0.21141%0.406CS..G310 helixtrans-60.5-34.5-178.3-177-107.9000112.6D30 M31 A36 V37 Y40 P59 Q62F28-D30 PolarHBondContact O-N 3.29Å; F28-M31 HydrophobicContact CD2-SD 4.15Å; F28-M31 WeakPolarHBondContact O-CB 3.29Å; F28-M31 PolarHBondContact O-N 2.92Å; F28-A36 HydrophobicContact CE2-CB 4.22Å; F28-V37 HydrophobicContact CE2-CG2 4.21Å; F28-V37 HydrophobicContact CZ-CG2 4.08Å; F28-Y40 HydrophobicContact CB-CD2 3.97Å; F28-Y40 HydrophobicContact CB-CE2 4.01Å; F28-Y40 HydrophobicContact CD2-CD1 4.36Å; F28-Y40 AromaticContact CD2-CD2 3.88Å; F28-Y40 HydrophobicContact CD2-CD2 3.88Å; F28-Y40 AromaticContact CD2-CG 3.73Å; F28-Y40 HydrophobicContact CD2-CG 3.73Å; F28-Y40 HydrophobicContact CE2-CG 4.41Å; F28-Y40 HydrophobicContact CG-CD2 4.36Å; F28-P59 HydrophobicContact CB-CB 4.31Å; F28-P59 HydrophobicContact CB-CG 4.2Å; F28-P59 HydrophobicContact CD1-CB 3.46Å; F28-P59 VanDerWaalsContact CD1-CB 3.46Å; F28-P59 HydrophobicContact CD1-CG 3.71Å; F28-P59 HydrophobicContact CD2-CG 3.91Å; F28-P59 HydrophobicContact CE1-CB 3.86Å; F28-P59 HydrophobicContact CE1-CG 4.01Å; F28-P59 HydrophobicContact CE2-CG 4.2Å; F28-P59 HydrophobicContact CG-CB 3.85Å; F28-P59 HydrophobicContact CG-CG 3.65Å; F28-P59 HydrophobicContact CZ-CG 4.25Å; F28-Q62 VanDerWaalsContact CZ-OE1 3.3Å
29E91.9Very high91.1Very high173 Ų17376.1 Ų76.181%0.80839%0.386SS*.G310 helixtrans-63.6-25.817859.6-173.5-179.500114.1P27P27-E29 HydrophobicContact CB-CG 3.92Å; P27-E29 PolarHBondContact O-N 3.28Å
30D91.5Very high91.5Very high92 Ų9273.1 Ų73.149%0.49237%0.37SS..G310 helixtrans-89.3-4.5179.5-67-31.1000112.4E26 P27 F28 E32E26-D30 HydrophobicContact CG-CB 3.79Å; P27-D30 WeakPolarHBondContact CG-OD2 3.41Å; P27-D30 PolarHBondContact O-N 3.43Å; P27-D30 VanDerWaalsContact O-N 3.13Å; F28-D30 PolarHBondContact O-N 3.29Å; D30-E32 PolarHBondContact O-N 3.4Å
31M91.3Very high91.9Very high16 Ų1665.4 Ų65.48%0.07934%0.341CS..  trans-8293.3-178.1-65.1-172.7179.400111.9E26 F28 S33 A36 Q39 Y40E26-M31 HydrophobicContact CB-CE 3.67Å; E26-M31 HydrophobicContact CB-CG 4.02Å; E26-M31 HydrophobicContact CG-CG 3.99Å; F28-M31 HydrophobicContact CD2-SD 4.15Å; F28-M31 WeakPolarHBondContact O-CB 3.29Å; F28-M31 PolarHBondContact O-N 2.92Å; M31-S33 PolarHBondContact O-N 3.09Å; M31-A36 HydrophobicContact CB-CB 3.67Å; M31-A36 HydrophobicContact SD-CB 4.46Å; M31-Q39 HydrophobicContact SD-CB 4.22Å; M31-Y40 HydrophobicContact CE-CD2 3.96Å; M31-Y40 HydrophobicContact SD-CD2 4.48Å
32E83.8Confident92.2Very high200 Ų20066.8 Ų66.894%0.93535%0.345SS*.  trans-82.429.5-176.3-60.7-17216100115.5D30D30-E32 PolarHBondContact O-N 3.4Å
33S88.1Confident92.6Very high45 Ų4560.9 Ų60.932%0.31531%0.313SS..SBendtrans-113.2147.7-172.7-179.20000113.4M31 L35 A36M31-S33 PolarHBondContact O-N 3.09Å; S33-L35 PolarHBondContact O-N 3.34Å; S33-L35 PolarHBondContact OG-N 2.94Å; S33-A36 VanDerWaalsContact O-CB 3.23Å; S33-A36 WeakPolarHBondContact O-CB 3.39Å; S33-A36 PolarHBondContact O-N 2.95Å
34T89.7Confident93Very high101 Ų10158.3 Ų58.362%0.6230%0.303SS*.THydrogen-bonded Turntrans-62.4-11.1166.159.70000113.3
35L92.6Very high93.3Very high59 Ų5956.3 Ų56.331%0.30929%0.289SS..THydrogen-bonded Turntrans-104.511.6174.9-54.5179.7000112.7S33 V37 Q38 Q39S33-L35 PolarHBondContact O-N 3.34Å; S33-L35 PolarHBondContact OG-N 2.94Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.07Å; L35-Q38 HydrophobicContact CB-CB 4.48Å; L35-Q38 WeakPolarHBondContact O-CA 3.29Å; L35-Q38 WeakPolarHBondContact O-CB 3.45Å; L35-Q38 PolarHBondContact O-N 3.15Å; L35-Q39 HydrophobicContact CB-CG 4.36Å; L35-Q39 WeakPolarHBondContact O-CG 3.3Å; L35-Q39 PolarHBondContact O-N 2.99Å
36A94.5Very high93.5Very high12 Ų1257.7 Ų57.710%0.09929%0.289CS..Hα-helixtrans-51.5-46.8-175.600000112.7F28 M31 S33 Q38 Q39 Y40F28-A36 HydrophobicContact CE2-CB 4.22Å; M31-A36 HydrophobicContact CB-CB 3.67Å; M31-A36 HydrophobicContact SD-CB 4.46Å; S33-A36 VanDerWaalsContact O-CB 3.23Å; S33-A36 WeakPolarHBondContact O-CB 3.39Å; S33-A36 PolarHBondContact O-N 2.95Å; A36-Q38 PolarHBondContact O-N 3.33Å; A36-Q39 PolarHBondContact O-N 2.91Å; A36-Y40 WeakPolarHBondContact O-CB 3.48Å; A36-Y40 PolarHBondContact O-N 2.79Å
37V96.4Very high93.6Very high13 Ų1360.1 Ų60.18%0.07930%0.296CS..Hα-helixtrans-61.8-44.61781790000111.7F28 L35 Q39 Y40 I41 Q62 V66 W67 E70F28-V37 HydrophobicContact CE2-CG2 4.21Å; F28-V37 HydrophobicContact CZ-CG2 4.08Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.07Å; V37-Q39 PolarHBondContact O-N 3.03Å; V37-Y40 PolarHBondContact O-N 2.94Å; V37-I41 HydrophobicContact CG1-CD1 3.9Å; V37-I41 VanDerWaalsContact O-CG1 3.25Å; V37-I41 WeakPolarHBondContact O-CG1 3.46Å; V37-I41 PolarHBondContact O-N 3.48Å; V37-Q62 HydrophobicContact CG2-CG 4.42Å; V37-V66 HydrophobicContact CB-CG1 4.46Å; V37-V66 HydrophobicContact CG2-CG1 4Å; V37-W67 HydrophobicContact CG1-CE3 3.65Å; V37-W67 HydrophobicContact CG1-CZ3 4Å; V37-E70 HydrophobicContact CB-CB 4.44Å; V37-E70 HydrophobicContact CB-CG 4.04Å; V37-E70 HydrophobicContact CG1-CB 3.69Å; V37-E70 HydrophobicContact CG1-CG 3.77Å
38Q96Very high93.7Very high44 Ų4460.1 Ų60.121%0.20629%0.293CS..Hα-helixtrans-61.2-45.5175.7-179.4-175.8-10.500111.1L35 A36 Y40 I41 Q42L35-Q38 HydrophobicContact CB-CB 4.48Å; L35-Q38 WeakPolarHBondContact O-CA 3.29Å; L35-Q38 WeakPolarHBondContact O-CB 3.45Å; L35-Q38 PolarHBondContact O-N 3.15Å; A36-Q38 PolarHBondContact O-N 3.33Å; Q38-Y40 VanDerWaalsContact C-N 3.34Å; Q38-Y40 PolarHBondContact O-N 3.44Å; Q38-I41 PolarHBondContact O-N 3.25Å; Q38-Q42 WeakPolarHBondContact O-CB 3.22Å; Q38-Q42 VanDerWaalsContact O-CG 3.27Å; Q38-Q42 WeakPolarHBondContact O-CG 3.35Å; Q38-Q42 PolarHBondContact O-N 3.03Å
39Q94.7Very high93.8Very high75 Ų7560.9 Ų60.935%0.3530%0.296SS..Hα-helixtrans-63.5-41-179.9-70.9170-42.800111.4M31 L35 A36 V37 Q42 Q43M31-Q39 HydrophobicContact SD-CB 4.22Å; L35-Q39 HydrophobicContact CB-CG 4.36Å; L35-Q39 WeakPolarHBondContact O-CG 3.3Å; L35-Q39 PolarHBondContact O-N 2.99Å; A36-Q39 PolarHBondContact O-N 2.91Å; V37-Q39 PolarHBondContact O-N 3.03Å; Q39-Q42 PolarHBondContact O-N 3.07Å; Q39-Q43 WeakPolarHBondContact O-CB 3.42Å; Q39-Q43 PolarHBondContact O-N 2.87Å
40Y96.5Very high94Very high40 Ų4056 Ų5616%0.15728%0.276CS..Hα-helixtrans-64.5-47.8176.7-172.2-103.8000112F28 M31 A36 V37 Q38 Q42 Q43 T44 P59 W67F28-Y40 HydrophobicContact CB-CD2 3.97Å; F28-Y40 HydrophobicContact CB-CE2 4.01Å; F28-Y40 HydrophobicContact CD2-CD1 4.36Å; F28-Y40 AromaticContact CD2-CD2 3.88Å; F28-Y40 HydrophobicContact CD2-CD2 3.88Å; F28-Y40 AromaticContact CD2-CG 3.73Å; F28-Y40 HydrophobicContact CD2-CG 3.73Å; F28-Y40 HydrophobicContact CE2-CG 4.41Å; F28-Y40 HydrophobicContact CG-CD2 4.36Å; M31-Y40 HydrophobicContact CE-CD2 3.96Å; M31-Y40 HydrophobicContact SD-CD2 4.48Å; A36-Y40 WeakPolarHBondContact O-CB 3.48Å; A36-Y40 PolarHBondContact O-N 2.79Å; V37-Y40 PolarHBondContact O-N 2.94Å; Q38-Y40 VanDerWaalsContact C-N 3.34Å; Q38-Y40 PolarHBondContact O-N 3.44Å; Y40-Q42 VanDerWaalsContact C-N 3.31Å; Y40-Q42 PolarHBondContact O-N 2.92Å; Y40-Q43 WeakPolarHBondContact O-CA 2.97Å; Y40-Q43 WeakPolarHBondContact O-CB 3.45Å; Y40-Q43 PolarHBondContact O-N 3.42Å; Y40-T44 HydrophobicContact CD1-CG2 4.3Å; Y40-T44 HydrophobicContact CE1-CG2 3.9Å; Y40-T44 HydrophobicContact CE2-CG2 4.45Å; Y40-T44 PolarHBondContact O-N 3.43Å; Y40-T44 PolarHBondContact O-OG1 3.04Å; Y40-P59 HydrophobicContact CD1-CG 3.83Å; Y40-P59 HydrophobicContact CE1-CG 3.56Å; Y40-P59 HydrophobicContact CG-CG 4.48Å; Y40-W67 AromaticContact CD1-CH2 3.92Å; Y40-W67 HydrophobicContact CD1-CH2 3.92Å; Y40-W67 AromaticContact CD1-CZ3 3.97Å; Y40-W67 HydrophobicContact CD1-CZ3 3.97Å; Y40-W67 HydrophobicContact CE1-CH2 4.15Å
41I97.7Very high94.2Very high0 Ų054.4 Ų54.40%027%0.267CS..Hα-helixtrans-58-45.5175-67.4165.9000110.6V37 Q38 Q43 T44 I45 W67 E70 Q74V37-I41 HydrophobicContact CG1-CD1 3.9Å; V37-I41 VanDerWaalsContact O-CG1 3.25Å; V37-I41 WeakPolarHBondContact O-CG1 3.46Å; V37-I41 PolarHBondContact O-N 3.48Å; Q38-I41 PolarHBondContact O-N 3.25Å; I41-Q43 PolarHBondContact O-N 3.24Å; I41-T44 PolarHBondContact O-N 3.34Å; I41-T44 PolarHBondContact O-OG1 2.86Å; I41-I45 HydrophobicContact CG2-CD1 3.77Å; I41-I45 WeakPolarHBondContact O-CB 3.45Å; I41-I45 VanDerWaalsContact O-CG1 3.25Å; I41-I45 WeakPolarHBondContact O-CG1 2.93Å; I41-I45 PolarHBondContact O-N 3.47Å; I41-W67 HydrophobicContact CD1-CE3 4.41Å; I41-W67 HydrophobicContact CD1-CZ3 4.21Å; I41-W67 HydrophobicContact CG1-CE3 4.49Å; I41-W67 HydrophobicContact CG1-CH2 3.81Å; I41-W67 HydrophobicContact CG1-CZ2 4.49Å; I41-W67 HydrophobicContact CG1-CZ3 3.81Å; I41-E70 HydrophobicContact CD1-CB 3.78Å; I41-Q74 HydrophobicContact CG2-CB 4.2Å; I41-Q74 HydrophobicContact CG2-CG 3.81Å
42Q96.5Very high94.4Very high55 Ų5554.3 Ų54.326%0.25727%0.267SS..Hα-helixtrans-66.8-26.5177.7-70.6177.9-6.900112.6Q38 Q39 Y40 R46Q38-Q42 WeakPolarHBondContact O-CB 3.22Å; Q38-Q42 VanDerWaalsContact O-CG 3.27Å; Q38-Q42 WeakPolarHBondContact O-CG 3.35Å; Q38-Q42 PolarHBondContact O-N 3.03Å; Q39-Q42 PolarHBondContact O-N 3.07Å; Y40-Q42 VanDerWaalsContact C-N 3.31Å; Y40-Q42 PolarHBondContact O-N 2.92Å; Q42-R46 WeakPolarHBondContact O-CB 3.48Å; Q42-R46 WeakPolarHBondContact O-CG 3.09Å; Q42-R46 PolarHBondContact O-N 3.2Å; Q42-R46 VanDerWaalsContact O-N 3.17Å; Q42-R46 PolarHBondContact O-NE 3.35Å
43Q95.6Very high94.9Very high5 Ų550.3 Ų50.32%0.02325%0.252CS..Hα-helixtrans-73-47.7174.7-172.8175.2-7900112.1D25 E26 Q39 Y40 I41 I45 R46 R47D25-Q43 HydrophobicContact CB-CG 4.14Å; D25-Q43 VanDerWaalsContact CG-CD 3.45Å; D25-Q43 VanDerWaalsContact CG-CG 3.43Å; D25-Q43 WeakPolarHBondContact OD1-CG 3.36Å; E26-Q43 PolarHBondContact O-NE2 2.81Å; Q39-Q43 WeakPolarHBondContact O-CB 3.42Å; Q39-Q43 PolarHBondContact O-N 2.87Å; Y40-Q43 WeakPolarHBondContact O-CA 2.97Å; Y40-Q43 WeakPolarHBondContact O-CB 3.45Å; Y40-Q43 PolarHBondContact O-N 3.42Å; I41-Q43 PolarHBondContact O-N 3.24Å; Q43-I45 VanDerWaalsContact C-N 3.32Å; Q43-I45 PolarHBondContact O-N 2.99Å; Q43-R46 PolarHBondContact O-N 2.89Å; Q43-R47 WeakPolarHBondContact O-CB 3.29Å; Q43-R47 PolarHBondContact O-N 2.99Å
44T96.8Very high95.3Very high0 Ų051.2 Ų51.20%025%0.251CS..Hα-helixtrans-63-40.8177.758.10000111.3Y40 I41 R46 R47 D48Y40-T44 HydrophobicContact CD1-CG2 4.3Å; Y40-T44 HydrophobicContact CE1-CG2 3.9Å; Y40-T44 HydrophobicContact CE2-CG2 4.45Å; Y40-T44 PolarHBondContact O-N 3.43Å; Y40-T44 PolarHBondContact O-OG1 3.04Å; I41-T44 PolarHBondContact O-N 3.34Å; I41-T44 PolarHBondContact O-OG1 2.86Å; T44-R46 PolarHBondContact O-N 3.22Å; T44-R47 PolarHBondContact O-N 3.27Å; T44-D48 PolarHBondContact O-N 3.34Å; T44-D48 VanDerWaalsContact O-N 3.11Å
45I96.9Very high95.7Very high20 Ų2046.4 Ų46.410%0.10322%0.222CC..Hα-helixtrans-60.6-44.1173.9-70.4170.3000112I41 Q43 D48 F49 I55 Q74I41-I45 HydrophobicContact CG2-CD1 3.77Å; I41-I45 WeakPolarHBondContact O-CB 3.45Å; I41-I45 VanDerWaalsContact O-CG1 3.25Å; I41-I45 WeakPolarHBondContact O-CG1 2.93Å; I41-I45 PolarHBondContact O-N 3.47Å; Q43-I45 VanDerWaalsContact C-N 3.32Å; Q43-I45 PolarHBondContact O-N 2.99Å; I45-D48 CarbonylContact O-C 3.57Å; I45-F49 HydrophobicContact CG2-CB 4.44Å; I45-F49 WeakPolarHBondContact O-CA 3.06Å; I45-F49 PolarHBondContact O-N 2.95Å; I45-F49 VanDerWaalsContact O-N 3.11Å; I45-I55 HydrophobicContact CD1-CG2 4.47Å; I45-I55 HydrophobicContact CG1-CD1 4.08Å; I45-I55 HydrophobicContact CG1-CG1 4.25Å; I45-I55 HydrophobicContact CG1-CG2 3.88Å; I45-Q74 HydrophobicContact CD1-CG 3.7Å
46R94.4Very high95.9Very high97 Ų9743.6 Ų43.637%0.36621%0.207SC..Hα-helixtrans-67.9-35.4179.2-79.5179.6-63.7116.51.7112.5C21 Q42 Q43 T44C21-R46 PolarHBondContact O-NH1 2.76Å; Q42-R46 WeakPolarHBondContact O-CB 3.48Å; Q42-R46 WeakPolarHBondContact O-CG 3.09Å; Q42-R46 PolarHBondContact O-N 3.2Å; Q42-R46 VanDerWaalsContact O-N 3.17Å; Q42-R46 PolarHBondContact O-NE 3.35Å; Q43-R46 PolarHBondContact O-N 2.89Å; T44-R46 PolarHBondContact O-N 3.22Å
47R93.5Very high96Very high102 Ų10246.5 Ų46.539%0.38522%0.224SC..Hα-helixtrans-65.7-52.5179.1176.9168.960.5-125.35.5111D25 Q43 T44 E54D25-R47 IonicContact OD2-CZ 3.77Å; D25-R47 IonicContact OD2-NH1 2.93Å; D25-R47 PolarHBondContact OD2-NH1 3.15Å; Q43-R47 WeakPolarHBondContact O-CB 3.29Å; Q43-R47 PolarHBondContact O-N 2.99Å; T44-R47 PolarHBondContact O-N 3.27Å; R47-E54 IonicContact CZ-OE1 3.45Å; R47-E54 IonicContact CZ-OE2 3.25Å; R47-E54 IonicContact NE-OE1 3.62Å; R47-E54 IonicContact NE-OE2 2.69Å; R47-E54 PolarHBondContact NE-OE2 3.17Å; R47-E54 IonicContact NH2-OE1 2.63Å; R47-E54 PolarHBondContact NH2-OE1 3.31Å; R47-E54 IonicContact NH2-OE2 3.34Å; R47-E54 PolarHBondContact NH2-OE2 3.46Å
48D95.6Very high96Very high66 Ų6647.3 Ų47.335%0.35323%0.232SC..  trans-159.1103.3173.2-179.76.9000110.3T44 I45 N50 N51 I55T44-D48 PolarHBondContact O-N 3.34Å; T44-D48 VanDerWaalsContact O-N 3.11Å; I45-D48 CarbonylContact O-C 3.57Å; D48-N50 PolarHBondContact O-N 3.06Å; D48-N50 WeakPolarHBondContact OD1-CA 3.39Å; D48-N50 WeakPolarHBondContact OD1-CB 3.21Å; D48-N50 PolarHBondContact OD1-N 2.9Å; D48-N51 HydrophobicContact CB-CB 4.03Å; D48-N51 PolarHBondContact O-N 3.14Å; D48-N51 VanDerWaalsContact O-N 3.14Å; D48-I55 WeakPolarHBondContact O-CD1 3.42Å
49F96Very high95.9Very high63 Ų6346.2 Ų46.228%0.27623%0.229SC..THydrogen-bonded Turntrans-64.8-18.5178.868.4-97.6000113.5I45 S182 A184I45-F49 HydrophobicContact CG2-CB 4.44Å; I45-F49 WeakPolarHBondContact O-CA 3.06Å; I45-F49 PolarHBondContact O-N 2.95Å; I45-F49 VanDerWaalsContact O-N 3.11Å; F49-S182 WeakPolarHBondContact CZ-O 3.31Å; F49-A184 HydrophobicContact CD2-CB 4.01Å; F49-A184 HydrophobicContact CE2-CB 4.45Å
50N95.2Very high95.9Very high72 Ų7252.1 Ų52.139%0.38526%0.256SS..THydrogen-bonded Turntrans-83.8-18.9177.3-69.9-68.2000113.1D48 V52 R187D48-N50 PolarHBondContact O-N 3.06Å; D48-N50 WeakPolarHBondContact OD1-CA 3.39Å; D48-N50 WeakPolarHBondContact OD1-CB 3.21Å; D48-N50 PolarHBondContact OD1-N 2.9Å; N50-V52 WeakPolarHBondContact O-CG2 3.31Å; N50-V52 PolarHBondContact O-N 3.34Å; N50-R187 PolarHBondContact OD1-NH2 2.83Å
51N95.8Very high95.7Very high57 Ų5754.2 Ų54.231%0.30529%0.29SS..  trans-77.369.7177.7-166.8-4.4000111.4D48 D53 E54 I55D48-N51 HydrophobicContact CB-CB 4.03Å; D48-N51 PolarHBondContact O-N 3.14Å; D48-N51 VanDerWaalsContact O-N 3.14Å; N51-D53 VanDerWaalsContact C-N 3.26Å; N51-D53 PolarHBondContact O-N 3.48Å; N51-E54 HydrophobicContact CB-CB 4.27Å; N51-E54 VanDerWaalsContact CG-CB 3.41Å; N51-E54 VanDerWaalsContact ND2-CB 3.27Å; N51-E54 WeakPolarHBondContact ND2-CB 3.29Å; N51-E54 PolarHBondContact ND2-OE2 2.83Å; N51-E54 PolarHBondContact O-N 3.41Å; N51-E54 WeakPolarHBondContact OD1-CB 3.41Å; N51-E54 PolarHBondContact OD1-N 2.94Å; N51-I55 VanDerWaalsContact O-CG1 3.31Å; N51-I55 WeakPolarHBondContact O-CG1 3.43Å; N51-I55 PolarHBondContact O-N 2.81Å
52V95.6Very high95.5Very high15 Ų1556.2 Ų56.29%0.09130%0.299CS..Hα-helixtrans-59.5-38-174.5-178.30000111.8N50 I55 L56 R187 R188 T191N50-V52 WeakPolarHBondContact O-CG2 3.31Å; N50-V52 PolarHBondContact O-N 3.34Å; V52-I55 PolarHBondContact O-N 2.91Å; V52-L56 HydrophobicContact CG1-CD1 3.51Å; V52-L56 HydrophobicContact CG1-CG 4.09Å; V52-L56 WeakPolarHBondContact O-CB 3.43Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 2.85Å; V52-R187 HydrophobicContact CG2-CG 4.25Å; V52-R188 HydrophobicContact CB-CG 4.45Å; V52-R188 HydrophobicContact CG1-CG 4.2Å; V52-R188 HydrophobicContact CG2-CG 3.83Å; V52-T191 HydrophobicContact CG1-CG2 3.9Å
53D95Very high95.4Very high115 Ų11557 Ų5762%0.61531%0.305SS*.Hα-helixtrans-64.3-43.9-178.6-72.1-30.2000111.8N51 T57N51-D53 VanDerWaalsContact C-N 3.26Å; N51-D53 PolarHBondContact O-N 3.48Å; D53-T57 VanDerWaalsContact O-CB 3.31Å; D53-T57 WeakPolarHBondContact O-CB 3.33Å; D53-T57 PolarHBondContact O-N 3.28Å; D53-T57 PolarHBondContact O-OG1 2.94Å
54E95.8Very high95.3Very high64 Ų6461.8 Ų61.830%0.29933%0.327SS..Hα-helixtrans-67.7-47.8176.1-177.1174.6-142.100111.8R47 N51 L56 T57R47-E54 IonicContact CZ-OE1 3.45Å; R47-E54 IonicContact CZ-OE2 3.25Å; R47-E54 IonicContact NE-OE1 3.62Å; R47-E54 IonicContact NE-OE2 2.69Å; R47-E54 PolarHBondContact NE-OE2 3.17Å; R47-E54 IonicContact NH2-OE1 2.63Å; R47-E54 PolarHBondContact NH2-OE1 3.31Å; R47-E54 IonicContact NH2-OE2 3.34Å; R47-E54 PolarHBondContact NH2-OE2 3.46Å; N51-E54 HydrophobicContact CB-CB 4.27Å; N51-E54 VanDerWaalsContact CG-CB 3.41Å; N51-E54 VanDerWaalsContact ND2-CB 3.27Å; N51-E54 WeakPolarHBondContact ND2-CB 3.29Å; N51-E54 PolarHBondContact ND2-OE2 2.83Å; N51-E54 PolarHBondContact O-N 3.41Å; N51-E54 WeakPolarHBondContact OD1-CB 3.41Å; N51-E54 PolarHBondContact OD1-N 2.94Å; E54-L56 PolarHBondContact O-N 3.25Å; E54-T57 PolarHBondContact O-N 3.38Å
55I97.7Very high95.1Very high1 Ų163 Ų631%0.00534%0.335CS..Hα-helixtrans-57.5-38.1-179.6-67.5163.3000111.2I45 D48 N51 V52 W67 H71I45-I55 HydrophobicContact CD1-CG2 4.47Å; I45-I55 HydrophobicContact CG1-CD1 4.08Å; I45-I55 HydrophobicContact CG1-CG1 4.25Å; I45-I55 HydrophobicContact CG1-CG2 3.88Å; D48-I55 WeakPolarHBondContact O-CD1 3.42Å; N51-I55 VanDerWaalsContact O-CG1 3.31Å; N51-I55 WeakPolarHBondContact O-CG1 3.43Å; N51-I55 PolarHBondContact O-N 2.81Å; V52-I55 PolarHBondContact O-N 2.91Å; I55-W67 WeakPolarHBondContact O-CZ2 3.43Å; I55-H71 PolarHBondContact O-CE1 2.84Å; I55-H71 PolarHBondContact O-NE2 2.88Å; I55-H71 VanDerWaalsContact O-NE2 3.13Å
56L97.4Very high95Very high0 Ų062.1 Ų62.10%033%0.33CS..THydrogen-bonded Turntrans-97.110-175-57.9-177.7000113.5V52 E54 F75 R188 T191 F192 K195 Y196V52-L56 HydrophobicContact CG1-CD1 3.51Å; V52-L56 HydrophobicContact CG1-CG 4.09Å; V52-L56 WeakPolarHBondContact O-CB 3.43Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 2.85Å; E54-L56 PolarHBondContact O-N 3.25Å; L56-F75 HydrophobicContact CD2-CZ 4.24Å; L56-R188 WeakPolarHBondContact CD1-O 3.19Å; L56-T191 HydrophobicContact CD1-CG2 3.77Å; L56-F192 HydrophobicContact CD1-CB 3.92Å; L56-F192 HydrophobicContact CD2-CB 3.9Å; L56-F192 HydrophobicContact CD2-CD2 4.12Å; L56-F192 HydrophobicContact CD2-CG 4.43Å; L56-K195 HydrophobicContact CB-CD 4.27Å; L56-K195 WeakPolarHBondContact O-CE 3.23Å; L56-K195 PolarHBondContact O-NZ 3.15Å; L56-Y196 PolarHBondContact O-OH 3.19Å
57T96.8Very high95.1Very high72 Ų7257.5 Ų57.544%0.44231%0.313SS..SBendtrans-102.1115.5175.9-64.50000109.4D53 E54 W67 K195D53-T57 VanDerWaalsContact O-CB 3.31Å; D53-T57 WeakPolarHBondContact O-CB 3.33Å; D53-T57 PolarHBondContact O-N 3.28Å; D53-T57 PolarHBondContact O-OG1 2.94Å; E54-T57 PolarHBondContact O-N 3.38Å; T57-W67 WeakPolarHBondContact O-CZ2 3.34Å; T57-K195 PolarHBondContact OG1-NZ 3Å
58A95.9Very high95.2Very high31 Ų3153.7 Ų53.726%0.25630%0.299SS..PPolyproline II helixtrans-64.6141.7178.700000110.8Q62 W67A58-Q62 HydrophobicContact CB-CB 4.41Å; A58-W67 HydrophobicContact CB-CB 4.44Å; A58-W67 HydrophobicContact CB-CD2 3.69Å; A58-W67 HydrophobicContact CB-CE3 4.17Å; A58-W67 HydrophobicContact CB-CG 3.81Å; A58-W67 HydrophobicContact CB-CZ2 4.39Å
59P95.5Very high95.3Very high21 Ų2150.7 Ų50.714%0.13628%0.283CS..PPolyproline II helixtrans-56.3156.5169-24.634000112.4F28 Y40 G61 Q62F28-P59 HydrophobicContact CB-CB 4.31Å; F28-P59 HydrophobicContact CB-CG 4.2Å; F28-P59 HydrophobicContact CD1-CB 3.46Å; F28-P59 VanDerWaalsContact CD1-CB 3.46Å; F28-P59 HydrophobicContact CD1-CG 3.71Å; F28-P59 HydrophobicContact CD2-CG 3.91Å; F28-P59 HydrophobicContact CE1-CB 3.86Å; F28-P59 HydrophobicContact CE1-CG 4.01Å; F28-P59 HydrophobicContact CE2-CG 4.2Å; F28-P59 HydrophobicContact CG-CB 3.85Å; F28-P59 HydrophobicContact CG-CG 3.65Å; F28-P59 HydrophobicContact CZ-CG 4.25Å; Y40-P59 HydrophobicContact CD1-CG 3.83Å; Y40-P59 HydrophobicContact CE1-CG 3.56Å; Y40-P59 HydrophobicContact CG-CG 4.48Å; P59-G61 PolarHBondContact O-N 3.47Å; P59-Q62 HydrophobicContact CB-CB 4.38Å; P59-Q62 VanDerWaalsContact O-CB 3.28Å; P59-Q62 WeakPolarHBondContact O-CB 3.43Å; P59-Q62 PolarHBondContact O-N 2.94Å; P59-Q62 VanDerWaalsContact O-N 3.16Å
60E93.5Very high95.3Very high199 Ų19947.9 Ų47.993%0.9327%0.271SS*.THydrogen-bonded Turntrans-58.6134.5177.6-171174.4-178.600111.3Q62E60-Q62 PolarHBondContact O-N 2.86Å
61G92.1Very high95.4Very high83 Ų8344.6 Ų44.686%0.85625%0.253SS*.THydrogen-bonded Turntrans75.1-4.8-179.400000115.6P59P59-G61 PolarHBondContact O-N 3.47Å
62Q93.8Very high95.5Very high42 Ų4241.9 Ų41.920%0.19624%0.238CC..  trans-68.9133.1178.2177.552.252.900111.5F28 V37 A58 P59 E60 E64 W67F28-Q62 VanDerWaalsContact CZ-OE1 3.3Å; V37-Q62 HydrophobicContact CG2-CG 4.42Å; A58-Q62 HydrophobicContact CB-CB 4.41Å; P59-Q62 HydrophobicContact CB-CB 4.38Å; P59-Q62 VanDerWaalsContact O-CB 3.28Å; P59-Q62 WeakPolarHBondContact O-CB 3.43Å; P59-Q62 PolarHBondContact O-N 2.94Å; P59-Q62 VanDerWaalsContact O-N 3.16Å; E60-Q62 PolarHBondContact O-N 2.86Å; Q62-E64 PolarHBondContact O-N 3.39Å; Q62-W67 HydrophobicContact CG-CB 4.46Å; Q62-W67 HydrophobicContact CG-CE3 4.23Å
63D93.5Very high95.6Very high73 Ų7343.1 Ų43.139%0.3924%0.241SC..  trans-60.7121.4173.1-178.9-74000110.9V65 V66 W67D63-V65 VanDerWaalsContact C-N 3.3Å; D63-V65 PolarHBondContact O-N 3.24Å; D63-V65 WeakPolarHBondContact OD1-CA 3.31Å; D63-V65 VanDerWaalsContact OD1-CB 3.3Å; D63-V65 WeakPolarHBondContact OD1-CB 3.26Å; D63-V65 PolarHBondContact OD1-N 3.39Å; D63-V66 HydrophobicContact CB-CB 4.2Å; D63-V66 HydrophobicContact CB-CG2 4.02Å; D63-V66 PolarHBondContact O-N 2.86Å; D63-V66 PolarHBondContact OD1-N 2.85Å; D63-W67 WeakPolarHBondContact O-CB 3.49Å; D63-W67 PolarHBondContact O-N 3.26Å
64E93.6Very high95.8Very high104 Ų10438.2 Ų38.249%0.48622%0.215SC..Hα-helixtrans-64.9-31.1-176.6-163.6-170.696.500112.5Q62 W67 K68 Y196Q62-E64 PolarHBondContact O-N 3.39Å; E64-W67 WeakPolarHBondContact O-CB 3.36Å; E64-W67 PolarHBondContact O-N 2.86Å; E64-K68 VanDerWaalsContact O-CG 3.32Å; E64-K68 WeakPolarHBondContact O-CG 3.06Å; E64-K68 PolarHBondContact O-N 3.25Å; E64-K68 WeakPolarHBondContact OE1-CE 3.27Å; E64-K68 IonicContact OE1-NZ 3.73Å; E64-K68 PolarHBondContact OE1-NZ 3.38Å; E64-Y196 HydrophobicContact CG-CD1 4.05Å; E64-Y196 HydrophobicContact CG-CE1 3.89Å
65V94Very high95.9Very high25 Ų2535.3 Ų35.315%0.15220%0.201CC..Hα-helixtrans-72.6-44.2-180-176.80000110.4D63 W67 K68 Y69 I146 V151D63-V65 VanDerWaalsContact C-N 3.3Å; D63-V65 PolarHBondContact O-N 3.24Å; D63-V65 WeakPolarHBondContact OD1-CA 3.31Å; D63-V65 VanDerWaalsContact OD1-CB 3.3Å; D63-V65 WeakPolarHBondContact OD1-CB 3.26Å; D63-V65 PolarHBondContact OD1-N 3.39Å; V65-W67 VanDerWaalsContact C-N 3.26Å; V65-W67 PolarHBondContact O-N 3.47Å; V65-K68 PolarHBondContact O-N 2.98Å; V65-Y69 VanDerWaalsContact O-CB 3.25Å; V65-Y69 WeakPolarHBondContact O-CB 3.21Å; V65-Y69 PolarHBondContact O-N 2.86Å; V65-I146 HydrophobicContact CB-CB 4.33Å; V65-I146 HydrophobicContact CG1-CB 3.57Å; V65-I146 HydrophobicContact CG1-CG1 4.28Å; V65-I146 HydrophobicContact CG1-CG2 3.53Å; V65-V151 HydrophobicContact CB-CG2 4.38Å; V65-V151 HydrophobicContact CG1-CG2 3.53Å; V65-V151 HydrophobicContact CG2-CG2 3.88Å
66V95.2Very high95.9Very high2 Ų235.6 Ų35.61%0.01220%0.203CC..Hα-helixtrans-58.3-43.8171.6173.60000109.8V37 D63 Y69 E70 R143 I146V37-V66 HydrophobicContact CB-CG1 4.46Å; V37-V66 HydrophobicContact CG2-CG1 4Å; D63-V66 HydrophobicContact CB-CB 4.2Å; D63-V66 HydrophobicContact CB-CG2 4.02Å; D63-V66 PolarHBondContact O-N 2.86Å; D63-V66 PolarHBondContact OD1-N 2.85Å; V66-Y69 PolarHBondContact O-N 3.2Å; V66-E70 HydrophobicContact CG1-CG 4.33Å; V66-E70 WeakPolarHBondContact O-CG 3.49Å; V66-E70 PolarHBondContact O-N 2.84Å; V66-R143 VanDerWaalsContact CG1-O 3.32Å; V66-R143 WeakPolarHBondContact CG1-O 3.36Å; V66-I146 HydrophobicContact CG2-CG1 3.88Å
67W96.2Very high95.9Very high0 Ų040.1 Ų40.10%023%0.226CC..Hα-helixtrans-57.9-51.8177.4-175-107.1000112.5V37 Y40 I41 I55 T57 A58 Q62 D63 E64 V65 Y69 E70 H71 Y196V37-W67 HydrophobicContact CG1-CE3 3.65Å; V37-W67 HydrophobicContact CG1-CZ3 4Å; Y40-W67 AromaticContact CD1-CH2 3.92Å; Y40-W67 HydrophobicContact CD1-CH2 3.92Å; Y40-W67 AromaticContact CD1-CZ3 3.97Å; Y40-W67 HydrophobicContact CD1-CZ3 3.97Å; Y40-W67 HydrophobicContact CE1-CH2 4.15Å; I41-W67 HydrophobicContact CD1-CE3 4.41Å; I41-W67 HydrophobicContact CD1-CZ3 4.21Å; I41-W67 HydrophobicContact CG1-CE3 4.49Å; I41-W67 HydrophobicContact CG1-CH2 3.81Å; I41-W67 HydrophobicContact CG1-CZ2 4.49Å; I41-W67 HydrophobicContact CG1-CZ3 3.81Å; I55-W67 WeakPolarHBondContact O-CZ2 3.43Å; T57-W67 WeakPolarHBondContact O-CZ2 3.34Å; A58-W67 HydrophobicContact CB-CB 4.44Å; A58-W67 HydrophobicContact CB-CD2 3.69Å; A58-W67 HydrophobicContact CB-CE3 4.17Å; A58-W67 HydrophobicContact CB-CG 3.81Å; A58-W67 HydrophobicContact CB-CZ2 4.39Å; Q62-W67 HydrophobicContact CG-CB 4.46Å; Q62-W67 HydrophobicContact CG-CE3 4.23Å; D63-W67 WeakPolarHBondContact O-CB 3.49Å; D63-W67 PolarHBondContact O-N 3.26Å; E64-W67 WeakPolarHBondContact O-CB 3.36Å; E64-W67 PolarHBondContact O-N 2.86Å; V65-W67 VanDerWaalsContact C-N 3.26Å; V65-W67 PolarHBondContact O-N 3.47Å; W67-Y69 VanDerWaalsContact C-N 3.31Å; W67-Y69 PolarHBondContact O-N 3.41Å; W67-E70 PolarHBondContact O-N 3.06Å; W67-H71 AromaticContact CD1-CD2 3.91Å; W67-H71 AromaticContact CD2-CD2 3.83Å; W67-H71 AromaticContact CE2-CD2 3.37Å; W67-H71 AromaticContact CE2-NE2 3.25Å; W67-H71 AromaticContact CH2-NE2 3.7Å; W67-H71 AromaticContact CZ2-CD2 3.72Å; W67-H71 AromaticContact CZ2-NE2 3.06Å; W67-H71 WeakPolarHBondContact CZ2-NE2 3.33Å; W67-H71 AromaticContact NE1-CD2 3.43Å; W67-H71 PolarHBondContact NE1-CD2 3.5Å; W67-H71 AromaticContact NE1-NE2 3.59Å; W67-H71 WeakPolarHBondContact O-CB 3.34Å; W67-H71 PolarHBondContact O-N 3.45Å; W67-Y196 AromaticContact CD1-CE2 3.92Å; W67-Y196 AromaticContact CD1-CZ 3.49Å; W67-Y196 VanDerWaalsContact CD1-CZ 3.49Å; W67-Y196 AromaticContact NE1-CE2 3.84Å; W67-Y196 AromaticContact NE1-CZ 3.57Å; W67-Y196 PolarHBondContact NE1-OH 2.95Å
68K95.9Very high96Very high23 Ų2338.4 Ų38.410%0.121%0.213CC..Hα-helixtrans-59.8-42.1176.3-70.1178.8-153.4-165.40112E64 V65 L72 L154 F192 Y196 L198E64-K68 VanDerWaalsContact O-CG 3.32Å; E64-K68 WeakPolarHBondContact O-CG 3.06Å; E64-K68 PolarHBondContact O-N 3.25Å; E64-K68 WeakPolarHBondContact OE1-CE 3.27Å; E64-K68 IonicContact OE1-NZ 3.73Å; E64-K68 PolarHBondContact OE1-NZ 3.38Å; V65-K68 PolarHBondContact O-N 2.98Å; K68-L72 WeakPolarHBondContact O-CB 3.36Å; K68-L72 PolarHBondContact O-N 3.16Å; K68-L154 HydrophobicContact CB-CD1 3.98Å; K68-F192 HydrophobicContact CB-CE2 4.46Å; K68-F192 HydrophobicContact CB-CZ 4.07Å; K68-F192 HydrophobicContact CG-CE2 4.3Å; K68-F192 HydrophobicContact CG-CZ 4.24Å; K68-Y196 HydrophobicContact CD-CD1 4.39Å; K68-Y196 HydrophobicContact CD-CG 4.3Å; K68-Y196 HydrophobicContact CG-CD1 4.2Å; K68-Y196 HydrophobicContact CG-CG 4.03Å; K68-Y196 PolarHBondContact NZ-O 3.33Å; K68-Y196 VanDerWaalsContact NZ-O 3.16Å; K68-L198 HydrophobicContact CD-CD1 4.42Å; K68-L198 HydrophobicContact CD-CD2 4.08Å; K68-L198 HydrophobicContact CD-CG 4.47Å
69Y96.3Very high96.1Very high2 Ų237 Ų371%0.00820%0.201CC..Hα-helixtrans-63.4-47.6-179.6166.4-105.5000111.9V65 V66 W67 L72 R73 L134 F140 R143 I146 L154V65-Y69 VanDerWaalsContact O-CB 3.25Å; V65-Y69 WeakPolarHBondContact O-CB 3.21Å; V65-Y69 PolarHBondContact O-N 2.86Å; V66-Y69 PolarHBondContact O-N 3.2Å; W67-Y69 VanDerWaalsContact C-N 3.31Å; W67-Y69 PolarHBondContact O-N 3.41Å; Y69-L72 PolarHBondContact O-N 3Å; Y69-R73 HydrophobicContact CE2-CG 4.32Å; Y69-R73 VanDerWaalsContact CZ-CD 3.47Å; Y69-R73 WeakPolarHBondContact O-CG 3.34Å; Y69-R73 PolarHBondContact O-N 3.34Å; Y69-R73 VanDerWaalsContact O-N 3.08Å; Y69-R73 PolarHBondContact OH-NH1 3.43Å; Y69-L134 HydrophobicContact CD2-CD2 3.9Å; Y69-L134 HydrophobicContact CE2-CB 4.21Å; Y69-L134 HydrophobicContact CE2-CD2 3.89Å; Y69-L134 WeakPolarHBondContact CE2-O 3.33Å; Y69-L134 PolarHBondContact OH-O 3.29Å; Y69-F140 AromaticContact CD2-CD1 3.58Å; Y69-F140 HydrophobicContact CD2-CD1 3.58Å; Y69-F140 AromaticContact CD2-CE1 3.61Å; Y69-F140 HydrophobicContact CD2-CE1 3.61Å; Y69-F140 HydrophobicContact CD2-CG 4.13Å; Y69-F140 HydrophobicContact CD2-CZ 4.17Å; Y69-F140 HydrophobicContact CE2-CB 3.97Å; Y69-F140 AromaticContact CE2-CD1 3.46Å; Y69-F140 HydrophobicContact CE2-CD1 3.46Å; Y69-F140 VanDerWaalsContact CE2-CD1 3.46Å; Y69-F140 AromaticContact CE2-CD2 3.96Å; Y69-F140 HydrophobicContact CE2-CD2 3.96Å; Y69-F140 AromaticContact CE2-CE1 3.87Å; Y69-F140 HydrophobicContact CE2-CE1 3.87Å; Y69-F140 HydrophobicContact CE2-CE2 4.33Å; Y69-F140 AromaticContact CE2-CG 3.51Å; Y69-F140 HydrophobicContact CE2-CG 3.51Å; Y69-F140 HydrophobicContact CE2-CZ 4.28Å; Y69-F140 HydrophobicContact CG-CD1 4.37Å; Y69-F140 HydrophobicContact CG-CE1 4.5Å; Y69-R143 WeakPolarHBondContact OH-CD 3.4Å; Y69-I146 HydrophobicContact CD1-CD1 4.01Å; Y69-I146 HydrophobicContact CD1-CG1 4.31Å; Y69-I146 HydrophobicContact CE1-CD1 4.23Å; Y69-I146 HydrophobicContact CG-CD1 4.32Å; Y69-I146 HydrophobicContact CG-CG1 4.35Å; Y69-L154 HydrophobicContact CD2-CD2 4.23Å
70E97Very high96.2Very high5 Ų539.6 Ų39.62%0.02321%0.213CC..Hα-helixtrans-69.3-38.4179.5-69.5-59.4155.900112.6V37 I41 V66 W67 L72 R73 Q74 R143V37-E70 HydrophobicContact CB-CB 4.44Å; V37-E70 HydrophobicContact CB-CG 4.04Å; V37-E70 HydrophobicContact CG1-CB 3.69Å; V37-E70 HydrophobicContact CG1-CG 3.77Å; I41-E70 HydrophobicContact CD1-CB 3.78Å; V66-E70 HydrophobicContact CG1-CG 4.33Å; V66-E70 WeakPolarHBondContact O-CG 3.49Å; V66-E70 PolarHBondContact O-N 2.84Å; W67-E70 PolarHBondContact O-N 3.06Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 3.32Å; E70-R73 WeakPolarHBondContact O-CB 3.45Å; E70-R73 PolarHBondContact O-N 3.19Å; E70-R73 IonicContact OE2-NE 4Å; E70-Q74 WeakPolarHBondContact O-CB 3.49Å; E70-Q74 PolarHBondContact O-N 3.32Å; E70-R143 VanDerWaalsContact CD-NH2 3.27Å; E70-R143 IonicContact OE1-CZ 3.85Å; E70-R143 VanDerWaalsContact OE1-CZ 3.24Å; E70-R143 IonicContact OE1-NE 3.74Å; E70-R143 PolarHBondContact OE1-NE 3.35Å; E70-R143 IonicContact OE1-NH2 3.75Å; E70-R143 PolarHBondContact OE1-NH2 3.06Å; E70-R143 IonicContact OE2-CZ 3.38Å; E70-R143 IonicContact OE2-NE 2.68Å; E70-R143 IonicContact OE2-NH2 3.6Å; E70-R143 PolarHBondContact OE2-NH2 3.41Å
71H97.9Very high96.3Very high2 Ų231.5 Ų31.51%0.00918%0.184CC..Hα-helixtrans-59.3-44.4170.7-96.4-68.1000112.2I55 W67 R73 Q74 F75 F192I55-H71 PolarHBondContact O-CE1 2.84Å; I55-H71 PolarHBondContact O-NE2 2.88Å; I55-H71 VanDerWaalsContact O-NE2 3.13Å; W67-H71 AromaticContact CD1-CD2 3.91Å; W67-H71 AromaticContact CD2-CD2 3.83Å; W67-H71 AromaticContact CE2-CD2 3.37Å; W67-H71 AromaticContact CE2-NE2 3.25Å; W67-H71 AromaticContact CH2-NE2 3.7Å; W67-H71 AromaticContact CZ2-CD2 3.72Å; W67-H71 AromaticContact CZ2-NE2 3.06Å; W67-H71 WeakPolarHBondContact CZ2-NE2 3.33Å; W67-H71 AromaticContact NE1-CD2 3.43Å; W67-H71 PolarHBondContact NE1-CD2 3.5Å; W67-H71 AromaticContact NE1-NE2 3.59Å; W67-H71 WeakPolarHBondContact O-CB 3.34Å; W67-H71 PolarHBondContact O-N 3.45Å; H71-R73 VanDerWaalsContact C-N 3.29Å; H71-R73 PolarHBondContact O-N 3.1Å; H71-Q74 WeakPolarHBondContact O-CB 3.49Å; H71-Q74 PolarHBondContact O-N 3.26Å; H71-Q74 VanDerWaalsContact O-N 3.11Å; H71-F75 HydrophobicContact CB-CD2 4.34Å; H71-F75 HydrophobicContact CB-CE2 4.02Å; H71-F75 WeakPolarHBondContact O-CD2 3.3Å; H71-F75 WeakPolarHBondContact O-CG 3.26Å; H71-F75 PolarHBondContact O-N 3.38Å; H71-F192 HydrophobicContact CB-CD2 4.04Å; H71-F192 HydrophobicContact CB-CE2 3.5Å; H71-F192 VanDerWaalsContact CB-CE2 3.5Å; H71-F192 HydrophobicContact CB-CZ 3.76Å; H71-F192 AromaticContact CG-CE2 3.98Å
72L97.7Very high96.6Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-64.4-35.8179.9-170.353.3000112.4K68 Y69 E70 C76 L134 L154 V157 F189K68-L72 WeakPolarHBondContact O-CB 3.36Å; K68-L72 PolarHBondContact O-N 3.16Å; Y69-L72 PolarHBondContact O-N 3Å; E70-L72 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 3.32Å; L72-C76 PolarHBondContact O-N 3.43Å; L72-C76 PolarHBondContact O-SG 2.83Å; L72-L134 HydrophobicContact CD2-CD2 4.34Å; L72-L134 HydrophobicContact CG-CD1 4.19Å; L72-L154 HydrophobicContact CD2-CB 3.96Å; L72-L154 HydrophobicContact CD2-CD2 3.79Å; L72-L154 HydrophobicContact CD2-CG 4.47Å; L72-V157 HydrophobicContact CD1-CG1 4.05Å; L72-V157 HydrophobicContact CD2-CB 3.8Å; L72-V157 HydrophobicContact CD2-CG1 3.79Å; L72-V157 HydrophobicContact CG-CG1 4.01Å; L72-F189 HydrophobicContact CD1-CE2 4.25Å
73R97.5Very high96.8Very high41 Ų4126.2 Ų26.216%0.15514%0.139CC..Hα-helixtrans-62.7-45.2171.1-69.2172.566.188.613.1111.5Y69 E70 H71 C76 M77 L134 N135 R143Y69-R73 HydrophobicContact CE2-CG 4.32Å; Y69-R73 VanDerWaalsContact CZ-CD 3.47Å; Y69-R73 WeakPolarHBondContact O-CG 3.34Å; Y69-R73 PolarHBondContact O-N 3.34Å; Y69-R73 VanDerWaalsContact O-N 3.08Å; Y69-R73 PolarHBondContact OH-NH1 3.43Å; E70-R73 WeakPolarHBondContact O-CB 3.45Å; E70-R73 PolarHBondContact O-N 3.19Å; E70-R73 IonicContact OE2-NE 4Å; H71-R73 VanDerWaalsContact C-N 3.29Å; H71-R73 PolarHBondContact O-N 3.1Å; R73-C76 PolarHBondContact O-N 3.14Å; R73-M77 WeakPolarHBondContact O-CB 3.27Å; R73-M77 PolarHBondContact O-N 3.3Å; R73-L134 HydrophobicContact CG-CB 3.99Å; R73-L134 HydrophobicContact CG-CD1 3.98Å; R73-L134 HydrophobicContact CG-CG 4.41Å; R73-L134 PolarHBondContact NH1-O 3.37Å; R73-N135 PolarHBondContact NH1-OD1 3.31Å; R73-N135 PolarHBondContact NH2-OD1 2.96Å; R73-R143 VanDerWaalsContact CZ-CZ 3.45Å; R73-R143 VanDerWaalsContact NE-CZ 3.32Å; R73-R143 VanDerWaalsContact NE-NH2 3.17Å
74Q98.1Very high97Very high13 Ų1327 Ų276%0.06115%0.146CC..Hα-helixtrans-60.9-46.6177.7-178.962.932.300111.2I41 I45 E70 H71 C76 M77 E78I41-Q74 HydrophobicContact CG2-CB 4.2Å; I41-Q74 HydrophobicContact CG2-CG 3.81Å; I45-Q74 HydrophobicContact CD1-CG 3.7Å; E70-Q74 WeakPolarHBondContact O-CB 3.49Å; E70-Q74 PolarHBondContact O-N 3.32Å; H71-Q74 WeakPolarHBondContact O-CB 3.49Å; H71-Q74 PolarHBondContact O-N 3.26Å; H71-Q74 VanDerWaalsContact O-N 3.11Å; Q74-C76 PolarHBondContact O-N 3.26Å; Q74-M77 WeakPolarHBondContact O-CB 3.47Å; Q74-M77 PolarHBondContact O-N 3.33Å; Q74-M77 VanDerWaalsContact O-N 3.16Å; Q74-E78 WeakPolarHBondContact CG-OE2 3.43Å; Q74-E78 VanDerWaalsContact NE2-CD 3.28Å; Q74-E78 PolarHBondContact NE2-OE2 3.46Å; Q74-E78 PolarHBondContact O-N 3.29Å
75F98.4Very high97.2Very high3 Ų324.2 Ų24.21%0.01314%0.137CC..Hα-helixtrans-59.1-45.2175-72.2-59000112.5L56 H71 M77 E78 L79 L185 R188 F189 F192L56-F75 HydrophobicContact CD2-CZ 4.24Å; H71-F75 HydrophobicContact CB-CD2 4.34Å; H71-F75 HydrophobicContact CB-CE2 4.02Å; H71-F75 WeakPolarHBondContact O-CD2 3.3Å; H71-F75 WeakPolarHBondContact O-CG 3.26Å; H71-F75 PolarHBondContact O-N 3.38Å; F75-M77 VanDerWaalsContact C-N 3.29Å; F75-M77 PolarHBondContact O-N 3.45Å; F75-E78 PolarHBondContact O-N 3.09Å; F75-L79 WeakPolarHBondContact O-CB 3.42Å; F75-L79 PolarHBondContact O-N 2.85Å; F75-L185 HydrophobicContact CD1-CD1 3.7Å; F75-L185 HydrophobicContact CE1-CD1 4.25Å; F75-R188 HydrophobicContact CE1-CB 3.74Å; F75-R188 HydrophobicContact CZ-CB 4.1Å; F75-F189 HydrophobicContact CB-CD2 4.02Å; F75-F189 HydrophobicContact CD1-CB 4Å; F75-F189 AromaticContact CD1-CD2 3.97Å; F75-F189 HydrophobicContact CD1-CD2 3.97Å; F75-F189 AromaticContact CD2-CD2 3.86Å; F75-F189 HydrophobicContact CD2-CD2 3.86Å; F75-F189 HydrophobicContact CD2-CE2 4.47Å; F75-F189 HydrophobicContact CE1-CB 3.87Å; F75-F189 HydrophobicContact CE1-CD2 4.42Å; F75-F189 HydrophobicContact CE2-CD2 4.34Å; F75-F189 AromaticContact CG-CD2 3.69Å; F75-F189 HydrophobicContact CG-CD2 3.69Å; F75-F189 HydrophobicContact CG-CE2 4.49Å; F75-F189 HydrophobicContact CZ-CB 4.31Å; F75-F192 HydrophobicContact CD2-CD1 4.11Å; F75-F192 HydrophobicContact CD2-CE1 4.34Å; F75-F192 HydrophobicContact CE2-CB 3.78Å; F75-F192 AromaticContact CE2-CD1 3.5Å; F75-F192 HydrophobicContact CE2-CD1 3.5Å; F75-F192 VanDerWaalsContact CE2-CD1 3.5Å; F75-F192 HydrophobicContact CE2-CD2 4.1Å; F75-F192 HydrophobicContact CE2-CE1 4.04Å; F75-F192 AromaticContact CE2-CG 3.52Å; F75-F192 HydrophobicContact CE2-CG 3.52Å; F75-F192 HydrophobicContact CZ-CB 3.83Å; F75-F192 HydrophobicContact CZ-CD1 4.37Å; F75-F192 HydrophobicContact CZ-CG 4.1Å
76C98Very high97.3Very high7 Ų723.2 Ų23.25%0.04713%0.132CC..Hα-helixtrans-62.8-38.5177.3-66.20000111.6L72 R73 Q74 N80L72-C76 PolarHBondContact O-N 3.43Å; L72-C76 PolarHBondContact O-SG 2.83Å; R73-C76 PolarHBondContact O-N 3.14Å; Q74-C76 PolarHBondContact O-N 3.26Å; C76-N80 PolarHBondContact O-N 3.25Å; C76-N80 PolarHBondContact O-ND2 3.44Å
77M97.1Very high97.3Very high94 Ų9429 Ų2946%0.46316%0.159SC..Hα-helixtrans-64.2-49.2177.4-174.4-177.270.800111.3R73 Q74 F75 L79 N80R73-M77 WeakPolarHBondContact O-CB 3.27Å; R73-M77 PolarHBondContact O-N 3.3Å; Q74-M77 WeakPolarHBondContact O-CB 3.47Å; Q74-M77 PolarHBondContact O-N 3.33Å; Q74-M77 VanDerWaalsContact O-N 3.16Å; F75-M77 VanDerWaalsContact C-N 3.29Å; F75-M77 PolarHBondContact O-N 3.45Å; M77-L79 PolarHBondContact O-N 3.24Å; M77-N80 WeakPolarHBondContact O-CB 3.43Å; M77-N80 PolarHBondContact O-N 2.76Å
78E98.2Very high97.2Very high37 Ų3736.6 Ų36.617%0.17319%0.194CC..Hα-helixtrans-68.7-33.7179.5-68.6-179.393.500112.7Q74 F75 N80 G81 L185 R188Q74-E78 WeakPolarHBondContact CG-OE2 3.43Å; Q74-E78 VanDerWaalsContact NE2-CD 3.28Å; Q74-E78 PolarHBondContact NE2-OE2 3.46Å; Q74-E78 PolarHBondContact O-N 3.29Å; F75-E78 PolarHBondContact O-N 3.09Å; E78-N80 PolarHBondContact O-N 3.34Å; E78-G81 WeakPolarHBondContact O-CA 3.38Å; E78-G81 PolarHBondContact O-N 2.83Å; E78-L185 HydrophobicContact CB-CD1 3.59Å; E78-L185 HydrophobicContact CB-CD2 3.85Å; E78-L185 HydrophobicContact CB-CG 4.37Å; E78-L185 HydrophobicContact CG-CD1 4.37Å; E78-R188 IonicContact OE1-CZ 3.83Å; E78-R188 IonicContact OE1-NH2 3.51Å; E78-R188 PolarHBondContact OE1-NH2 2.88Å; E78-R188 IonicContact OE2-CZ 3.69Å; E78-R188 IonicContact OE2-NH2 2.73Å; E78-R188 PolarHBondContact OE2-NH2 3.43Å
79L97.9Very high97.1Very high0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-65.9-21.3177.8-172.461.3000113.1F75 M77 G81 L82 A83 L127 V161 I164 F165 L185F75-L79 WeakPolarHBondContact O-CB 3.42Å; F75-L79 PolarHBondContact O-N 2.85Å; M77-L79 PolarHBondContact O-N 3.24Å; L79-G81 PolarHBondContact O-N 3.28Å; L79-L82 HydrophobicContact CD1-CB 4.02Å; L79-L82 HydrophobicContact CD1-CD2 3.75Å; L79-L82 HydrophobicContact CD1-CG 4.41Å; L79-L82 PolarHBondContact O-N 2.84Å; L79-A83 PolarHBondContact O-N 2.94Å; L79-L127 HydrophobicContact CB-CD2 4.1Å; L79-L127 HydrophobicContact CD2-CD2 3.88Å; L79-L127 HydrophobicContact CG-CD2 4.01Å; L79-V161 HydrophobicContact CD2-CB 4.38Å; L79-V161 HydrophobicContact CD2-CG1 3.54Å; L79-V161 HydrophobicContact CD2-CG2 4.46Å; L79-I164 HydrophobicContact CD1-CG2 4.08Å; L79-I164 HydrophobicContact CD2-CB 4.24Å; L79-I164 HydrophobicContact CD2-CD1 3.83Å; L79-I164 HydrophobicContact CD2-CG2 4.35Å; L79-I164 HydrophobicContact CG-CG2 4.39Å; L79-F165 HydrophobicContact CD1-CD1 4.24Å; L79-F165 HydrophobicContact CD1-CE1 3.7Å; L79-F165 HydrophobicContact CD1-CE2 4.38Å; L79-F165 HydrophobicContact CD1-CZ 3.77Å; L79-F165 HydrophobicContact CD2-CE2 4.4Å; L79-F165 HydrophobicContact CD2-CZ 4.43Å; L79-L185 HydrophobicContact CB-CD2 4.17Å; L79-L185 HydrophobicContact CD1-CD2 4.29Å
80N97.5Very high97.2Very high76 Ų7639.9 Ų39.941%0.40621%0.21SC..Hα-helixtrans-60.5-31168.1-76.4-77.2000111.7C76 M77 E78 A83 V84C76-N80 PolarHBondContact O-N 3.25Å; C76-N80 PolarHBondContact O-ND2 3.44Å; M77-N80 WeakPolarHBondContact O-CB 3.43Å; M77-N80 PolarHBondContact O-N 2.76Å; E78-N80 PolarHBondContact O-N 3.34Å; N80-A83 PolarHBondContact O-N 3.32Å; N80-V84 WeakPolarHBondContact O-CG2 3.34Å; N80-V84 PolarHBondContact O-N 3.45Å
81G97.3Very high97.1Very high30 Ų3042 Ų4231%0.30922%0.224SC..Hα-helixtrans-60.9-50.4173.800000111.8E78 L79 A83 V84 C85E78-G81 WeakPolarHBondContact O-CA 3.38Å; E78-G81 PolarHBondContact O-N 2.83Å; L79-G81 PolarHBondContact O-N 3.28Å; G81-A83 VanDerWaalsContact C-N 3.29Å; G81-A83 PolarHBondContact O-N 3.3Å; G81-V84 WeakPolarHBondContact O-CB 3.5Å; G81-V84 PolarHBondContact O-N 3.49Å; G81-V84 VanDerWaalsContact O-N 3.13Å; G81-C85 PolarHBondContact O-N 3.36Å; G81-C85 VanDerWaalsContact O-N 3.09Å; G81-C85 PolarHBondContact O-SG 2.74Å; G81-C85 VanDerWaalsContact O-SG 3.4Å
82L97.8Very high97.1Very high1 Ų145.3 Ų45.31%0.00525%0.245CC..Hα-helixtrans-61.8-39.5175.4-179.460.2000111.5L79 V84 C85 L86 F165 A168 I175 F179L79-L82 HydrophobicContact CD1-CB 4.02Å; L79-L82 HydrophobicContact CD1-CD2 3.75Å; L79-L82 HydrophobicContact CD1-CG 4.41Å; L79-L82 PolarHBondContact O-N 2.84Å; L82-V84 PolarHBondContact O-N 3.07Å; L82-C85 PolarHBondContact O-N 2.8Å; L82-L86 HydrophobicContact CD1-CG 4.33Å; L82-L86 HydrophobicContact CG-CD1 4.18Å; L82-L86 HydrophobicContact CG-CG 4.33Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.06Å; L82-F165 HydrophobicContact CD2-CD1 4.23Å; L82-F165 HydrophobicContact CD2-CE1 4.4Å; L82-A168 HydrophobicContact CD2-CB 3.98Å; L82-I175 HydrophobicContact CD1-CG2 3.98Å; L82-F179 HydrophobicContact CB-CD1 3.97Å; L82-F179 HydrophobicContact CB-CD2 4.27Å; L82-F179 HydrophobicContact CB-CE1 3.87Å; L82-F179 HydrophobicContact CB-CE2 4.17Å; L82-F179 HydrophobicContact CB-CG 4.18Å; L82-F179 HydrophobicContact CB-CZ 3.96Å; L82-F179 HydrophobicContact CD1-CB 3.91Å; L82-F179 HydrophobicContact CD1-CD1 4.13Å; L82-F179 HydrophobicContact CD1-CD2 4.38Å; L82-F179 HydrophobicContact CD1-CG 3.87Å; L82-F179 HydrophobicContact CG-CD1 4.45Å; L82-F179 VanDerWaalsContact N-CE2 3.3Å
83A97.5Very high97Very high13 Ų1354.8 Ų54.811%0.10729%0.286CS..Hα-helixtrans-61-34.3176.800000112.5L79 N80 G81 Q87 T123 L127L79-A83 PolarHBondContact O-N 2.94Å; N80-A83 PolarHBondContact O-N 3.32Å; G81-A83 VanDerWaalsContact C-N 3.29Å; G81-A83 PolarHBondContact O-N 3.3Å; A83-Q87 WeakPolarHBondContact O-CG 3.48Å; A83-Q87 PolarHBondContact O-N 3.04Å; A83-T123 HydrophobicContact CB-CG2 3.7Å; A83-L127 HydrophobicContact CB-CD1 3.65Å
84V97.8Very high96.9Very high90 Ų9057 Ų5755%0.54531%0.305SS..Hα-helixtrans-68.3-47.6172.8170.80000110.7N80 G81 L82 L86 Q87N80-V84 WeakPolarHBondContact O-CG2 3.34Å; N80-V84 PolarHBondContact O-N 3.45Å; G81-V84 WeakPolarHBondContact O-CB 3.5Å; G81-V84 PolarHBondContact O-N 3.49Å; G81-V84 VanDerWaalsContact O-N 3.13Å; L82-V84 PolarHBondContact O-N 3.07Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 2.97Å; V84-Q87 WeakPolarHBondContact O-CB 3.28Å; V84-Q87 PolarHBondContact O-N 2.86Å; V84-Q87 VanDerWaalsContact O-N 3.09Å
85C97.5Very high96.9Very high44 Ų4456.8 Ų56.830%0.29731%0.305SS..Hα-helixtrans-58.5-40.3177.1-600000112.1G81 L82 Q87 E88 I175G81-C85 PolarHBondContact O-N 3.36Å; G81-C85 VanDerWaalsContact O-N 3.09Å; G81-C85 PolarHBondContact O-SG 2.74Å; G81-C85 VanDerWaalsContact O-SG 3.4Å; L82-C85 PolarHBondContact O-N 2.8Å; C85-Q87 VanDerWaalsContact C-N 3.26Å; C85-Q87 PolarHBondContact O-N 3.28Å; C85-E88 PolarHBondContact O-N 3.46Å; C85-I175 HydrophobicContact CB-CG2 3.62Å
86L97.4Very high96.8Very high5 Ų560.3 Ų60.33%0.02633%0.328CS..Hα-helixtrans-62.4-29.3177.9-72.6173.1000113L82 V84 E88 Q89 C90 A168 H172 I175L82-L86 HydrophobicContact CD1-CG 4.33Å; L82-L86 HydrophobicContact CG-CD1 4.18Å; L82-L86 HydrophobicContact CG-CG 4.33Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.3Å; L82-L86 PolarHBondContact O-N 3.06Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 2.97Å; L86-E88 PolarHBondContact O-N 3.46Å; L86-E88 VanDerWaalsContact O-N 3.1Å; L86-Q89 PolarHBondContact O-N 3.34Å; L86-Q89 VanDerWaalsContact O-N 3.15Å; L86-C90 HydrophobicContact CB-CB 4.18Å; L86-C90 WeakPolarHBondContact O-CA 3.29Å; L86-C90 WeakPolarHBondContact O-CB 3.49Å; L86-C90 PolarHBondContact O-N 2.86Å; L86-A168 HydrophobicContact CD1-CB 4.27Å; L86-A168 HydrophobicContact CD2-CB 4.19Å; L86-H172 HydrophobicContact CD2-CB 3.56Å; L86-I175 HydrophobicContact CD2-CG2 4.15Å
87Q94.9Very high96.7Very high124 Ų12463 Ų6358%0.57934%0.34SS*.THydrogen-bonded Turntrans-62.4-19.2-178.8-73.9174.521.100113.5A83 V84 C85 Q89 V120A83-Q87 WeakPolarHBondContact O-CG 3.48Å; A83-Q87 PolarHBondContact O-N 3.04Å; V84-Q87 WeakPolarHBondContact O-CB 3.28Å; V84-Q87 PolarHBondContact O-N 2.86Å; V84-Q87 VanDerWaalsContact O-N 3.09Å; C85-Q87 VanDerWaalsContact C-N 3.26Å; C85-Q87 PolarHBondContact O-N 3.28Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 2.97Å; Q87-V120 HydrophobicContact CG-CG2 4.21Å
88E93Very high96.7Very high158 Ų15858.6 Ų58.674%0.73832%0.318SS*.THydrogen-bonded Turntrans-66.5-31.2177.4-62.5-176177.600112.5C85 L86C85-E88 PolarHBondContact O-N 3.46Å; L86-E88 PolarHBondContact O-N 3.46Å; L86-E88 VanDerWaalsContact O-N 3.1Å
89Q94.6Very high96.6Very high89 Ų8957.9 Ų57.942%0.41632%0.316SS..THydrogen-bonded Turntrans-130.7-27-172-58.9-178.29.500113.9L86 Q87 T91 T94 I175L86-Q89 PolarHBondContact O-N 3.34Å; L86-Q89 VanDerWaalsContact O-N 3.15Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 2.97Å; Q89-T91 PolarHBondContact O-N 3.34Å; Q89-T94 PolarHBondContact O-OG1 2.94Å; Q89-I175 HydrophobicContact CB-CD1 4.11Å; Q89-I175 HydrophobicContact CG-CD1 3.93Å
90C97.2Very high96.1Very high5 Ų558 Ų583%0.03432%0.317CS..  trans-82.8105.2-179.8-167.20000109.8L86 H172L86-C90 HydrophobicContact CB-CB 4.18Å; L86-C90 WeakPolarHBondContact O-CA 3.29Å; L86-C90 WeakPolarHBondContact O-CB 3.49Å; L86-C90 PolarHBondContact O-N 2.86Å; C90-H172 WeakPolarHBondContact CB-NE2 3.35Å
91T96.8Very high95.6Very high51 Ų5155.7 Ų55.731%0.31331%0.306SS..  trans-127.8162-178.370.30000109.8Q89 K93 T94 C95Q89-T91 PolarHBondContact O-N 3.34Å; T91-K93 PolarHBondContact O-N 2.87Å; T91-K93 PolarHBondContact OG1-N 3.29Å; T91-T94 PolarHBondContact N-OG1 3.14Å; T91-T94 PolarHBondContact O-N 3.47Å; T91-T94 VanDerWaalsContact O-N 3.13Å; T91-T94 PolarHBondContact O-OG1 2.85Å; T91-T94 PolarHBondContact OG1-N 3.02Å; T91-T94 VanDerWaalsContact OG1-N 3.16Å; T91-T94 PolarHBondContact OG1-OG1 3.44Å; T91-C95 CarbonylContact O-C 3.02Å; T91-C95 PolarHBondContact O-N 2.82Å
92P97.1Very high94.8Very high71 Ų7162.6 Ų62.646%0.46133%0.33SS..THydrogen-bonded Turntrans-58.4-16.2172.5-26.235.9000115P96 P118 V120P92-P96 VanDerWaalsContact O-CA 3.29Å; P92-P96 WeakPolarHBondContact O-CA 3.42Å; P92-P96 WeakPolarHBondContact O-CB 3.42Å; P92-P118 HydrophobicContact CB-CB 3.95Å; P92-P118 HydrophobicContact CB-CG 3.82Å; P92-P118 HydrophobicContact CG-CB 3.97Å; P92-P118 HydrophobicContact CG-CG 4.09Å; P92-V120 HydrophobicContact CG-CG1 4.38Å
93K95.9Very high93.9Very high199 Ų19967.7 Ų67.787%0.86535%0.354SS*.THydrogen-bonded Turntrans-85.8-42174.9-65.1-176.5-179.7179.80112.2T91T91-K93 PolarHBondContact O-N 2.87Å; T91-K93 PolarHBondContact OG1-N 3.29Å
94T95.8Very high93.4Very high87 Ų8775.8 Ų75.853%0.53438%0.382SS..THydrogen-bonded Turntrans-79.8-37.5-178.947.60000111.7Q89 T91Q89-T94 PolarHBondContact O-OG1 2.94Å; T91-T94 PolarHBondContact N-OG1 3.14Å; T91-T94 PolarHBondContact O-N 3.47Å; T91-T94 VanDerWaalsContact O-N 3.13Å; T91-T94 PolarHBondContact O-OG1 2.85Å; T91-T94 PolarHBondContact OG1-N 3.02Å; T91-T94 VanDerWaalsContact OG1-N 3.16Å; T91-T94 PolarHBondContact OG1-OG1 3.44Å
95C96.9Very high93.1Very high9 Ų974.9 Ų74.96%0.06137%0.373CS..  trans-131.874.2-180-55.30000110.1T91 Q97 P118 A119 H172T91-C95 CarbonylContact O-C 3.02Å; T91-C95 PolarHBondContact O-N 2.82Å; C95-Q97 PolarHBondContact O-N 3.14Å; C95-P118 WeakPolarHBondContact O-CA 3.26Å; C95-A119 HydrophobicContact CB-CB 3.62Å; C95-A119 PolarHBondContact O-N 3.06Å; C95-H172 PolarHBondContact SG-NE2 3.4Å
96P96.4Very high92.9Very high77 Ų7774.7 Ų74.750%0.537%0.367SS..SBendtrans-66.1-19.2-176.827.7-35.9000113.4P92 C117 P118P92-P96 VanDerWaalsContact O-CA 3.29Å; P92-P96 WeakPolarHBondContact O-CA 3.42Å; P92-P96 WeakPolarHBondContact O-CB 3.42Å; P96-C117 CarbonylContact O-C 3.57Å; P96-P118 VanDerWaalsContact O-CA 3.29Å; P96-P118 WeakPolarHBondContact O-CA 3.36Å
97Q96.3Very high92.9Very high64 Ų6478.3 Ų78.330%0.29939%0.386SS..SBendtrans-136.1152.6-179.3-67.3168.1-33.300109.6C95 T99 I105 E116 C117C95-Q97 PolarHBondContact O-N 3.14Å; Q97-T99 HydrophobicContact CB-CG2 4.45Å; Q97-T99 PolarHBondContact O-N 3.33Å; Q97-I105 HydrophobicContact CB-CG2 4.26Å; Q97-E116 PolarHBondContact NE2-OE2 2.88Å; Q97-C117 CarbonylContact C-O 3.5Å; Q97-C117 VanDerWaalsContact CA-O 3.3Å; Q97-C117 WeakPolarHBondContact CA-O 3.31Å
98M97.4Very high93Very high0 Ų072.5 Ų72.50%036%0.359CS..  trans-83.2102.1173.2177.955.481.500110.3F106 C117 A119 Y122 T123 H167M98-F106 HydrophobicContact CB-CB 4.43Å; M98-F106 HydrophobicContact CG-CB 3.95Å; M98-F106 HydrophobicContact CG-CD2 4.01Å; M98-F106 HydrophobicContact CG-CG 4.5Å; M98-F106 WeakPolarHBondContact O-CB 3.19Å; M98-F106 PolarHBondContact O-N 3.13Å; M98-C117 PolarHBondContact N-O 3.16Å; M98-C117 VanDerWaalsContact N-O 3.16Å; M98-A119 HydrophobicContact CE-CB 3.81Å; M98-A119 WeakPolarHBondContact CE-O 3.46Å; M98-A119 HydrophobicContact SD-CB 4.16Å; M98-Y122 HydrophobicContact CB-CD1 4.16Å; M98-Y122 HydrophobicContact CB-CD2 3.65Å; M98-Y122 HydrophobicContact CB-CE2 4.32Å; M98-Y122 HydrophobicContact CB-CG 3.59Å; M98-Y122 HydrophobicContact CE-CD1 3.44Å; M98-Y122 VanDerWaalsContact CE-CD1 3.44Å; M98-Y122 HydrophobicContact CE-CE1 4.28Å; M98-Y122 HydrophobicContact CE-CG 3.9Å; M98-Y122 HydrophobicContact CG-CD1 3.55Å; M98-Y122 HydrophobicContact CG-CD2 3.76Å; M98-Y122 HydrophobicContact CG-CE1 3.88Å; M98-Y122 HydrophobicContact CG-CE2 4.07Å; M98-Y122 HydrophobicContact CG-CG 3.52Å; M98-Y122 HydrophobicContact SD-CD1 4.2Å; M98-T123 VanDerWaalsContact CE-OG1 3.29Å; M98-T123 WeakPolarHBondContact CE-OG1 3.32Å; M98-H167 HydrophobicContact CE-CB 4.25Å; M98-H167 HydrophobicContact SD-CB 3.49Å; M98-H167 WeakPolarHBondContact SD-CB 3.48Å; M98-H167 VanDerWaalsContact SD-CG 3.55Å
99T95.7Very high93Very high23 Ų2367 Ų6714%0.14134%0.341CS..BIsolated β-bridgetrans-127.2159.6177.852.30000110.3Q97 I105 H167 H171Q97-T99 HydrophobicContact CB-CG2 4.45Å; Q97-T99 PolarHBondContact O-N 3.33Å; T99-I105 HydrophobicContact CG2-CB 4.42Å; T99-I105 HydrophobicContact CG2-CG1 3.9Å; T99-H167 WeakPolarHBondContact O-CB 3.49Å; T99-H167 PolarHBondContact O-ND1 2.96Å; T99-H171 PolarHBondContact O-CD2 3.4Å; T99-H171 VanDerWaalsContact O-CD2 3.29Å; T99-H171 PolarHBondContact O-NE2 2.99Å; T99-H171 PolarHBondContact OG1-CE1 3.24Å; T99-H171 PolarHBondContact OG1-NE2 3.39Å
100A88.3Confident93Very high3 Ų365.9 Ų65.93%0.02535%0.347CS..SBendtrans-117.2-45.8166.200000110.6F106 S166 Y170 I205A100-F106 HydrophobicContact CB-CE2 3.83Å; A100-F106 HydrophobicContact CB-CZ 4.28Å; A100-S166 VanDerWaalsContact CB-CB 3.47Å; A100-Y170 HydrophobicContact CB-CD2 4.1Å; A100-Y170 WeakPolarHBondContact O-CB 3.48Å; A100-Y170 WeakPolarHBondContact O-CD2 3.35Å; A100-I205 HydrophobicContact CB-CD1 3.79Å
101T86.5Confident92.9Very high27 Ų2768 Ų6817%0.16636%0.356CS..SBendtrans-117167.1168.664.20000109.2Q103 Y170 I205 A219T101-Q103 PolarHBondContact O-N 3.28Å; T101-Q103 VanDerWaalsContact O-N 3.14Å; T101-Y170 HydrophobicContact CG2-CE2 4.43Å; T101-I205 HydrophobicContact CG2-CD1 4.31Å; T101-A219 HydrophobicContact CG2-CB 4.27Å
102E79.2Confident92.7Very high174 Ų17475.9 Ų75.981%0.81339%0.386SS*.THydrogen-bonded Turntrans-68.9-8.9-179.4-60.2-170.6175.200113.5
103Q80.5Confident92.6Very high109 Ų10977.5 Ų77.551%0.50940%0.395SS..THydrogen-bonded Turntrans-83.5-32.6-173.3-63.2-179.9-5.200113.7T101 Q220T101-Q103 PolarHBondContact O-N 3.28Å; T101-Q103 VanDerWaalsContact O-N 3.14Å; Q103-Q220 PolarHBondContact NE2-O 2.97Å; Q103-Q220 VanDerWaalsContact NE2-O 3.11Å
104W86Confident92.5Very high183 Ų18371.5 Ų71.569%0.69338%0.376SS*.  trans-138.3132.2-168.9-59.1102.2000112.9
105I91.5Very high92.5Very high70 Ų7072.7 Ų72.736%0.35937%0.374SS..BIsolated β-bridgetrans-97.3130.3173.6-57.3166000109.6Q97 T99 L107 E116Q97-I105 HydrophobicContact CB-CG2 4.26Å; T99-I105 HydrophobicContact CG2-CB 4.42Å; T99-I105 HydrophobicContact CG2-CG1 3.9Å; I105-L107 PolarHBondContact O-N 3.34Å; I105-E116 HydrophobicContact CG2-CG 4.12Å
106F94.6Very high92.5Very high40 Ų4077 Ų7718%0.17539%0.393CS..  trans-86110.6174-59.1-52000111.1M98 A100 Y122 R163M98-F106 HydrophobicContact CB-CB 4.43Å; M98-F106 HydrophobicContact CG-CB 3.95Å; M98-F106 HydrophobicContact CG-CD2 4.01Å; M98-F106 HydrophobicContact CG-CG 4.5Å; M98-F106 WeakPolarHBondContact O-CB 3.19Å; M98-F106 PolarHBondContact O-N 3.13Å; A100-F106 HydrophobicContact CB-CE2 3.83Å; A100-F106 HydrophobicContact CB-CZ 4.28Å; F106-Y122 HydrophobicContact CB-CE2 4.08Å; F106-Y122 WeakPolarHBondContact O-CE2 3.25Å; F106-R163 HydrophobicContact CD1-CG 4.01Å; F106-R163 HydrophobicContact CD2-CB 3.83Å; F106-R163 HydrophobicContact CD2-CG 3.75Å; F106-R163 HydrophobicContact CE1-CG 4.01Å; F106-R163 HydrophobicContact CE2-CB 3.92Å; F106-R163 HydrophobicContact CE2-CG 3.74Å; F106-R163 HydrophobicContact CG-CB 4.35Å; F106-R163 HydrophobicContact CG-CG 3.88Å; F106-R163 HydrophobicContact CZ-CG 3.88Å
107L95.9Very high92.6Very high82 Ų8273.6 Ų73.643%0.42937%0.371SS..  trans-71.6135.6174.8-57.2-178.6000111.8I105 P114 E116I105-L107 PolarHBondContact O-N 3.34Å; L107-P114 HydrophobicContact CB-CB 3.97Å; L107-P114 HydrophobicContact CD1-CB 4.4Å; L107-E116 HydrophobicContact CD2-CG 3.81Å
108C96.8Very high92.6Very high1 Ų171.9 Ų71.91%0.00737%0.366CS..BIsolated β-bridgetrans-80.8119.7-179.7-169.90000111.3A110 P114 K115 C117 Y122C108-A110 VanDerWaalsContact C-N 3.33Å; C108-A110 PolarHBondContact O-N 3Å; C108-P114 WeakPolarHBondContact O-CA 3.39Å; C108-K115 WeakPolarHBondContact CB-O 3.31Å; C108-K115 PolarHBondContact N-O 3.42Å; C108-K115 PolarHBondContact O-N 2.88Å; C108-C117 HydrophobicContact CB-CB 4.15Å; C108-C117 WeakPolarHBondContact CB-SG 3.43Å; C108-Y122 HydrophobicContact CB-CD2 3.66Å; C108-Y122 HydrophobicContact CB-CE2 4.07Å
109A94.5Very high92.6Very high44 Ų4471.9 Ų71.936%0.36437%0.366SS..THydrogen-bonded Turntrans-86.43.9-178.600000114.5H111A109-H111 PolarHBondContact O-N 3.39Å
110A94.1Very high92.7Very high64 Ų6472.2 Ų72.253%0.52937%0.368SS..THydrogen-bonded Turntrans-74.7-12.3175.700000112.8C108 H125C108-A110 VanDerWaalsContact C-N 3.33Å; C108-A110 PolarHBondContact O-N 3Å; A110-H125 HydrophobicContact CB-CB 3.73Å
111H94.4Very high93.2Very high51 Ų5175 Ų7524%0.23638%0.382CS..SBendtrans-95.7154.4177.9-54.1-61.3000111.2A109 T113 K115 C117 H125A109-H111 PolarHBondContact O-N 3.39Å; H111-T113 WeakPolarHBondContact CB-O 3.28Å; H111-T113 PolarHBondContact O-N 3.4Å; H111-K115 HydrophobicContact CB-CD 4.47Å; H111-K115 HydrophobicContact CB-CG 4.07Å; H111-K115 WeakPolarHBondContact CD2-CE 3.31Å; H111-K115 WeakPolarHBondContact CD2-CG 3.18Å; H111-K115 VanDerWaalsContact CE1-CE 3.43Å; H111-K115 WeakPolarHBondContact CE1-CE 3.25Å; H111-K115 VanDerWaalsContact CG-CE 3.43Å; H111-K115 VanDerWaalsContact NE2-CE 3.28Å; H111-K115 WeakPolarHBondContact NE2-CE 3.42Å; H111-C117 PolarHBondContact NE2-SG 3.32Å; H111-H125 AromaticContact CE1-CE1 3.78Å; H111-H125 AromaticContact NE2-CE1 3.91Å; H111-H125 AromaticContact NE2-ND1 3.85Å
112K92.3Very high93.7Very high215 Ų21573.9 Ų73.994%0.93538%0.375SS*.SBendtrans-52.2-42.9178.4-175.9179.8179.1-176.90112.1
113T94.7Very high94.6Very high106 Ų10665.9 Ų65.965%0.6534%0.338SS*.SBendtrans-114.1127.3168.1-56.50000107.2H111 K115H111-T113 WeakPolarHBondContact CB-O 3.28Å; H111-T113 PolarHBondContact O-N 3.4Å; T113-K115 PolarHBondContact O-N 3.09Å
114P95.7Very high95.4Very high72 Ų7268 Ų6847%0.46834%0.341SS..  trans-52.4130.6176.9-26.934.9000111.1L107 C108L107-P114 HydrophobicContact CB-CB 3.97Å; L107-P114 HydrophobicContact CD1-CB 4.4Å; C108-P114 WeakPolarHBondContact O-CA 3.39Å
115K95.6Very high96Very high112 Ų11261.6 Ų61.649%0.48732%0.319SS..BIsolated β-bridgetrans-143.8168.6-178.166.6166.6-170171.10111.1C108 H111 T113C108-K115 WeakPolarHBondContact CB-O 3.31Å; C108-K115 PolarHBondContact N-O 3.42Å; C108-K115 PolarHBondContact O-N 2.88Å; H111-K115 HydrophobicContact CB-CD 4.47Å; H111-K115 HydrophobicContact CB-CG 4.07Å; H111-K115 WeakPolarHBondContact CD2-CE 3.31Å; H111-K115 WeakPolarHBondContact CD2-CG 3.18Å; H111-K115 VanDerWaalsContact CE1-CE 3.43Å; H111-K115 WeakPolarHBondContact CE1-CE 3.25Å; H111-K115 VanDerWaalsContact CG-CE 3.43Å; H111-K115 VanDerWaalsContact NE2-CE 3.28Å; H111-K115 WeakPolarHBondContact NE2-CE 3.42Å; T113-K115 PolarHBondContact O-N 3.09Å
116E96.8Very high96.3Very high99 Ų9958.9 Ų58.946%0.46331%0.306SS..  trans-69.2144174.3-61.2170.1-161.500111.2Q97 I105 L107Q97-E116 PolarHBondContact NE2-OE2 2.88Å; I105-E116 HydrophobicContact CG2-CG 4.12Å; L107-E116 HydrophobicContact CD2-CG 3.81Å
117C97.4Very high96.5Very high6 Ų657.2 Ų57.24%0.04130%0.298CS..  trans-137.7149.3172.3-70.70000109P96 Q97 M98 C108 H111 D121P96-C117 CarbonylContact O-C 3.57Å; Q97-C117 CarbonylContact C-O 3.5Å; Q97-C117 VanDerWaalsContact CA-O 3.3Å; Q97-C117 WeakPolarHBondContact CA-O 3.31Å; M98-C117 PolarHBondContact N-O 3.16Å; M98-C117 VanDerWaalsContact N-O 3.16Å; C108-C117 HydrophobicContact CB-CB 4.15Å; C108-C117 WeakPolarHBondContact CB-SG 3.43Å; H111-C117 PolarHBondContact NE2-SG 3.32Å; C117-D121 HydrophobicContact CB-CB 4.29Å
118P97.5Very high96.5Very high29 Ų2956.8 Ų56.819%0.18830%0.297CS..  trans-45.7143158.6-29.938.7000111.4P92 C95 P96 V120 D121 Y122P92-P118 HydrophobicContact CB-CB 3.95Å; P92-P118 HydrophobicContact CB-CG 3.82Å; P92-P118 HydrophobicContact CG-CB 3.97Å; P92-P118 HydrophobicContact CG-CG 4.09Å; C95-P118 WeakPolarHBondContact O-CA 3.26Å; P96-P118 VanDerWaalsContact O-CA 3.29Å; P96-P118 WeakPolarHBondContact O-CA 3.36Å; P118-V120 VanDerWaalsContact C-N 3.27Å; P118-V120 HydrophobicContact CB-CG1 4.33Å; P118-V120 PolarHBondContact O-N 2.68Å; P118-D121 HydrophobicContact CB-CB 4.29Å; P118-D121 WeakPolarHBondContact CG-OD2 3.36Å; P118-D121 PolarHBondContact O-N 3.43Å; P118-Y122 PolarHBondContact O-N 3.26Å
119A97.7Very high96.5Very high0 Ų058.6 Ų58.60%032%0.315CS..Hα-helixtrans-60.5-38.3-174.300000112.3C95 M98 D121 Y122 T123 H167C95-A119 HydrophobicContact CB-CB 3.62Å; C95-A119 PolarHBondContact O-N 3.06Å; M98-A119 HydrophobicContact CE-CB 3.81Å; M98-A119 WeakPolarHBondContact CE-O 3.46Å; M98-A119 HydrophobicContact SD-CB 4.16Å; A119-D121 PolarHBondContact O-N 2.92Å; A119-Y122 PolarHBondContact O-N 3.15Å; A119-T123 WeakPolarHBondContact O-CB 3.22Å; A119-T123 PolarHBondContact O-N 2.87Å; A119-T123 PolarHBondContact O-OG1 3.17Å; A119-H167 WeakPolarHBondContact CB-CE1 3.2Å; A119-H167 VanDerWaalsContact CB-NE2 3.31Å; A119-H167 WeakPolarHBondContact CB-NE2 3.25Å
120V97.4Very high96.6Very high30 Ų3056.8 Ų56.818%0.18230%0.3CS..Hα-helixtrans-61.1-42.9174.8650000112.5Q87 P92 P118 T123 R124Q87-V120 HydrophobicContact CG-CG2 4.21Å; P92-V120 HydrophobicContact CG-CG1 4.38Å; P118-V120 VanDerWaalsContact C-N 3.27Å; P118-V120 HydrophobicContact CB-CG1 4.33Å; P118-V120 PolarHBondContact O-N 2.68Å; V120-T123 PolarHBondContact O-N 2.68Å; V120-R124 PolarHBondContact O-N 3.11Å
121D97.6Very high96.7Very high61 Ų6155.8 Ų55.833%0.32629%0.292SS..Hα-helixtrans-68.8-42177.6-69-29.5000111.1C117 P118 A119 T123 R124 H125C117-D121 HydrophobicContact CB-CB 4.29Å; P118-D121 HydrophobicContact CB-CB 4.29Å; P118-D121 WeakPolarHBondContact CG-OD2 3.36Å; P118-D121 PolarHBondContact O-N 3.43Å; A119-D121 PolarHBondContact O-N 2.92Å; D121-T123 VanDerWaalsContact C-N 3.33Å; D121-T123 PolarHBondContact O-N 2.9Å; D121-R124 PolarHBondContact O-N 3.35Å; D121-H125 WeakPolarHBondContact O-CB 3.48Å; D121-H125 PolarHBondContact O-N 3.41Å; D121-H125 PolarHBondContact O-ND1 3.11Å
122Y98.3Very high96.8Very high3 Ų357.9 Ų57.91%0.01231%0.311CS..Hα-helixtrans-59.9-45.2175.6-179.7-70.9000111.1M98 F106 C108 P118 A119 H125 T126 R163M98-Y122 HydrophobicContact CB-CD1 4.16Å; M98-Y122 HydrophobicContact CB-CD2 3.65Å; M98-Y122 HydrophobicContact CB-CE2 4.32Å; M98-Y122 HydrophobicContact CB-CG 3.59Å; M98-Y122 HydrophobicContact CE-CD1 3.44Å; M98-Y122 VanDerWaalsContact CE-CD1 3.44Å; M98-Y122 HydrophobicContact CE-CE1 4.28Å; M98-Y122 HydrophobicContact CE-CG 3.9Å; M98-Y122 HydrophobicContact CG-CD1 3.55Å; M98-Y122 HydrophobicContact CG-CD2 3.76Å; M98-Y122 HydrophobicContact CG-CE1 3.88Å; M98-Y122 HydrophobicContact CG-CE2 4.07Å; M98-Y122 HydrophobicContact CG-CG 3.52Å; M98-Y122 HydrophobicContact SD-CD1 4.2Å; F106-Y122 HydrophobicContact CB-CE2 4.08Å; F106-Y122 WeakPolarHBondContact O-CE2 3.25Å; C108-Y122 HydrophobicContact CB-CD2 3.66Å; C108-Y122 HydrophobicContact CB-CE2 4.07Å; P118-Y122 PolarHBondContact O-N 3.26Å; A119-Y122 PolarHBondContact O-N 3.15Å; Y122-H125 PolarHBondContact O-N 3.4Å; Y122-T126 WeakPolarHBondContact CD1-OG1 3.48Å; Y122-T126 WeakPolarHBondContact CE1-OG1 3.15Å; Y122-T126 VanDerWaalsContact O-CB 3.27Å; Y122-T126 WeakPolarHBondContact O-CB 3.39Å; Y122-T126 PolarHBondContact O-N 2.8Å; Y122-T126 PolarHBondContact O-OG1 3.07Å; Y122-R163 WeakPolarHBondContact OH-CD 3.39Å; Y122-R163 PolarHBondContact OH-NH1 2.87Å
123T97.9Very high96.9Very high6 Ų649.5 Ų49.54%0.03728%0.276CS..Hα-helixtrans-58.9-50.4178.7-67.80000110.1A83 M98 A119 V120 D121 T126 L127 I164A83-T123 HydrophobicContact CB-CG2 3.7Å; M98-T123 VanDerWaalsContact CE-OG1 3.29Å; M98-T123 WeakPolarHBondContact CE-OG1 3.32Å; A119-T123 WeakPolarHBondContact O-CB 3.22Å; A119-T123 PolarHBondContact O-N 2.87Å; A119-T123 PolarHBondContact O-OG1 3.17Å; V120-T123 PolarHBondContact O-N 2.68Å; D121-T123 VanDerWaalsContact C-N 3.33Å; D121-T123 PolarHBondContact O-N 2.9Å; T123-T126 PolarHBondContact O-N 3.37Å; T123-L127 HydrophobicContact CG2-CD1 4.05Å; T123-L127 WeakPolarHBondContact O-CG 3.46Å; T123-L127 PolarHBondContact O-N 3.45Å; T123-I164 HydrophobicContact CG2-CD1 4.1Å; T123-I164 HydrophobicContact CG2-CG1 4.32Å; T123-I164 HydrophobicContact CG2-CG2 3.93Å
124R97.6Very high96.9Very high154 Ų15444.6 Ų44.658%0.58125%0.246SC*.Hα-helixtrans-57.1-53.6175.4179.4177.3173.7-122-4.1111.9V120 D121 T126 L127 D128V120-R124 PolarHBondContact O-N 3.11Å; D121-R124 PolarHBondContact O-N 3.35Å; R124-T126 PolarHBondContact O-N 3.42Å; R124-L127 PolarHBondContact O-N 3.06Å; R124-D128 WeakPolarHBondContact CG-OD2 3.01Å; R124-D128 IonicContact NE-OD2 2.68Å; R124-D128 WeakPolarHBondContact O-CB 3.45Å; R124-D128 VanDerWaalsContact O-CG 3.28Å; R124-D128 PolarHBondContact O-N 2.99Å
125H97.9Very high96.9Very high48 Ų4845.8 Ų45.822%0.22225%0.249CC..Hα-helixtrans-58.2-36.3179.5-69.7158.1000113A110 H111 D121 Y122 G129A110-H125 HydrophobicContact CB-CB 3.73Å; H111-H125 AromaticContact CE1-CE1 3.78Å; H111-H125 AromaticContact NE2-CE1 3.91Å; H111-H125 AromaticContact NE2-ND1 3.85Å; D121-H125 WeakPolarHBondContact O-CB 3.48Å; D121-H125 PolarHBondContact O-N 3.41Å; D121-H125 PolarHBondContact O-ND1 3.11Å; Y122-H125 PolarHBondContact O-N 3.4Å; H125-G129 PolarHBondContact O-N 2.84Å
126T97.8Very high96.8Very high14 Ų1441.9 Ų41.99%0.08624%0.236CC..Hα-helixtrans-70.8-45.6179.2-64.90000111.4Y122 T123 R124 G129 A130 R160 I164Y122-T126 WeakPolarHBondContact CD1-OG1 3.48Å; Y122-T126 WeakPolarHBondContact CE1-OG1 3.15Å; Y122-T126 VanDerWaalsContact O-CB 3.27Å; Y122-T126 WeakPolarHBondContact O-CB 3.39Å; Y122-T126 PolarHBondContact O-N 2.8Å; Y122-T126 PolarHBondContact O-OG1 3.07Å; T123-T126 PolarHBondContact O-N 3.37Å; R124-T126 PolarHBondContact O-N 3.42Å; T126-G129 PolarHBondContact O-N 2.87Å; T126-A130 VanDerWaalsContact O-CB 3.3Å; T126-A130 WeakPolarHBondContact O-CB 3.49Å; T126-A130 PolarHBondContact O-N 2.73Å; T126-R160 HydrophobicContact CG2-CB 3.79Å; T126-I164 HydrophobicContact CG2-CD1 3.89Å
127L97.9Very high96.5Very high5 Ų541.8 Ų41.83%0.02625%0.246CC..Hα-helixtrans-67.4-44.5178.1-71.7174000111.8L79 A83 T123 R124 G129 A130 A131 I164L79-L127 HydrophobicContact CB-CD2 4.1Å; L79-L127 HydrophobicContact CD2-CD2 3.88Å; L79-L127 HydrophobicContact CG-CD2 4.01Å; A83-L127 HydrophobicContact CB-CD1 3.65Å; T123-L127 HydrophobicContact CG2-CD1 4.05Å; T123-L127 WeakPolarHBondContact O-CG 3.46Å; T123-L127 PolarHBondContact O-N 3.45Å; R124-L127 PolarHBondContact O-N 3.06Å; L127-G129 VanDerWaalsContact C-N 3.34Å; L127-G129 PolarHBondContact O-N 3.12Å; L127-A130 PolarHBondContact O-N 2.61Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.4Å; L127-I164 HydrophobicContact CD2-CD1 4.31Å; L127-I164 HydrophobicContact CG-CD1 4.1Å
128D97.3Very high96.2Very high73 Ų7349.1 Ų49.139%0.3928%0.277SS..Hα-helixtrans-59.6-46.8174.5-71.9-14.9000110.4R124 A130 A131 C132R124-D128 WeakPolarHBondContact CG-OD2 3.01Å; R124-D128 IonicContact NE-OD2 2.68Å; R124-D128 WeakPolarHBondContact O-CB 3.45Å; R124-D128 VanDerWaalsContact O-CG 3.28Å; R124-D128 PolarHBondContact O-N 2.99Å; D128-A130 PolarHBondContact O-N 3.14Å; D128-A131 PolarHBondContact O-N 3.15Å; D128-C132 WeakPolarHBondContact O-CB 3.13Å; D128-C132 PolarHBondContact O-N 3.44Å; D128-C132 PolarHBondContact O-SG 3.28Å; D128-C132 VanDerWaalsContact O-SG 3.34Å
129G96.5Very high95.8Very high39 Ų3950.7 Ų50.740%0.40228%0.28SS..Hα-helixtrans-62.6-41177.500000113.2H125 T126 L127 L133H125-G129 PolarHBondContact O-N 2.84Å; T126-G129 PolarHBondContact O-N 2.87Å; L127-G129 VanDerWaalsContact C-N 3.34Å; L127-G129 PolarHBondContact O-N 3.12Å; G129-L133 VanDerWaalsContact O-CB 3.25Å; G129-L133 WeakPolarHBondContact O-CB 3.46Å; G129-L133 PolarHBondContact O-N 2.7Å
130A96.9Very high95.5Very high5 Ų551.1 Ų51.14%0.04128%0.282CS..Hα-helixtrans-65-46.1175.400000111.1T126 L127 D128 L133 L134 V157T126-A130 VanDerWaalsContact O-CB 3.3Å; T126-A130 WeakPolarHBondContact O-CB 3.49Å; T126-A130 PolarHBondContact O-N 2.73Å; L127-A130 PolarHBondContact O-N 2.61Å; D128-A130 PolarHBondContact O-N 3.14Å; A130-L133 PolarHBondContact O-N 2.8Å; A130-L134 WeakPolarHBondContact O-CB 3.27Å; A130-L134 VanDerWaalsContact O-CG 3.26Å; A130-L134 WeakPolarHBondContact O-CG 3.47Å; A130-L134 PolarHBondContact O-N 3.04Å; A130-V157 HydrophobicContact CB-CG1 3.81Å
131A95.8Very high95.1Very high43 Ų4353.7 Ų53.736%0.35530%0.299SS..Hα-helixtrans-60.7-47.1176.700000111.6L127 D128 L133 N135L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 3.4Å; D128-A131 PolarHBondContact O-N 3.15Å; A131-L133 VanDerWaalsContact C-N 3.34Å; A131-L133 PolarHBondContact O-N 3.11Å; A131-N135 VanDerWaalsContact O-CB 3.29Å; A131-N135 WeakPolarHBondContact O-CB 3.36Å; A131-N135 PolarHBondContact O-N 3.02Å; A131-N135 PolarHBondContact O-ND2 3.03Å
132C95.9Very high94.9Very high95 Ų9552.7 Ų52.764%0.64230%0.297SS*.Hα-helixtrans-60.4-42.9176-73.90000112.1D128 S136D128-C132 WeakPolarHBondContact O-CB 3.13Å; D128-C132 PolarHBondContact O-N 3.44Å; D128-C132 PolarHBondContact O-SG 3.28Å; D128-C132 VanDerWaalsContact O-SG 3.34Å; C132-S136 WeakPolarHBondContact O-CB 3.43Å; C132-S136 PolarHBondContact O-N 3.16Å; C132-S136 VanDerWaalsContact O-N 3.15Å
133L95.2Very high94.5Very high39 Ų3955.1 Ų55.120%0.20431%0.306CS..Hα-helixtrans-67.4-50-179.2177.357.9000111.8G129 A130 A131 N135 S136 Y139 F140 R153 V157G129-L133 VanDerWaalsContact O-CB 3.25Å; G129-L133 WeakPolarHBondContact O-CB 3.46Å; G129-L133 PolarHBondContact O-N 2.7Å; A130-L133 PolarHBondContact O-N 2.8Å; A131-L133 VanDerWaalsContact C-N 3.34Å; A131-L133 PolarHBondContact O-N 3.11Å; L133-N135 VanDerWaalsContact C-N 3.28Å; L133-N135 PolarHBondContact O-N 3.08Å; L133-S136 VanDerWaalsContact O-CB 3.29Å; L133-S136 WeakPolarHBondContact O-CB 3.46Å; L133-S136 PolarHBondContact O-N 3.42Å; L133-S136 VanDerWaalsContact O-N 3.14Å; L133-Y139 HydrophobicContact CD1-CD2 3.57Å; L133-Y139 HydrophobicContact CD1-CE2 4.04Å; L133-Y139 HydrophobicContact CD1-CG 4.21Å; L133-F140 HydrophobicContact CD1-CE2 4.45Å; L133-F140 HydrophobicContact CG-CE2 4.37Å; L133-F140 VanDerWaalsContact O-CD2 3.28Å; L133-F140 WeakPolarHBondContact O-CD2 3.45Å; L133-R153 HydrophobicContact CD2-CB 4.38Å; L133-V157 HydrophobicContact CD2-CG2 3.58Å
134L95.2Very high94.2Very high3 Ų359.1 Ų59.12%0.01633%0.33CS..Hα-helixtrans-69.7-26.1-176.5-65.7169.9000112.2Y69 L72 R73 A130 F140 L154Y69-L134 HydrophobicContact CD2-CD2 3.9Å; Y69-L134 HydrophobicContact CE2-CB 4.21Å; Y69-L134 HydrophobicContact CE2-CD2 3.89Å; Y69-L134 WeakPolarHBondContact CE2-O 3.33Å; Y69-L134 PolarHBondContact OH-O 3.29Å; L72-L134 HydrophobicContact CD2-CD2 4.34Å; L72-L134 HydrophobicContact CG-CD1 4.19Å; R73-L134 HydrophobicContact CG-CB 3.99Å; R73-L134 HydrophobicContact CG-CD1 3.98Å; R73-L134 HydrophobicContact CG-CG 4.41Å; R73-L134 PolarHBondContact NH1-O 3.37Å; A130-L134 WeakPolarHBondContact O-CB 3.27Å; A130-L134 VanDerWaalsContact O-CG 3.26Å; A130-L134 WeakPolarHBondContact O-CG 3.47Å; A130-L134 PolarHBondContact O-N 3.04Å; L134-F140 HydrophobicContact CD2-CE2 4.26Å; L134-F140 HydrophobicContact CD2-CZ 4.33Å; L134-L154 HydrophobicContact CD2-CD2 3.94Å
135N94Very high93.9Very high97 Ų9755.6 Ų55.652%0.51933%0.329SS..THydrogen-bonded Turntrans-92.22.3173.3-68.2-68.4000113.9R73 A131 L133 S137R73-N135 PolarHBondContact NH1-OD1 3.31Å; R73-N135 PolarHBondContact NH2-OD1 2.96Å; A131-N135 VanDerWaalsContact O-CB 3.29Å; A131-N135 WeakPolarHBondContact O-CB 3.36Å; A131-N135 PolarHBondContact O-N 3.02Å; A131-N135 PolarHBondContact O-ND2 3.03Å; L133-N135 VanDerWaalsContact C-N 3.28Å; L133-N135 PolarHBondContact O-N 3.08Å; N135-S137 PolarHBondContact O-N 3.43Å
136S93.6Very high93.5Very high31 Ų3153.9 Ų53.922%0.21732%0.321CS..  trans-75.8116-177.3-173.70000111.5C132 L133 K138 Y139 F140C132-S136 WeakPolarHBondContact O-CB 3.43Å; C132-S136 PolarHBondContact O-N 3.16Å; C132-S136 VanDerWaalsContact O-N 3.15Å; L133-S136 VanDerWaalsContact O-CB 3.29Å; L133-S136 WeakPolarHBondContact O-CB 3.46Å; L133-S136 PolarHBondContact O-N 3.42Å; L133-S136 VanDerWaalsContact O-N 3.14Å; S136-K138 PolarHBondContact O-N 3.5Å; S136-K138 VanDerWaalsContact O-N 3.11Å; S136-K138 PolarHBondContact OG-N 3.34Å; S136-Y139 PolarHBondContact O-N 3.47Å; S136-Y139 VanDerWaalsContact O-N 3.07Å; S136-F140 CarbonylContact O-C 3.52Å; S136-F140 PolarHBondContact O-N 2.82Å
137S91.6Very high93Very high97 Ų9759.8 Ų59.868%0.67835%0.346SS*.THydrogen-bonded Turntrans-60.4-20.1172.758.60000113.6N135 P141N135-S137 PolarHBondContact O-N 3.43Å; S137-P141 WeakPolarHBondContact O-CA 3.15Å; S137-P141 WeakPolarHBondContact O-CB 3.3Å
138K90.7Very high92.3Very high159 Ų15965.1 Ų65.169%0.69138%0.378SS*.THydrogen-bonded Turntrans-66.2-38.5174.1-178.8178.1178.2178.70112.4S136S136-K138 PolarHBondContact O-N 3.5Å; S136-K138 VanDerWaalsContact O-N 3.11Å; S136-K138 PolarHBondContact OG-N 3.34Å
139Y88.8Confident91.7Very high63 Ų6366.8 Ų66.825%0.24739%0.391CS..THydrogen-bonded Turntrans-106.9-31.7-173.9-59-61.2000112.6L133 S136 S150 R153L133-Y139 HydrophobicContact CD1-CD2 3.57Å; L133-Y139 HydrophobicContact CD1-CE2 4.04Å; L133-Y139 HydrophobicContact CD1-CG 4.21Å; S136-Y139 PolarHBondContact O-N 3.47Å; S136-Y139 VanDerWaalsContact O-N 3.07Å; Y139-S150 PolarHBondContact O-OG 2.99Å; Y139-R153 VanDerWaalsContact CD1-CZ 3.42Å; Y139-R153 VanDerWaalsContact CD1-NE 3.31Å
140F92.4Very high91.2Very high9 Ų965.2 Ų65.24%0.03937%0.374CS..  trans-128.571.7178.6-56.4-81.2000108.7Y69 L133 L134 S136 S142 I146 L154Y69-F140 AromaticContact CD2-CD1 3.58Å; Y69-F140 HydrophobicContact CD2-CD1 3.58Å; Y69-F140 AromaticContact CD2-CE1 3.61Å; Y69-F140 HydrophobicContact CD2-CE1 3.61Å; Y69-F140 HydrophobicContact CD2-CG 4.13Å; Y69-F140 HydrophobicContact CD2-CZ 4.17Å; Y69-F140 HydrophobicContact CE2-CB 3.97Å; Y69-F140 AromaticContact CE2-CD1 3.46Å; Y69-F140 HydrophobicContact CE2-CD1 3.46Å; Y69-F140 VanDerWaalsContact CE2-CD1 3.46Å; Y69-F140 AromaticContact CE2-CD2 3.96Å; Y69-F140 HydrophobicContact CE2-CD2 3.96Å; Y69-F140 AromaticContact CE2-CE1 3.87Å; Y69-F140 HydrophobicContact CE2-CE1 3.87Å; Y69-F140 HydrophobicContact CE2-CE2 4.33Å; Y69-F140 AromaticContact CE2-CG 3.51Å; Y69-F140 HydrophobicContact CE2-CG 3.51Å; Y69-F140 HydrophobicContact CE2-CZ 4.28Å; Y69-F140 HydrophobicContact CG-CD1 4.37Å; Y69-F140 HydrophobicContact CG-CE1 4.5Å; L133-F140 HydrophobicContact CD1-CE2 4.45Å; L133-F140 HydrophobicContact CG-CE2 4.37Å; L133-F140 VanDerWaalsContact O-CD2 3.28Å; L133-F140 WeakPolarHBondContact O-CD2 3.45Å; L134-F140 HydrophobicContact CD2-CE2 4.26Å; L134-F140 HydrophobicContact CD2-CZ 4.33Å; S136-F140 CarbonylContact O-C 3.52Å; S136-F140 PolarHBondContact O-N 2.82Å; F140-S142 PolarHBondContact O-N 2.93Å; F140-I146 HydrophobicContact CD1-CD1 4.15Å; F140-I146 HydrophobicContact CD1-CG2 3.92Å; F140-I146 HydrophobicContact CE1-CG2 4Å; F140-L154 HydrophobicContact CE1-CD2 4.17Å; F140-L154 HydrophobicContact CZ-CD2 3.94Å
141P89.5Confident90.6Very high83 Ų8366.2 Ų66.254%0.53938%0.38SS..SBendtrans-67.8-20-177.327.1-35.2000113.5S137S137-P141 WeakPolarHBondContact O-CA 3.15Å; S137-P141 WeakPolarHBondContact O-CB 3.3Å
142S91.6Very high90.2Very high41 Ų4169.8 Ų69.829%0.28739%0.393SS..  trans-132.8151.2177.2174.90000109F140 V144 S145 I146F140-S142 PolarHBondContact O-N 2.93Å; S142-V144 VanDerWaalsContact OG-CG2 3.31Å; S142-V144 WeakPolarHBondContact OG-CG2 3.28Å; S142-V144 PolarHBondContact OG-N 2.83Å; S142-V144 VanDerWaalsContact OG-N 3.17Å; S142-S145 WeakPolarHBondContact CB-O 3.29Å; S142-S145 PolarHBondContact OG-N 3.38Å; S142-I146 WeakPolarHBondContact O-CD1 3.37Å
143R90.8Very high90Very high54 Ų5469.7 Ų69.720%0.20438%0.379CS..SBendtrans-90.6-21.3172.7-59.2-72.8-67-83.5-6.5111.9V66 Y69 E70 R73V66-R143 VanDerWaalsContact CG1-O 3.32Å; V66-R143 WeakPolarHBondContact CG1-O 3.36Å; Y69-R143 WeakPolarHBondContact OH-CD 3.4Å; E70-R143 VanDerWaalsContact CD-NH2 3.27Å; E70-R143 IonicContact OE1-CZ 3.85Å; E70-R143 VanDerWaalsContact OE1-CZ 3.24Å; E70-R143 IonicContact OE1-NE 3.74Å; E70-R143 PolarHBondContact OE1-NE 3.35Å; E70-R143 IonicContact OE1-NH2 3.75Å; E70-R143 PolarHBondContact OE1-NH2 3.06Å; E70-R143 IonicContact OE2-CZ 3.38Å; E70-R143 IonicContact OE2-NE 2.68Å; E70-R143 IonicContact OE2-NH2 3.6Å; E70-R143 PolarHBondContact OE2-NH2 3.41Å; R73-R143 VanDerWaalsContact CZ-CZ 3.45Å; R73-R143 VanDerWaalsContact NE-CZ 3.32Å; R73-R143 VanDerWaalsContact NE-NH2 3.17Å
144V91.4Very high90Very high90 Ų9067.9 Ų67.955%0.54537%0.369SS..SBendtrans-101.7-10.4-175.9-60.10000113.4S142S142-V144 VanDerWaalsContact OG-CG2 3.31Å; S142-V144 WeakPolarHBondContact OG-CG2 3.28Å; S142-V144 PolarHBondContact OG-N 2.83Å; S142-V144 VanDerWaalsContact OG-N 3.17Å
145S90.4Very high89.9Confident80 Ų8069.6 Ų69.656%0.55938%0.379SS*.  trans-144.6109177.7-178.90000109.7S142S142-S145 WeakPolarHBondContact CB-O 3.29Å; S142-S145 PolarHBondContact OG-N 3.38Å
146I90.5Very high89.9Confident12 Ų1266.7 Ų66.76%0.06237%0.366CS..  trans-105.8131.8-178.7-51.5-49000109.6V65 V66 Y69 F140 S142V65-I146 HydrophobicContact CB-CB 4.33Å; V65-I146 HydrophobicContact CG1-CB 3.57Å; V65-I146 HydrophobicContact CG1-CG1 4.28Å; V65-I146 HydrophobicContact CG1-CG2 3.53Å; V66-I146 HydrophobicContact CG2-CG1 3.88Å; Y69-I146 HydrophobicContact CD1-CD1 4.01Å; Y69-I146 HydrophobicContact CD1-CG1 4.31Å; Y69-I146 HydrophobicContact CE1-CD1 4.23Å; Y69-I146 HydrophobicContact CG-CD1 4.32Å; Y69-I146 HydrophobicContact CG-CG1 4.35Å; F140-I146 HydrophobicContact CD1-CD1 4.15Å; F140-I146 HydrophobicContact CD1-CG2 3.92Å; F140-I146 HydrophobicContact CE1-CG2 4Å; S142-I146 WeakPolarHBondContact O-CD1 3.37Å
147K87.6Confident90Very high137 Ų13765.5 Ų65.560%0.59636%0.357SS*.  trans-68.9137.3174.3-64.7-177.5179.2-179.10110.2T149 S150K147-T149 PolarHBondContact O-N 2.92Å; K147-T149 VanDerWaalsContact O-N 3.11Å; K147-S150 WeakPolarHBondContact O-CB 3.25Å; K147-S150 PolarHBondContact O-N 3.39Å
148V82.4Confident90.3Very high117 Ų11760.9 Ų60.971%0.70933%0.325SS*.G310 helixtrans-53.9-34.6175.4-179.60000112.2S150 V151V148-S150 PolarHBondContact O-N 3.26Å; V148-S150 VanDerWaalsContact O-N 3.12Å; V148-V151 VanDerWaalsContact O-CB 3.25Å; V148-V151 WeakPolarHBondContact O-CB 3.4Å; V148-V151 WeakPolarHBondContact O-CG2 3.29Å; V148-V151 PolarHBondContact O-N 3.41Å
149T84.1Confident90.5Very high108 Ų10858.6 Ų58.666%0.66331%0.312SS*.G310 helixtrans-61-21.7176550000114.3K147K147-T149 PolarHBondContact O-N 2.92Å; K147-T149 VanDerWaalsContact O-N 3.11Å
150S86.6Confident90.9Very high6 Ų660.3 Ų60.34%0.04232%0.318CS..G310 helixtrans-85.9-13.7178.1-61.40000112.6Y139 K147 V148 N152 R153Y139-S150 PolarHBondContact O-OG 2.99Å; K147-S150 WeakPolarHBondContact O-CB 3.25Å; K147-S150 PolarHBondContact O-N 3.39Å; V148-S150 PolarHBondContact O-N 3.26Å; V148-S150 VanDerWaalsContact O-N 3.12Å; S150-N152 PolarHBondContact O-N 3Å; S150-R153 VanDerWaalsContact O-CB 3.31Å; S150-R153 WeakPolarHBondContact O-CB 3.44Å; S150-R153 PolarHBondContact O-N 3.45Å; S150-R153 VanDerWaalsContact O-N 3.14Å
151V85.4Confident91.1Very high26 Ų2659.9 Ų59.916%0.15832%0.316CS..Hα-helixtrans-60.2-44.7-179.6179.50000111.4V65 V148 R153 L154V65-V151 HydrophobicContact CB-CG2 4.38Å; V65-V151 HydrophobicContact CG1-CG2 3.53Å; V65-V151 HydrophobicContact CG2-CG2 3.88Å; V148-V151 VanDerWaalsContact O-CB 3.25Å; V148-V151 WeakPolarHBondContact O-CB 3.4Å; V148-V151 WeakPolarHBondContact O-CG2 3.29Å; V148-V151 PolarHBondContact O-N 3.41Å; V151-R153 PolarHBondContact O-N 2.83Å; V151-L154 WeakPolarHBondContact O-CA 3.37Å; V151-L154 WeakPolarHBondContact O-CB 3.47Å; V151-L154 WeakPolarHBondContact O-CG 3.48Å; V151-L154 PolarHBondContact O-N 3.41Å
152N87.3Confident91.5Very high118 Ų11856.3 Ų56.363%0.63129%0.292SS*.Hα-helixtrans-56.9-21.6179.2-63.8-9.5000113.6S150S150-N152 PolarHBondContact O-N 3Å
153R91.5Very high91.8Very high94 Ų9457.7 Ų57.736%0.35529%0.291SS..Hα-helixtrans-76.3-28.6176.7-59.9179172.9-83.1-7.4111.6L133 Y139 S150 V151 S156 V157L133-R153 HydrophobicContact CD2-CB 4.38Å; Y139-R153 VanDerWaalsContact CD1-CZ 3.42Å; Y139-R153 VanDerWaalsContact CD1-NE 3.31Å; S150-R153 VanDerWaalsContact O-CB 3.31Å; S150-R153 WeakPolarHBondContact O-CB 3.44Å; S150-R153 PolarHBondContact O-N 3.45Å; S150-R153 VanDerWaalsContact O-N 3.14Å; V151-R153 PolarHBondContact O-N 2.83Å; R153-S156 PolarHBondContact O-N 2.97Å; R153-V157 WeakPolarHBondContact O-CG2 3.32Å; R153-V157 PolarHBondContact O-N 3.43Å; R153-V157 VanDerWaalsContact O-N 3.16Å
154L94.8Very high92.1Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-63.2-48.4176-55.5-177.6000110K68 Y69 L72 L134 F140 V151 S156 V157 C158 L198K68-L154 HydrophobicContact CB-CD1 3.98Å; Y69-L154 HydrophobicContact CD2-CD2 4.23Å; L72-L154 HydrophobicContact CD2-CB 3.96Å; L72-L154 HydrophobicContact CD2-CD2 3.79Å; L72-L154 HydrophobicContact CD2-CG 4.47Å; L134-L154 HydrophobicContact CD2-CD2 3.94Å; F140-L154 HydrophobicContact CE1-CD2 4.17Å; F140-L154 HydrophobicContact CZ-CD2 3.94Å; V151-L154 WeakPolarHBondContact O-CA 3.37Å; V151-L154 WeakPolarHBondContact O-CB 3.47Å; V151-L154 WeakPolarHBondContact O-CG 3.48Å; V151-L154 PolarHBondContact O-N 3.41Å; L154-S156 PolarHBondContact O-N 2.94Å; L154-V157 WeakPolarHBondContact O-CA 3.3Å; L154-V157 PolarHBondContact O-N 3.13Å; L154-C158 PolarHBondContact O-N 2.65Å; L154-C158 PolarHBondContact O-SG 3.11Å; L154-C158 VanDerWaalsContact O-SG 3.4Å; L154-L198 HydrophobicContact CB-CD2 4.43Å
155D93.7Very high92.4Very high39 Ų3950.9 Ų50.921%0.20926%0.256CS..Hα-helixtrans-54.8-42.3177.8-524.9000111.8V157 C158 R159 L198D155-V157 VanDerWaalsContact C-N 3.34Å; D155-V157 PolarHBondContact O-N 3.19Å; D155-C158 PolarHBondContact O-N 2.99Å; D155-R159 WeakPolarHBondContact O-CG 3.5Å; D155-R159 PolarHBondContact O-N 2.93Å; D155-L198 VanDerWaalsContact OD1-CD2 3.28Å; D155-L198 WeakPolarHBondContact OD1-CD2 3.41Å
156S93.5Very high92.7Very high36 Ų3647.1 Ų47.125%0.25223%0.229SC..Hα-helixtrans-67-35.7178.5-176.50000112.4R153 L154 R160R153-S156 PolarHBondContact O-N 2.97Å; L154-S156 PolarHBondContact O-N 2.94Å; S156-R160 WeakPolarHBondContact O-CD 3.44Å; S156-R160 VanDerWaalsContact O-CG 3.26Å; S156-R160 WeakPolarHBondContact O-CG 3.41Å; S156-R160 PolarHBondContact O-N 2.92Å
157V96.6Very high93Very high7 Ų746.6 Ų46.64%0.04223%0.226CC..Hα-helixtrans-71.7-44.8176.1173.70000109.3L72 A130 L133 R153 L154 D155 R159 R160 V161L72-V157 HydrophobicContact CD1-CG1 4.05Å; L72-V157 HydrophobicContact CD2-CB 3.8Å; L72-V157 HydrophobicContact CD2-CG1 3.79Å; L72-V157 HydrophobicContact CG-CG1 4.01Å; A130-V157 HydrophobicContact CB-CG1 3.81Å; L133-V157 HydrophobicContact CD2-CG2 3.58Å; R153-V157 WeakPolarHBondContact O-CG2 3.32Å; R153-V157 PolarHBondContact O-N 3.43Å; R153-V157 VanDerWaalsContact O-N 3.16Å; L154-V157 WeakPolarHBondContact O-CA 3.3Å; L154-V157 PolarHBondContact O-N 3.13Å; D155-V157 VanDerWaalsContact C-N 3.34Å; D155-V157 PolarHBondContact O-N 3.19Å; V157-R159 PolarHBondContact O-N 2.84Å; V157-R160 PolarHBondContact O-N 2.88Å; V157-V161 HydrophobicContact CG1-CG2 3.97Å; V157-V161 WeakPolarHBondContact O-CB 3.33Å; V157-V161 WeakPolarHBondContact O-CG2 3.43Å; V157-V161 PolarHBondContact O-N 3.19Å
158C97.2Very high93.5Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-53.6-51.2176.4-70.90000111.7L154 D155 R160 V161 Y162 F189 V193 M199L154-C158 PolarHBondContact O-N 2.65Å; L154-C158 PolarHBondContact O-SG 3.11Å; L154-C158 VanDerWaalsContact O-SG 3.4Å; D155-C158 PolarHBondContact O-N 2.99Å; C158-R160 VanDerWaalsContact C-N 3.27Å; C158-R160 PolarHBondContact O-N 2.87Å; C158-V161 PolarHBondContact O-N 3.22Å; C158-Y162 WeakPolarHBondContact O-CB 2.85Å; C158-Y162 PolarHBondContact O-N 3.22Å; C158-F189 HydrophobicContact CB-CZ 4.04Å; C158-F189 WeakPolarHBondContact O-CZ 3.33Å; C158-V193 HydrophobicContact CB-CG1 4.07Å; C158-M199 HydrophobicContact CB-CG 4.18Å; C158-M199 HydrophobicContact CB-SD 3.94Å
159R95.4Very high94.2Very high111 Ų11135.9 Ų35.942%0.41917%0.17SC..Hα-helixtrans-58.5-36.5177.5-73.2-173.2-66.8-95.51.8113.3D155 V157 R163 M199D155-R159 WeakPolarHBondContact O-CG 3.5Å; D155-R159 PolarHBondContact O-N 2.93Å; V157-R159 PolarHBondContact O-N 2.84Å; R159-R163 WeakPolarHBondContact O-CG 3.38Å; R159-M199 HydrophobicContact CG-CE 4.12Å; R159-M199 HydrophobicContact CG-CG 4.02Å; R159-M199 HydrophobicContact CG-SD 4.1Å
160R96.2Very high94.7Very high99 Ų9934.5 Ų34.537%0.37415%0.153SC..Hα-helixtrans-77.6-42-178.6-70.2173.1-176.2-163.60.7111.9T126 S156 V157 C158 Y162 R163T126-R160 HydrophobicContact CG2-CB 3.79Å; S156-R160 WeakPolarHBondContact O-CD 3.44Å; S156-R160 VanDerWaalsContact O-CG 3.26Å; S156-R160 WeakPolarHBondContact O-CG 3.41Å; S156-R160 PolarHBondContact O-N 2.92Å; V157-R160 PolarHBondContact O-N 2.88Å; C158-R160 VanDerWaalsContact C-N 3.27Å; C158-R160 PolarHBondContact O-N 2.87Å; R160-Y162 VanDerWaalsContact C-N 3.31Å; R160-R163 WeakPolarHBondContact O-CB 3.24Å; R160-R163 PolarHBondContact O-N 3.22Å
161V97.3Very high95.2Very high0 Ų038 Ų380%017%0.168CC..Hα-helixtrans-60.9-42.5174.1160.40000110.5L79 V157 C158 R163 I164 F165 F189L79-V161 HydrophobicContact CD2-CB 4.38Å; L79-V161 HydrophobicContact CD2-CG1 3.54Å; L79-V161 HydrophobicContact CD2-CG2 4.46Å; V157-V161 HydrophobicContact CG1-CG2 3.97Å; V157-V161 WeakPolarHBondContact O-CB 3.33Å; V157-V161 WeakPolarHBondContact O-CG2 3.43Å; V157-V161 PolarHBondContact O-N 3.19Å; C158-V161 PolarHBondContact O-N 3.22Å; V161-R163 PolarHBondContact O-N 3.46Å; V161-I164 WeakPolarHBondContact O-CB 3.47Å; V161-I164 PolarHBondContact O-N 2.62Å; V161-F165 HydrophobicContact CG1-CD2 4.43Å; V161-F165 HydrophobicContact CG1-CE2 3.93Å; V161-F189 HydrophobicContact CB-CE2 4.32Å; V161-F189 HydrophobicContact CB-CZ 4.27Å; V161-F189 HydrophobicContact CG1-CD2 4.2Å; V161-F189 HydrophobicContact CG1-CE2 3.57Å; V161-F189 HydrophobicContact CG1-CZ 3.81Å
162Y97.4Very high95.7Very high7 Ų737.2 Ų37.23%0.02716%0.163CC..Hα-helixtrans-58-35.3178.7-170.6-108000113.6C158 R160 I164 F165 S166 F189 M199 N203 L204 I205 V206C158-Y162 WeakPolarHBondContact O-CB 2.85Å; C158-Y162 PolarHBondContact O-N 3.22Å; R160-Y162 VanDerWaalsContact C-N 3.31Å; Y162-I164 PolarHBondContact O-N 3.38Å; Y162-F165 HydrophobicContact CD2-CD2 4.43Å; Y162-F165 WeakPolarHBondContact O-CB 3.06Å; Y162-F165 PolarHBondContact O-N 3.02Å; Y162-S166 VanDerWaalsContact CE1-OG 3.26Å; Y162-S166 WeakPolarHBondContact CE1-OG 3.37Å; Y162-S166 PolarHBondContact O-N 3.29Å; Y162-S166 PolarHBondContact O-OG 2.85Å; Y162-S166 VanDerWaalsContact O-OG 3.14Å; Y162-F189 HydrophobicContact CD2-CD1 4.01Å; Y162-F189 AromaticContact CD2-CE1 3.79Å; Y162-F189 HydrophobicContact CD2-CE1 3.79Å; Y162-F189 HydrophobicContact CG-CE1 4.31Å; Y162-M199 HydrophobicContact CD1-CE 3.87Å; Y162-M199 HydrophobicContact CG-CE 3.87Å; Y162-M199 HydrophobicContact CG-SD 4.45Å; Y162-N203 VanDerWaalsContact CE1-O 3.31Å; Y162-N203 WeakPolarHBondContact CE1-O 3.4Å; Y162-L204 HydrophobicContact CD1-CD2 4.2Å; Y162-L204 HydrophobicContact CD2-CD2 3.9Å; Y162-L204 HydrophobicContact CE1-CD2 3.85Å; Y162-L204 HydrophobicContact CE2-CD2 3.52Å; Y162-L204 HydrophobicContact CG-CD2 4.21Å; Y162-L204 VanDerWaalsContact CZ-CD2 3.49Å; Y162-L204 VanDerWaalsContact OH-C 3.28Å; Y162-L204 WeakPolarHBondContact OH-CA 3.35Å; Y162-I205 HydrophobicContact CE1-CG1 4.4Å; Y162-I205 PolarHBondContact OH-N 3.01Å; Y162-V206 WeakPolarHBondContact OH-CB 3.4Å; Y162-V206 PolarHBondContact OH-N 3.13Å
163R96.8Very high96.2Very high71 Ų7136.7 Ų36.727%0.26815%0.152SC..Hα-helixtrans-59.2-31.2176.5-65.2165.9178.2-171.1-6.1112.7F106 Y122 R159 R160 V161 H167F106-R163 HydrophobicContact CD1-CG 4.01Å; F106-R163 HydrophobicContact CD2-CB 3.83Å; F106-R163 HydrophobicContact CD2-CG 3.75Å; F106-R163 HydrophobicContact CE1-CG 4.01Å; F106-R163 HydrophobicContact CE2-CB 3.92Å; F106-R163 HydrophobicContact CE2-CG 3.74Å; F106-R163 HydrophobicContact CG-CB 4.35Å; F106-R163 HydrophobicContact CG-CG 3.88Å; F106-R163 HydrophobicContact CZ-CG 3.88Å; Y122-R163 WeakPolarHBondContact OH-CD 3.39Å; Y122-R163 PolarHBondContact OH-NH1 2.87Å; R159-R163 WeakPolarHBondContact O-CG 3.38Å; R160-R163 WeakPolarHBondContact O-CB 3.24Å; R160-R163 PolarHBondContact O-N 3.22Å; V161-R163 PolarHBondContact O-N 3.46Å; R163-H167 VanDerWaalsContact O-CB 3.28Å; R163-H167 WeakPolarHBondContact O-CB 3.33Å; R163-H167 PolarHBondContact O-N 3.18Å
164I97.8Very high96.5Very high0 Ų039.7 Ų39.70%017%0.17CC..Hα-helixtrans-68.8-44.1176.6-58166.1000109.6L79 T123 T126 L127 V161 Y162 H167 A168L79-I164 HydrophobicContact CD1-CG2 4.08Å; L79-I164 HydrophobicContact CD2-CB 4.24Å; L79-I164 HydrophobicContact CD2-CD1 3.83Å; L79-I164 HydrophobicContact CD2-CG2 4.35Å; L79-I164 HydrophobicContact CG-CG2 4.39Å; T123-I164 HydrophobicContact CG2-CD1 4.1Å; T123-I164 HydrophobicContact CG2-CG1 4.32Å; T123-I164 HydrophobicContact CG2-CG2 3.93Å; T126-I164 HydrophobicContact CG2-CD1 3.89Å; L127-I164 HydrophobicContact CD2-CD1 4.31Å; L127-I164 HydrophobicContact CG-CD1 4.1Å; V161-I164 WeakPolarHBondContact O-CB 3.47Å; V161-I164 PolarHBondContact O-N 2.62Å; Y162-I164 PolarHBondContact O-N 3.38Å; I164-H167 PolarHBondContact O-N 3.11Å; I164-A168 WeakPolarHBondContact O-CB 3.45Å; I164-A168 PolarHBondContact O-N 2.73Å
165F97.7Very high96.6Very high1 Ų140.5 Ų40.50%0.00417%0.174CC..Hα-helixtrans-60.5-46.8173.9-69.8-63.5000111.6L79 L82 V161 Y162 H167 A168 Y169 F176 L185 C186 F189L79-F165 HydrophobicContact CD1-CD1 4.24Å; L79-F165 HydrophobicContact CD1-CE1 3.7Å; L79-F165 HydrophobicContact CD1-CE2 4.38Å; L79-F165 HydrophobicContact CD1-CZ 3.77Å; L79-F165 HydrophobicContact CD2-CE2 4.4Å; L79-F165 HydrophobicContact CD2-CZ 4.43Å; L82-F165 HydrophobicContact CD2-CD1 4.23Å; L82-F165 HydrophobicContact CD2-CE1 4.4Å; V161-F165 HydrophobicContact CG1-CD2 4.43Å; V161-F165 HydrophobicContact CG1-CE2 3.93Å; Y162-F165 HydrophobicContact CD2-CD2 4.43Å; Y162-F165 WeakPolarHBondContact O-CB 3.06Å; Y162-F165 PolarHBondContact O-N 3.02Å; F165-H167 PolarHBondContact O-N 3.3Å; F165-A168 PolarHBondContact O-N 2.82Å; F165-Y169 WeakPolarHBondContact O-CB 3.43Å; F165-Y169 PolarHBondContact O-N 3.01Å; F165-F176 HydrophobicContact CD1-CE2 4.31Å; F165-L185 HydrophobicContact CE1-CB 4.4Å; F165-L185 HydrophobicContact CE1-CD2 3.94Å; F165-L185 HydrophobicContact CE1-CG 3.98Å; F165-L185 HydrophobicContact CZ-CD2 3.88Å; F165-L185 HydrophobicContact CZ-CG 3.8Å; F165-C186 HydrophobicContact CD1-CB 3.65Å; F165-C186 HydrophobicContact CE1-CB 3.9Å; F165-C186 HydrophobicContact CG-CB 4.23Å; F165-F189 HydrophobicContact CD2-CD1 4.08Å; F165-F189 HydrophobicContact CD2-CG 4.27Å; F165-F189 HydrophobicContact CE2-CB 3.85Å; F165-F189 AromaticContact CE2-CD1 3.89Å; F165-F189 HydrophobicContact CE2-CD1 3.89Å; F165-F189 AromaticContact CE2-CD2 3.98Å; F165-F189 HydrophobicContact CE2-CD2 3.98Å; F165-F189 HydrophobicContact CE2-CE1 4.48Å; F165-F189 AromaticContact CE2-CG 3.61Å; F165-F189 HydrophobicContact CE2-CG 3.61Å; F165-F189 HydrophobicContact CZ-CB 4.2Å; F165-F189 HydrophobicContact CZ-CG 4.39Å
166S96.5Very high96.8Very high1 Ų138.9 Ų38.91%0.00717%0.165CC..Hα-helixtrans-61.4-45.2178.5-48.10000111.8A100 Y162 Y169 Y170A100-S166 VanDerWaalsContact CB-CB 3.47Å; Y162-S166 VanDerWaalsContact CE1-OG 3.26Å; Y162-S166 WeakPolarHBondContact CE1-OG 3.37Å; Y162-S166 PolarHBondContact O-N 3.29Å; Y162-S166 PolarHBondContact O-OG 2.85Å; Y162-S166 VanDerWaalsContact O-OG 3.14Å; S166-Y169 PolarHBondContact O-N 3.3Å; S166-Y170 VanDerWaalsContact O-CD2 3.22Å; S166-Y170 WeakPolarHBondContact O-CD2 3.32Å; S166-Y170 PolarHBondContact O-N 2.73Å; S166-Y170 VanDerWaalsContact O-N 3.09Å
167H97.3Very high97Very high0 Ų040.3 Ų40.30%017%0.17CC..Hα-helixtrans-59.3-48.9175.8175.671.6000112.1M98 T99 A119 R163 I164 F165 Y169 Y170 H171 H172M98-H167 HydrophobicContact CE-CB 4.25Å; M98-H167 HydrophobicContact SD-CB 3.49Å; M98-H167 WeakPolarHBondContact SD-CB 3.48Å; M98-H167 VanDerWaalsContact SD-CG 3.55Å; T99-H167 WeakPolarHBondContact O-CB 3.49Å; T99-H167 PolarHBondContact O-ND1 2.96Å; A119-H167 WeakPolarHBondContact CB-CE1 3.2Å; A119-H167 VanDerWaalsContact CB-NE2 3.31Å; A119-H167 WeakPolarHBondContact CB-NE2 3.25Å; R163-H167 VanDerWaalsContact O-CB 3.28Å; R163-H167 WeakPolarHBondContact O-CB 3.33Å; R163-H167 PolarHBondContact O-N 3.18Å; I164-H167 PolarHBondContact O-N 3.11Å; F165-H167 PolarHBondContact O-N 3.3Å; H167-Y169 VanDerWaalsContact C-N 3.31Å; H167-Y169 PolarHBondContact O-N 2.82Å; H167-Y170 PolarHBondContact O-N 2.85Å; H167-H171 AromaticContact CE1-CD2 3.7Å; H167-H171 AromaticContact CE1-CG 3.94Å; H167-H171 AromaticContact ND1-CD2 3.32Å; H167-H171 PolarHBondContact ND1-CD2 2.9Å; H167-H171 VanDerWaalsContact ND1-CD2 3.32Å; H167-H171 AromaticContact ND1-CG 4Å; H167-H171 WeakPolarHBondContact O-CB 3.31Å; H167-H171 PolarHBondContact O-N 3.31Å; H167-H172 AromaticContact NE2-CD2 3.52Å; H167-H172 AromaticContact NE2-NE2 3.64Å
168A97.6Very high97Very high0 Ų043.7 Ų43.70%019%0.194CC..Hα-helixtrans-59.2-43.2178.500000111.5L82 L86 I164 F165 H172 F176L82-A168 HydrophobicContact CD2-CB 3.98Å; L86-A168 HydrophobicContact CD1-CB 4.27Å; L86-A168 HydrophobicContact CD2-CB 4.19Å; I164-A168 WeakPolarHBondContact O-CB 3.45Å; I164-A168 PolarHBondContact O-N 2.73Å; F165-A168 PolarHBondContact O-N 2.82Å; A168-H172 CarbonylContact O-C 3.59Å; A168-H172 VanDerWaalsContact O-CA 3.27Å; A168-H172 WeakPolarHBondContact O-CA 3Å; A168-H172 PolarHBondContact O-N 3.26Å; A168-H172 VanDerWaalsContact O-O 3.1Å; A168-F176 HydrophobicContact CB-CB 4.29Å; A168-F176 HydrophobicContact CB-CD2 3.93Å
169Y97.2Very high97.1Very high29 Ų2945 Ų4511%0.11420%0.2CC..Hα-helixtrans-62.3-48.1179.7-178.3-92000113.2F165 S166 H167 R173 F176 V206 P207F165-Y169 WeakPolarHBondContact O-CB 3.43Å; F165-Y169 PolarHBondContact O-N 3.01Å; S166-Y169 PolarHBondContact O-N 3.3Å; H167-Y169 VanDerWaalsContact C-N 3.31Å; H167-Y169 PolarHBondContact O-N 2.82Å; Y169-R173 VanDerWaalsContact CZ-CZ 3.5Å; Y169-R173 WeakPolarHBondContact O-CD 3.34Å; Y169-R173 PolarHBondContact OH-NH1 2.68Å; Y169-F176 AromaticContact CD2-CD1 3.74Å; Y169-F176 HydrophobicContact CD2-CD1 3.74Å; Y169-F176 AromaticContact CD2-CE1 3.55Å; Y169-F176 HydrophobicContact CD2-CE1 3.55Å; Y169-F176 HydrophobicContact CD2-CG 4.34Å; Y169-F176 AromaticContact CD2-CZ 3.95Å; Y169-F176 HydrophobicContact CD2-CZ 3.95Å; Y169-F176 HydrophobicContact CE2-CE1 4.24Å; Y169-V206 HydrophobicContact CD1-CG1 4.44Å; Y169-V206 HydrophobicContact CD2-CG1 3.58Å; Y169-V206 HydrophobicContact CE2-CG1 4.02Å; Y169-V206 HydrophobicContact CG-CG1 3.8Å; Y169-V206 HydrophobicContact CG-CG2 4.28Å; Y169-P207 HydrophobicContact CE1-CG 4.09Å; Y169-P207 HydrophobicContact CE2-CG 4.11Å; Y169-P207 VanDerWaalsContact CZ-CG 3.45Å; Y169-P207 WeakPolarHBondContact OH-CD 3.08Å; Y169-P207 WeakPolarHBondContact OH-CG 3.35Å
170Y95.9Very high97.2Very high80 Ų8040.7 Ų40.731%0.31419%0.185SC..Hα-helixtrans-85.8-28.9-173.1-73.4-73.8000114.1A100 T101 S166 H167 I205A100-Y170 HydrophobicContact CB-CD2 4.1Å; A100-Y170 WeakPolarHBondContact O-CB 3.48Å; A100-Y170 WeakPolarHBondContact O-CD2 3.35Å; T101-Y170 HydrophobicContact CG2-CE2 4.43Å; S166-Y170 VanDerWaalsContact O-CD2 3.22Å; S166-Y170 WeakPolarHBondContact O-CD2 3.32Å; S166-Y170 PolarHBondContact O-N 2.73Å; S166-Y170 VanDerWaalsContact O-N 3.09Å; H167-Y170 PolarHBondContact O-N 2.85Å; Y170-I205 HydrophobicContact CD2-CD1 4.44Å; Y170-I205 HydrophobicContact CE2-CB 4.49Å; Y170-I205 HydrophobicContact CE2-CD1 3.72Å; Y170-I205 HydrophobicContact CE2-CG1 3.96Å; Y170-I205 PolarHBondContact OH-O 3.13Å
171H95.9Very high97.2Very high79 Ų7943.6 Ų43.637%0.36620%0.203SC..Hα-helixtrans-107.3-23.7-176.7-65.3-74.4000114.2T99 H167T99-H171 PolarHBondContact O-CD2 3.4Å; T99-H171 VanDerWaalsContact O-CD2 3.29Å; T99-H171 PolarHBondContact O-NE2 2.99Å; T99-H171 PolarHBondContact OG1-CE1 3.24Å; T99-H171 PolarHBondContact OG1-NE2 3.39Å; H167-H171 AromaticContact CE1-CD2 3.7Å; H167-H171 AromaticContact CE1-CG 3.94Å; H167-H171 AromaticContact ND1-CD2 3.32Å; H167-H171 PolarHBondContact ND1-CD2 2.9Å; H167-H171 VanDerWaalsContact ND1-CD2 3.32Å; H167-H171 AromaticContact ND1-CG 4Å; H167-H171 WeakPolarHBondContact O-CB 3.31Å; H167-H171 PolarHBondContact O-N 3.31Å
172H96.6Very high97.1Very high10 Ų1046.9 Ų46.95%0.04623%0.226CC..  trans-132.353.5-174.4-65.6-69.6000111.3L86 C90 C95 H167 A168 E174 I175 F176L86-H172 HydrophobicContact CD2-CB 3.56Å; C90-H172 WeakPolarHBondContact CB-NE2 3.35Å; C95-H172 PolarHBondContact SG-NE2 3.4Å; H167-H172 AromaticContact NE2-CD2 3.52Å; H167-H172 AromaticContact NE2-NE2 3.64Å; A168-H172 CarbonylContact O-C 3.59Å; A168-H172 VanDerWaalsContact O-CA 3.27Å; A168-H172 WeakPolarHBondContact O-CA 3Å; A168-H172 PolarHBondContact O-N 3.26Å; A168-H172 VanDerWaalsContact O-O 3.1Å; H172-E174 PolarHBondContact O-N 3.38Å; H172-I175 HydrophobicContact CB-CB 4.37Å; H172-I175 HydrophobicContact CB-CD1 4.41Å; H172-I175 PolarHBondContact O-N 3.4Å; H172-I175 VanDerWaalsContact O-N 3.17Å; H172-F176 PolarHBondContact O-N 3.33Å
173R96.4Very high97.1Very high107 Ų10747.7 Ų47.740%0.40423%0.231SC..Hα-helixtrans-58.3-44.9-165.4-175.454.8-175.5-107.99.1114.1Y169 I175 F176 D177Y169-R173 VanDerWaalsContact CZ-CZ 3.5Å; Y169-R173 WeakPolarHBondContact O-CD 3.34Å; Y169-R173 PolarHBondContact OH-NH1 2.68Å; R173-I175 PolarHBondContact O-N 3.22Å; R173-F176 PolarHBondContact O-N 3.42Å; R173-D177 WeakPolarHBondContact CD-OD2 3.46Å; R173-D177 IonicContact CZ-OD1 3.24Å; R173-D177 IonicContact CZ-OD2 3.79Å; R173-D177 IonicContact NE-OD1 2.81Å; R173-D177 PolarHBondContact NE-OD1 2.97Å; R173-D177 IonicContact NE-OD2 2.83Å; R173-D177 PolarHBondContact NE-OD2 3.17Å; R173-D177 IonicContact NH2-OD1 3.01Å; R173-D177 PolarHBondContact NH2-OD1 3.45Å; R173-D177 IonicContact NH2-OD2 2.65Å; R173-D177 WeakPolarHBondContact O-CB 3.48Å; R173-D177 PolarHBondContact O-N 3.04Å
174E97.6Very high97.1Very high156 Ų15644.3 Ų44.373%0.72922%0.219SC*.Hα-helixtrans-62.4-42.2179.7-64.2178.8-18000112.3H172 S178H172-E174 PolarHBondContact O-N 3.38Å; E174-S178 WeakPolarHBondContact O-CB 3.37Å; E174-S178 PolarHBondContact O-N 3.33Å
175I97.9Very high97.1Very high17 Ų1744.3 Ų44.39%0.08722%0.219CC..Hα-helixtrans-64.6-45176.1-66.2172.3000110.1L82 C85 L86 Q89 H172 R173 F179L82-I175 HydrophobicContact CD1-CG2 3.98Å; C85-I175 HydrophobicContact CB-CG2 3.62Å; L86-I175 HydrophobicContact CD2-CG2 4.15Å; Q89-I175 HydrophobicContact CB-CD1 4.11Å; Q89-I175 HydrophobicContact CG-CD1 3.93Å; H172-I175 HydrophobicContact CB-CB 4.37Å; H172-I175 HydrophobicContact CB-CD1 4.41Å; H172-I175 PolarHBondContact O-N 3.4Å; H172-I175 VanDerWaalsContact O-N 3.17Å; R173-I175 PolarHBondContact O-N 3.22Å; I175-F179 VanDerWaalsContact O-CB 3.28Å; I175-F179 WeakPolarHBondContact O-CB 3.27Å; I175-F179 PolarHBondContact O-N 3.11Å
176F97.8Very high97.1Very high5 Ų544.3 Ų44.32%0.02222%0.218CC..Hα-helixtrans-60-50.9177.9176.8-85.3000111.4F165 A168 Y169 H172 R173 S178 F179 E180 C186 V206 I208F165-F176 HydrophobicContact CD1-CE2 4.31Å; A168-F176 HydrophobicContact CB-CB 4.29Å; A168-F176 HydrophobicContact CB-CD2 3.93Å; Y169-F176 AromaticContact CD2-CD1 3.74Å; Y169-F176 HydrophobicContact CD2-CD1 3.74Å; Y169-F176 AromaticContact CD2-CE1 3.55Å; Y169-F176 HydrophobicContact CD2-CE1 3.55Å; Y169-F176 HydrophobicContact CD2-CG 4.34Å; Y169-F176 AromaticContact CD2-CZ 3.95Å; Y169-F176 HydrophobicContact CD2-CZ 3.95Å; Y169-F176 HydrophobicContact CE2-CE1 4.24Å; H172-F176 PolarHBondContact O-N 3.33Å; R173-F176 PolarHBondContact O-N 3.42Å; F176-S178 PolarHBondContact O-N 3.48Å; F176-F179 PolarHBondContact O-N 3.14Å; F176-E180 HydrophobicContact CD1-CB 4.44Å; F176-E180 HydrophobicContact CE1-CB 4.06Å; F176-E180 HydrophobicContact CE1-CG 4.26Å; F176-E180 HydrophobicContact CZ-CB 4.39Å; F176-E180 HydrophobicContact CZ-CG 4.41Å; F176-E180 VanDerWaalsContact O-CB 3.25Å; F176-E180 WeakPolarHBondContact O-CB 3.31Å; F176-E180 PolarHBondContact O-N 3.34Å; F176-C186 HydrophobicContact CE2-CB 3.84Å; F176-C186 HydrophobicContact CZ-CB 3.69Å; F176-V206 HydrophobicContact CZ-CG1 4.1Å; F176-I208 HydrophobicContact CZ-CD1 4.3Å
177D97.4Very high97.1Very high66 Ų6647.2 Ų47.235%0.35323%0.229SC..Hα-helixtrans-63.4-44.6-176.3-72.9-21.7000111.2R173 F179 E180 E181R173-D177 WeakPolarHBondContact CD-OD2 3.46Å; R173-D177 IonicContact CZ-OD1 3.24Å; R173-D177 IonicContact CZ-OD2 3.79Å; R173-D177 IonicContact NE-OD1 2.81Å; R173-D177 PolarHBondContact NE-OD1 2.97Å; R173-D177 IonicContact NE-OD2 2.83Å; R173-D177 PolarHBondContact NE-OD2 3.17Å; R173-D177 IonicContact NH2-OD1 3.01Å; R173-D177 PolarHBondContact NH2-OD1 3.45Å; R173-D177 IonicContact NH2-OD2 2.65Å; R173-D177 WeakPolarHBondContact O-CB 3.48Å; R173-D177 PolarHBondContact O-N 3.04Å; D177-F179 PolarHBondContact O-N 2.91Å; D177-E180 PolarHBondContact O-N 3.26Å; D177-E181 VanDerWaalsContact O-CB 3.31Å; D177-E181 WeakPolarHBondContact O-CB 3.5Å; D177-E181 PolarHBondContact O-N 3.02Å
178S97.8Very high97.1Very high78 Ų7847.3 Ų47.355%0.54523%0.23SC..Hα-helixtrans-62.9-40.4177.1-178.80000112.6E174 F176 S182E174-S178 WeakPolarHBondContact O-CB 3.37Å; E174-S178 PolarHBondContact O-N 3.33Å; F176-S178 PolarHBondContact O-N 3.48Å; S178-S182 PolarHBondContact O-N 3.11Å; S178-S182 PolarHBondContact O-OG 3.22Å
179F97.8Very high97.1Very high27 Ų2747.3 Ų47.312%0.11823%0.23CC..Hα-helixtrans-70.5-40.1176.9-168.7-89.5000111.9L82 I175 F176 D177 S182 T183 L185L82-F179 HydrophobicContact CB-CD1 3.97Å; L82-F179 HydrophobicContact CB-CD2 4.27Å; L82-F179 HydrophobicContact CB-CE1 3.87Å; L82-F179 HydrophobicContact CB-CE2 4.17Å; L82-F179 HydrophobicContact CB-CG 4.18Å; L82-F179 HydrophobicContact CB-CZ 3.96Å; L82-F179 HydrophobicContact CD1-CB 3.91Å; L82-F179 HydrophobicContact CD1-CD1 4.13Å; L82-F179 HydrophobicContact CD1-CD2 4.38Å; L82-F179 HydrophobicContact CD1-CG 3.87Å; L82-F179 HydrophobicContact CG-CD1 4.45Å; L82-F179 VanDerWaalsContact N-CE2 3.3Å; I175-F179 VanDerWaalsContact O-CB 3.28Å; I175-F179 WeakPolarHBondContact O-CB 3.27Å; I175-F179 PolarHBondContact O-N 3.11Å; F176-F179 PolarHBondContact O-N 3.14Å; D177-F179 PolarHBondContact O-N 2.91Å; F179-S182 PolarHBondContact O-N 3.25Å; F179-S182 PolarHBondContact O-OG 3.02Å; F179-S182 VanDerWaalsContact O-OG 3.06Å; F179-T183 HydrophobicContact CD1-CG2 4.35Å; F179-T183 WeakPolarHBondContact CD1-OG1 3.25Å; F179-T183 HydrophobicContact CE1-CG2 3.98Å; F179-T183 WeakPolarHBondContact CE1-OG1 3.45Å; F179-T183 HydrophobicContact CE2-CG2 4.29Å; F179-T183 HydrophobicContact CZ-CG2 3.95Å; F179-T183 WeakPolarHBondContact O-CB 3.32Å; F179-T183 WeakPolarHBondContact O-CG2 3.25Å; F179-T183 PolarHBondContact O-N 3.44Å; F179-T183 VanDerWaalsContact O-N 3.11Å; F179-T183 PolarHBondContact O-OG1 2.98Å; F179-L185 HydrophobicContact CE1-CB 4.01Å; F179-L185 HydrophobicContact CE1-CD2 3.69Å; F179-L185 HydrophobicContact CE1-CG 4.48Å; F179-L185 HydrophobicContact CZ-CD2 4.31Å
180E97.3Very high97.1Very high21 Ų2146.1 Ų46.110%0.09823%0.225CC..Hα-helixtrans-69.6-37.5179.5-174.861.2-168.200111.9F176 D177 S182 T183 A184 L185 C186 R187F176-E180 HydrophobicContact CD1-CB 4.44Å; F176-E180 HydrophobicContact CE1-CB 4.06Å; F176-E180 HydrophobicContact CE1-CG 4.26Å; F176-E180 HydrophobicContact CZ-CB 4.39Å; F176-E180 HydrophobicContact CZ-CG 4.41Å; F176-E180 VanDerWaalsContact O-CB 3.25Å; F176-E180 WeakPolarHBondContact O-CB 3.31Å; F176-E180 PolarHBondContact O-N 3.34Å; D177-E180 PolarHBondContact O-N 3.26Å; E180-S182 VanDerWaalsContact C-N 3.27Å; E180-S182 PolarHBondContact O-N 3.49Å; E180-T183 PolarHBondContact O-N 3.24Å; E180-A184 VanDerWaalsContact O-CA 3.3Å; E180-A184 WeakPolarHBondContact O-CA 3.35Å; E180-A184 PolarHBondContact O-N 3.44Å; E180-A184 VanDerWaalsContact OE1-CA 3.31Å; E180-A184 WeakPolarHBondContact OE1-CA 3.27Å; E180-L185 PolarHBondContact OE2-N 3.17Å; E180-C186 WeakPolarHBondContact OE2-CA 3.35Å; E180-C186 WeakPolarHBondContact OE2-CB 3.46Å; E180-C186 PolarHBondContact OE2-N 2.84Å; E180-R187 WeakPolarHBondContact OE1-CB 3.48Å; E180-R187 PolarHBondContact OE1-N 2.98Å
181E96.5Very high97.1Very high161 Ų16143.1 Ų43.175%0.75222%0.216SC*.Hα-helixtrans-60.5-37.6175.3-177.2173.6-153.600111.9D177D177-E181 VanDerWaalsContact O-CB 3.31Å; D177-E181 WeakPolarHBondContact O-CB 3.5Å; D177-E181 PolarHBondContact O-N 3.02Å
182S95.7Very high97.2Very high69 Ų6939.4 Ų39.448%0.48320%0.198SC..Hα-helixtrans-87.8-16.6-177.355.30000114.8F49 S178 F179 E180F49-S182 WeakPolarHBondContact CZ-O 3.31Å; S178-S182 PolarHBondContact O-N 3.11Å; S178-S182 PolarHBondContact O-OG 3.22Å; F179-S182 PolarHBondContact O-N 3.25Å; F179-S182 PolarHBondContact O-OG 3.02Å; F179-S182 VanDerWaalsContact O-OG 3.06Å; E180-S182 VanDerWaalsContact C-N 3.27Å; E180-S182 PolarHBondContact O-N 3.49Å
183T96.7Very high97.2Very high24 Ų2438.9 Ų38.915%0.14720%0.196CC..Hα-helixtrans-130.5-22.4-171.866.40000115.2F179 E180 L185 R188F179-T183 HydrophobicContact CD1-CG2 4.35Å; F179-T183 WeakPolarHBondContact CD1-OG1 3.25Å; F179-T183 HydrophobicContact CE1-CG2 3.98Å; F179-T183 WeakPolarHBondContact CE1-OG1 3.45Å; F179-T183 HydrophobicContact CE2-CG2 4.29Å; F179-T183 HydrophobicContact CZ-CG2 3.95Å; F179-T183 WeakPolarHBondContact O-CB 3.32Å; F179-T183 WeakPolarHBondContact O-CG2 3.25Å; F179-T183 PolarHBondContact O-N 3.44Å; F179-T183 VanDerWaalsContact O-N 3.11Å; F179-T183 PolarHBondContact O-OG1 2.98Å; E180-T183 PolarHBondContact O-N 3.24Å; T183-L185 PolarHBondContact O-N 3.46Å; T183-L185 VanDerWaalsContact O-N 3.15Å; T183-L185 WeakPolarHBondContact OG1-CB 3.49Å; T183-L185 PolarHBondContact OG1-N 3.21Å; T183-R188 PolarHBondContact O-NH1 3.02Å
184A96.9Very high97.2Very high0 Ų035.6 Ų35.60%019%0.186CC..  trans50.328.3-16800000113.7F49 E180 R187 R188F49-A184 HydrophobicContact CD2-CB 4.01Å; F49-A184 HydrophobicContact CE2-CB 4.45Å; E180-A184 VanDerWaalsContact O-CA 3.3Å; E180-A184 WeakPolarHBondContact O-CA 3.35Å; E180-A184 PolarHBondContact O-N 3.44Å; E180-A184 VanDerWaalsContact OE1-CA 3.31Å; E180-A184 WeakPolarHBondContact OE1-CA 3.27Å; A184-R187 VanDerWaalsContact CB-NH2 3.25Å; A184-R187 PolarHBondContact O-N 3.39Å; A184-R188 WeakPolarHBondContact O-CB 3.47Å; A184-R188 WeakPolarHBondContact O-CG 3.39Å; A184-R188 PolarHBondContact O-N 3.5Å
185L97.8Very high97Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-65.5-46.1-167.7-174.966.2000112.3F75 E78 L79 F165 F179 E180 T183 R187 F189F75-L185 HydrophobicContact CD1-CD1 3.7Å; F75-L185 HydrophobicContact CE1-CD1 4.25Å; E78-L185 HydrophobicContact CB-CD1 3.59Å; E78-L185 HydrophobicContact CB-CD2 3.85Å; E78-L185 HydrophobicContact CB-CG 4.37Å; E78-L185 HydrophobicContact CG-CD1 4.37Å; L79-L185 HydrophobicContact CB-CD2 4.17Å; L79-L185 HydrophobicContact CD1-CD2 4.29Å; F165-L185 HydrophobicContact CE1-CB 4.4Å; F165-L185 HydrophobicContact CE1-CD2 3.94Å; F165-L185 HydrophobicContact CE1-CG 3.98Å; F165-L185 HydrophobicContact CZ-CD2 3.88Å; F165-L185 HydrophobicContact CZ-CG 3.8Å; F179-L185 HydrophobicContact CE1-CB 4.01Å; F179-L185 HydrophobicContact CE1-CD2 3.69Å; F179-L185 HydrophobicContact CE1-CG 4.48Å; F179-L185 HydrophobicContact CZ-CD2 4.31Å; E180-L185 PolarHBondContact OE2-N 3.17Å; T183-L185 PolarHBondContact O-N 3.46Å; T183-L185 VanDerWaalsContact O-N 3.15Å; T183-L185 WeakPolarHBondContact OG1-CB 3.49Å; T183-L185 PolarHBondContact OG1-N 3.21Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-F189 VanDerWaalsContact O-CB 3.27Å; L185-F189 WeakPolarHBondContact O-CB 3.28Å; L185-F189 PolarHBondContact O-N 2.93Å
186C97.6Very high96.9Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-65.8-38.9178-167.40000110.8F165 F176 E180 F189 T190 I208F165-C186 HydrophobicContact CD1-CB 3.65Å; F165-C186 HydrophobicContact CE1-CB 3.9Å; F165-C186 HydrophobicContact CG-CB 4.23Å; F176-C186 HydrophobicContact CE2-CB 3.84Å; F176-C186 HydrophobicContact CZ-CB 3.69Å; E180-C186 WeakPolarHBondContact OE2-CA 3.35Å; E180-C186 WeakPolarHBondContact OE2-CB 3.46Å; E180-C186 PolarHBondContact OE2-N 2.84Å; C186-F189 PolarHBondContact O-N 3.16Å; C186-T190 VanDerWaalsContact O-CB 3.32Å; C186-T190 WeakPolarHBondContact O-CB 3.32Å; C186-T190 PolarHBondContact O-N 3.26Å; C186-T190 PolarHBondContact O-OG1 2.69Å; C186-I208 HydrophobicContact CB-CD1 4.16Å
187R97.2Very high96.7Very high62 Ų6239.1 Ų39.123%0.23421%0.205CC..Hα-helixtrans-62.7-51.2174.9-176.817374.3-1374.6112.4N50 V52 E180 A184 L185 F189 T190 T191 I208N50-R187 PolarHBondContact OD1-NH2 2.83Å; V52-R187 HydrophobicContact CG2-CG 4.25Å; E180-R187 WeakPolarHBondContact OE1-CB 3.48Å; E180-R187 PolarHBondContact OE1-N 2.98Å; A184-R187 VanDerWaalsContact CB-NH2 3.25Å; A184-R187 PolarHBondContact O-N 3.39Å; L185-R187 VanDerWaalsContact C-N 3.33Å; R187-F189 VanDerWaalsContact C-N 3.28Å; R187-F189 PolarHBondContact O-N 3.45Å; R187-T190 PolarHBondContact O-N 3.22Å; R187-T191 PolarHBondContact O-N 2.94Å; R187-T191 PolarHBondContact O-OG1 2.63Å; R187-T191 VanDerWaalsContact O-OG1 3.11Å; R187-I208 HydrophobicContact CB-CG2 3.57Å; R187-I208 HydrophobicContact CG-CG2 3.51Å
188R97.4Very high96.6Very high2 Ų236.2 Ų36.21%0.00819%0.189CC..Hα-helixtrans-57.9-42.6174.8-70.5-170.9-46.8-1456.4111.6V52 L56 F75 E78 T183 A184 F192V52-R188 HydrophobicContact CB-CG 4.45Å; V52-R188 HydrophobicContact CG1-CG 4.2Å; V52-R188 HydrophobicContact CG2-CG 3.83Å; L56-R188 WeakPolarHBondContact CD1-O 3.19Å; F75-R188 HydrophobicContact CE1-CB 3.74Å; F75-R188 HydrophobicContact CZ-CB 4.1Å; E78-R188 IonicContact OE1-CZ 3.83Å; E78-R188 IonicContact OE1-NH2 3.51Å; E78-R188 PolarHBondContact OE1-NH2 2.88Å; E78-R188 IonicContact OE2-CZ 3.69Å; E78-R188 IonicContact OE2-NH2 2.73Å; E78-R188 PolarHBondContact OE2-NH2 3.43Å; T183-R188 PolarHBondContact O-NH1 3.02Å; A184-R188 WeakPolarHBondContact O-CB 3.47Å; A184-R188 WeakPolarHBondContact O-CG 3.39Å; A184-R188 PolarHBondContact O-N 3.5Å; R188-F192 WeakPolarHBondContact O-CB 3.19Å; R188-F192 PolarHBondContact O-N 3.04Å
189F98.1Very high96.4Very high0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-64.1-46.1179.1-176.2-88000112L72 F75 C158 V161 Y162 F165 L185 C186 R187 F192 V193 M199L72-F189 HydrophobicContact CD1-CE2 4.25Å; F75-F189 HydrophobicContact CB-CD2 4.02Å; F75-F189 HydrophobicContact CD1-CB 4Å; F75-F189 AromaticContact CD1-CD2 3.97Å; F75-F189 HydrophobicContact CD1-CD2 3.97Å; F75-F189 AromaticContact CD2-CD2 3.86Å; F75-F189 HydrophobicContact CD2-CD2 3.86Å; F75-F189 HydrophobicContact CD2-CE2 4.47Å; F75-F189 HydrophobicContact CE1-CB 3.87Å; F75-F189 HydrophobicContact CE1-CD2 4.42Å; F75-F189 HydrophobicContact CE2-CD2 4.34Å; F75-F189 AromaticContact CG-CD2 3.69Å; F75-F189 HydrophobicContact CG-CD2 3.69Å; F75-F189 HydrophobicContact CG-CE2 4.49Å; F75-F189 HydrophobicContact CZ-CB 4.31Å; C158-F189 HydrophobicContact CB-CZ 4.04Å; C158-F189 WeakPolarHBondContact O-CZ 3.33Å; V161-F189 HydrophobicContact CB-CE2 4.32Å; V161-F189 HydrophobicContact CB-CZ 4.27Å; V161-F189 HydrophobicContact CG1-CD2 4.2Å; V161-F189 HydrophobicContact CG1-CE2 3.57Å; V161-F189 HydrophobicContact CG1-CZ 3.81Å; Y162-F189 HydrophobicContact CD2-CD1 4.01Å; Y162-F189 AromaticContact CD2-CE1 3.79Å; Y162-F189 HydrophobicContact CD2-CE1 3.79Å; Y162-F189 HydrophobicContact CG-CE1 4.31Å; F165-F189 HydrophobicContact CD2-CD1 4.08Å; F165-F189 HydrophobicContact CD2-CG 4.27Å; F165-F189 HydrophobicContact CE2-CB 3.85Å; F165-F189 AromaticContact CE2-CD1 3.89Å; F165-F189 HydrophobicContact CE2-CD1 3.89Å; F165-F189 AromaticContact CE2-CD2 3.98Å; F165-F189 HydrophobicContact CE2-CD2 3.98Å; F165-F189 HydrophobicContact CE2-CE1 4.48Å; F165-F189 AromaticContact CE2-CG 3.61Å; F165-F189 HydrophobicContact CE2-CG 3.61Å; F165-F189 HydrophobicContact CZ-CB 4.2Å; F165-F189 HydrophobicContact CZ-CG 4.39Å; L185-F189 VanDerWaalsContact O-CB 3.27Å; L185-F189 WeakPolarHBondContact O-CB 3.28Å; L185-F189 PolarHBondContact O-N 2.93Å; C186-F189 PolarHBondContact O-N 3.16Å; R187-F189 VanDerWaalsContact C-N 3.28Å; R187-F189 PolarHBondContact O-N 3.45Å; F189-F192 WeakPolarHBondContact O-CB 3.34Å; F189-F192 PolarHBondContact O-N 2.79Å; F189-V193 HydrophobicContact CD1-CG1 4.12Å; F189-V193 HydrophobicContact CE1-CG1 3.59Å; F189-V193 HydrophobicContact CE1-CG2 4.46Å; F189-V193 HydrophobicContact CE2-CG1 4.25Å; F189-V193 HydrophobicContact CZ-CG1 3.68Å; F189-V193 WeakPolarHBondContact O-CG2 3.39Å; F189-V193 PolarHBondContact O-N 3.01Å; F189-M199 HydrophobicContact CE1-SD 4.46Å
190T97.2Very high96.1Very high4 Ų434.8 Ų34.83%0.02518%0.181CC..Hα-helixtrans-63.8-46.9-179.1-57.30000110.9C186 R187 F192 V193 L194 L204 A211C186-T190 VanDerWaalsContact O-CB 3.32Å; C186-T190 WeakPolarHBondContact O-CB 3.32Å; C186-T190 PolarHBondContact O-N 3.26Å; C186-T190 PolarHBondContact O-OG1 2.69Å; R187-T190 PolarHBondContact O-N 3.22Å; T190-F192 VanDerWaalsContact C-N 3.31Å; T190-F192 PolarHBondContact O-N 3.34Å; T190-V193 VanDerWaalsContact O-CG2 3.29Å; T190-V193 WeakPolarHBondContact O-CG2 3.09Å; T190-V193 PolarHBondContact O-N 3.41Å; T190-L194 HydrophobicContact CG2-CD1 4.42Å; T190-L194 WeakPolarHBondContact O-CG 3.46Å; T190-L194 PolarHBondContact O-N 2.96Å; T190-L204 HydrophobicContact CG2-CD1 3.98Å; T190-A211 HydrophobicContact CG2-CB 3.71Å
191T96.4Very high95.7Very high18 Ų1837.2 Ų37.211%0.1119%0.191CC..Hα-helixtrans-62.4-40.1174.9-54.30000111.2V52 L56 R187 L194 K195V52-T191 HydrophobicContact CG1-CG2 3.9Å; L56-T191 HydrophobicContact CD1-CG2 3.77Å; R187-T191 PolarHBondContact O-N 2.94Å; R187-T191 PolarHBondContact O-OG1 2.63Å; R187-T191 VanDerWaalsContact O-OG1 3.11Å; T191-L194 PolarHBondContact O-N 3.07Å; T191-K195 WeakPolarHBondContact O-CB 3.48Å; T191-K195 PolarHBondContact O-N 3.29Å
192F97.4Very high95.4Very high0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-61.4-50177.8169.1-103.2000112.7L56 K68 H71 F75 R188 F189 T190 L194 K195 Y196 L198L56-F192 HydrophobicContact CD1-CB 3.92Å; L56-F192 HydrophobicContact CD2-CB 3.9Å; L56-F192 HydrophobicContact CD2-CD2 4.12Å; L56-F192 HydrophobicContact CD2-CG 4.43Å; K68-F192 HydrophobicContact CB-CE2 4.46Å; K68-F192 HydrophobicContact CB-CZ 4.07Å; K68-F192 HydrophobicContact CG-CE2 4.3Å; K68-F192 HydrophobicContact CG-CZ 4.24Å; H71-F192 HydrophobicContact CB-CD2 4.04Å; H71-F192 HydrophobicContact CB-CE2 3.5Å; H71-F192 VanDerWaalsContact CB-CE2 3.5Å; H71-F192 HydrophobicContact CB-CZ 3.76Å; H71-F192 AromaticContact CG-CE2 3.98Å; F75-F192 HydrophobicContact CD2-CD1 4.11Å; F75-F192 HydrophobicContact CD2-CE1 4.34Å; F75-F192 HydrophobicContact CE2-CB 3.78Å; F75-F192 AromaticContact CE2-CD1 3.5Å; F75-F192 HydrophobicContact CE2-CD1 3.5Å; F75-F192 VanDerWaalsContact CE2-CD1 3.5Å; F75-F192 HydrophobicContact CE2-CD2 4.1Å; F75-F192 HydrophobicContact CE2-CE1 4.04Å; F75-F192 AromaticContact CE2-CG 3.52Å; F75-F192 HydrophobicContact CE2-CG 3.52Å; F75-F192 HydrophobicContact CZ-CB 3.83Å; F75-F192 HydrophobicContact CZ-CD1 4.37Å; F75-F192 HydrophobicContact CZ-CG 4.1Å; R188-F192 WeakPolarHBondContact O-CB 3.19Å; R188-F192 PolarHBondContact O-N 3.04Å; F189-F192 WeakPolarHBondContact O-CB 3.34Å; F189-F192 PolarHBondContact O-N 2.79Å; T190-F192 VanDerWaalsContact C-N 3.31Å; T190-F192 PolarHBondContact O-N 3.34Å; F192-L194 PolarHBondContact O-N 2.86Å; F192-K195 PolarHBondContact O-N 3.05Å; F192-Y196 AromaticContact CD2-CD2 3.4Å; F192-Y196 HydrophobicContact CD2-CD2 3.4Å; F192-Y196 VanDerWaalsContact CD2-CD2 3.4Å; F192-Y196 AromaticContact CD2-CE2 3.77Å; F192-Y196 HydrophobicContact CD2-CE2 3.77Å; F192-Y196 AromaticContact CE2-CD2 3.54Å; F192-Y196 HydrophobicContact CE2-CD2 3.54Å; F192-Y196 AromaticContact CE2-CE2 3.97Å; F192-Y196 HydrophobicContact CE2-CE2 3.97Å; F192-Y196 HydrophobicContact CE2-CG 4.37Å; F192-Y196 HydrophobicContact CG-CD2 4.3Å; F192-Y196 WeakPolarHBondContact O-CD2 3.48Å; F192-Y196 PolarHBondContact O-N 3.23Å; F192-L198 HydrophobicContact CD1-CD1 3.98Å; F192-L198 HydrophobicContact CE1-CD1 3.23Å; F192-L198 HydrophobicContact CE2-CD1 4.42Å; F192-L198 HydrophobicContact CZ-CD1 3.49Å; F192-L198 VanDerWaalsContact CZ-CD1 3.49Å
193V96.8Very high95.1Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-67.1-28.7-177-62.80000112.6C158 F189 T190 N197 L198 M199 L204C158-V193 HydrophobicContact CB-CG1 4.07Å; F189-V193 HydrophobicContact CD1-CG1 4.12Å; F189-V193 HydrophobicContact CE1-CG1 3.59Å; F189-V193 HydrophobicContact CE1-CG2 4.46Å; F189-V193 HydrophobicContact CE2-CG1 4.25Å; F189-V193 HydrophobicContact CZ-CG1 3.68Å; F189-V193 WeakPolarHBondContact O-CG2 3.39Å; F189-V193 PolarHBondContact O-N 3.01Å; T190-V193 VanDerWaalsContact O-CG2 3.29Å; T190-V193 WeakPolarHBondContact O-CG2 3.09Å; T190-V193 PolarHBondContact O-N 3.41Å; V193-N197 CarbonylContact O-C 3.59Å; V193-N197 PolarHBondContact O-N 2.68Å; V193-L198 HydrophobicContact CB-CB 4.18Å; V193-L198 HydrophobicContact CG1-CB 4.3Å; V193-L198 PolarHBondContact O-N 3.19Å; V193-M199 HydrophobicContact CB-CB 4.1Å; V193-M199 HydrophobicContact CB-CG 4.18Å; V193-M199 HydrophobicContact CB-SD 4.39Å; V193-M199 HydrophobicContact CG1-CG 4.39Å; V193-M199 HydrophobicContact CG1-SD 4.18Å; V193-M199 HydrophobicContact CG2-CB 4.17Å; V193-M199 HydrophobicContact CG2-SD 4.4Å; V193-M199 PolarHBondContact O-N 2.91Å; V193-L204 HydrophobicContact CG2-CD1 4.17Å; V193-L204 HydrophobicContact CG2-CD2 4.06Å
194L95.3Very high94.9Very high37 Ų3736.4 Ų36.419%0.19419%0.185CC..Hα-helixtrans-77.6-50.5174.2-70.1177000112T190 T191 F192 Y196 N197 K201 L204 V212T190-L194 HydrophobicContact CG2-CD1 4.42Å; T190-L194 WeakPolarHBondContact O-CG 3.46Å; T190-L194 PolarHBondContact O-N 2.96Å; T191-L194 PolarHBondContact O-N 3.07Å; F192-L194 PolarHBondContact O-N 2.86Å; L194-Y196 PolarHBondContact O-N 3.32Å; L194-Y196 VanDerWaalsContact O-N 3.17Å; L194-N197 PolarHBondContact O-N 3.17Å; L194-N197 VanDerWaalsContact O-N 3.14Å; L194-K201 HydrophobicContact CD2-CB 4.03Å; L194-L204 HydrophobicContact CD1-CD1 3.75Å; L194-L204 HydrophobicContact CD2-CD1 3.51Å; L194-L204 HydrophobicContact CG-CD1 3.54Å; L194-V212 HydrophobicContact CD1-CG2 3.23Å
195K95Very high94.7Very high88 Ų8838.7 Ų38.738%0.38320%0.197SC..Hα-helixtrans-54.2-38.4179.3-177.2172.8-173.7173.30111.9L56 T57 T191 F192L56-K195 HydrophobicContact CB-CD 4.27Å; L56-K195 WeakPolarHBondContact O-CE 3.23Å; L56-K195 PolarHBondContact O-NZ 3.15Å; T57-K195 PolarHBondContact OG1-NZ 3Å; T191-K195 WeakPolarHBondContact O-CB 3.48Å; T191-K195 PolarHBondContact O-N 3.29Å; F192-K195 PolarHBondContact O-N 3.05Å
196Y94.7Very high94.5Very high21 Ų2139 Ų398%0.08220%0.199CC..THydrogen-bonded Turntrans-104.211.2-176.5-68.4-67.1000115L56 E64 W67 K68 F192 L194 L198L56-Y196 PolarHBondContact O-OH 3.19Å; E64-Y196 HydrophobicContact CG-CD1 4.05Å; E64-Y196 HydrophobicContact CG-CE1 3.89Å; W67-Y196 AromaticContact CD1-CE2 3.92Å; W67-Y196 AromaticContact CD1-CZ 3.49Å; W67-Y196 VanDerWaalsContact CD1-CZ 3.49Å; W67-Y196 AromaticContact NE1-CE2 3.84Å; W67-Y196 AromaticContact NE1-CZ 3.57Å; W67-Y196 PolarHBondContact NE1-OH 2.95Å; K68-Y196 HydrophobicContact CD-CD1 4.39Å; K68-Y196 HydrophobicContact CD-CG 4.3Å; K68-Y196 HydrophobicContact CG-CD1 4.2Å; K68-Y196 HydrophobicContact CG-CG 4.03Å; K68-Y196 PolarHBondContact NZ-O 3.33Å; K68-Y196 VanDerWaalsContact NZ-O 3.16Å; F192-Y196 AromaticContact CD2-CD2 3.4Å; F192-Y196 HydrophobicContact CD2-CD2 3.4Å; F192-Y196 VanDerWaalsContact CD2-CD2 3.4Å; F192-Y196 AromaticContact CD2-CE2 3.77Å; F192-Y196 HydrophobicContact CD2-CE2 3.77Å; F192-Y196 AromaticContact CE2-CD2 3.54Å; F192-Y196 HydrophobicContact CE2-CD2 3.54Å; F192-Y196 AromaticContact CE2-CE2 3.97Å; F192-Y196 HydrophobicContact CE2-CE2 3.97Å; F192-Y196 HydrophobicContact CE2-CG 4.37Å; F192-Y196 HydrophobicContact CG-CD2 4.3Å; F192-Y196 WeakPolarHBondContact O-CD2 3.48Å; F192-Y196 PolarHBondContact O-N 3.23Å; L194-Y196 PolarHBondContact O-N 3.32Å; L194-Y196 VanDerWaalsContact O-N 3.17Å; Y196-L198 VanDerWaalsContact C-N 3.29Å; Y196-L198 PolarHBondContact O-N 3.27Å
197N93.8Very high94.1Very high143 Ų14340.9 Ų40.977%0.76521%0.211SC*.THydrogen-bonded Turntrans53.538.8177.4-61.4-63000114.4V193 L194V193-N197 CarbonylContact O-C 3.59Å; V193-N197 PolarHBondContact O-N 2.68Å; L194-N197 PolarHBondContact O-N 3.17Å; L194-N197 VanDerWaalsContact O-N 3.14Å
198L94.6Very high93.5Very high6 Ų639.1 Ų39.13%0.03121%0.206CC..SBendtrans-85.7-20.6179-64.7170.5000112.4K68 L154 D155 F192 V193 Y196K68-L198 HydrophobicContact CD-CD1 4.42Å; K68-L198 HydrophobicContact CD-CD2 4.08Å; K68-L198 HydrophobicContact CD-CG 4.47Å; L154-L198 HydrophobicContact CB-CD2 4.43Å; D155-L198 VanDerWaalsContact OD1-CD2 3.28Å; D155-L198 WeakPolarHBondContact OD1-CD2 3.41Å; F192-L198 HydrophobicContact CD1-CD1 3.98Å; F192-L198 HydrophobicContact CE1-CD1 3.23Å; F192-L198 HydrophobicContact CE2-CD1 4.42Å; F192-L198 HydrophobicContact CZ-CD1 3.49Å; F192-L198 VanDerWaalsContact CZ-CD1 3.49Å; V193-L198 HydrophobicContact CB-CB 4.18Å; V193-L198 HydrophobicContact CG1-CB 4.3Å; V193-L198 PolarHBondContact O-N 3.19Å; Y196-L198 VanDerWaalsContact C-N 3.29Å; Y196-L198 PolarHBondContact O-N 3.27Å
199M94.2Very high92.3Very high16 Ų1643.4 Ų43.48%0.07924%0.242CC..SBendtrans-146145.4176.5-66.1-178.454.700110.5C158 R159 Y162 F189 V193 N203 L204C158-M199 HydrophobicContact CB-CG 4.18Å; C158-M199 HydrophobicContact CB-SD 3.94Å; R159-M199 HydrophobicContact CG-CE 4.12Å; R159-M199 HydrophobicContact CG-CG 4.02Å; R159-M199 HydrophobicContact CG-SD 4.1Å; Y162-M199 HydrophobicContact CD1-CE 3.87Å; Y162-M199 HydrophobicContact CG-CE 3.87Å; Y162-M199 HydrophobicContact CG-SD 4.45Å; F189-M199 HydrophobicContact CE1-SD 4.46Å; V193-M199 HydrophobicContact CB-CB 4.1Å; V193-M199 HydrophobicContact CB-CG 4.18Å; V193-M199 HydrophobicContact CB-SD 4.39Å; V193-M199 HydrophobicContact CG1-CG 4.39Å; V193-M199 HydrophobicContact CG1-SD 4.18Å; V193-M199 HydrophobicContact CG2-CB 4.17Å; V193-M199 HydrophobicContact CG2-SD 4.4Å; V193-M199 PolarHBondContact O-N 2.91Å; M199-N203 HydrophobicContact CE-CB 4.23Å; M199-L204 HydrophobicContact CE-CD2 3.82Å
200S91.9Very high90.8Very high59 Ų5946.5 Ų46.541%0.41327%0.274SS..  trans-71.3145.4169.8-178.10000110.9D202 N203S200-D202 PolarHBondContact O-N 3.21Å; S200-D202 PolarHBondContact OG-N 2.96Å; S200-D202 PolarHBondContact OG-OD2 3Å; S200-N203 PolarHBondContact O-N 3.18Å
201K89.6Confident89Confident72 Ų7247 Ų4731%0.31328%0.279SS..G310 helixtrans-54.7-34.5174-170.9177.7177.8-179.20112.4L194 N203 L204 V212 G214L194-K201 HydrophobicContact CD2-CB 4.03Å; K201-N203 PolarHBondContact O-N 2.91Å; K201-N203 VanDerWaalsContact O-N 3.15Å; K201-L204 WeakPolarHBondContact O-CB 3.45Å; K201-L204 PolarHBondContact O-N 3.26Å; K201-V212 HydrophobicContact CD-CG1 4.24Å; K201-V212 VanDerWaalsContact NZ-CG1 3.33Å; K201-G214 PolarHBondContact NZ-O 3.13Å
202D88.8Confident86.9Confident118 Ų11848.8 Ų48.863%0.63129%0.29SS*.G310 helixtrans-65.8-18.8-179.8-51.8-43.5000113.5S200S200-D202 PolarHBondContact O-N 3.21Å; S200-D202 PolarHBondContact OG-N 2.96Å; S200-D202 PolarHBondContact OG-OD2 3Å
203N90Very high84.2Confident92 Ų9256.7 Ų56.749%0.49233%0.332SS..G310 helixtrans-89.1-4.4176.1-62.5-62.5000112.8Y162 M199 S200 K201Y162-N203 VanDerWaalsContact CE1-O 3.31Å; Y162-N203 WeakPolarHBondContact CE1-O 3.4Å; M199-N203 HydrophobicContact CE-CB 4.23Å; S200-N203 PolarHBondContact O-N 3.18Å; K201-N203 PolarHBondContact O-N 2.91Å; K201-N203 VanDerWaalsContact O-N 3.15Å
204L92.4Very high81.5Confident26 Ų2659.8 Ų59.814%0.13636%0.363CS..  trans-99.193.6-175.6-58.3172.7000109.7Y162 T190 V193 L194 M199 K201Y162-L204 HydrophobicContact CD1-CD2 4.2Å; Y162-L204 HydrophobicContact CD2-CD2 3.9Å; Y162-L204 HydrophobicContact CE1-CD2 3.85Å; Y162-L204 HydrophobicContact CE2-CD2 3.52Å; Y162-L204 HydrophobicContact CG-CD2 4.21Å; Y162-L204 VanDerWaalsContact CZ-CD2 3.49Å; Y162-L204 VanDerWaalsContact OH-C 3.28Å; Y162-L204 WeakPolarHBondContact OH-CA 3.35Å; T190-L204 HydrophobicContact CG2-CD1 3.98Å; V193-L204 HydrophobicContact CG2-CD1 4.17Å; V193-L204 HydrophobicContact CG2-CD2 4.06Å; L194-L204 HydrophobicContact CD1-CD1 3.75Å; L194-L204 HydrophobicContact CD2-CD1 3.51Å; L194-L204 HydrophobicContact CG-CD1 3.54Å; M199-L204 HydrophobicContact CE-CD2 3.82Å; K201-L204 WeakPolarHBondContact O-CB 3.45Å; K201-L204 PolarHBondContact O-N 3.26Å
205I92.5Very high78.7Confident48 Ų4861.1 Ų61.125%0.24638%0.38CS..  trans-89.4-21.6-176.759.2173.9000113.9A100 T101 Y162 Y170 P207A100-I205 HydrophobicContact CB-CD1 3.79Å; T101-I205 HydrophobicContact CG2-CD1 4.31Å; Y162-I205 HydrophobicContact CE1-CG1 4.4Å; Y162-I205 PolarHBondContact OH-N 3.01Å; Y170-I205 HydrophobicContact CD2-CD1 4.44Å; Y170-I205 HydrophobicContact CE2-CB 4.49Å; Y170-I205 HydrophobicContact CE2-CD1 3.72Å; Y170-I205 HydrophobicContact CE2-CG1 3.96Å; Y170-I205 PolarHBondContact OH-O 3.13Å; I205-P207 VanDerWaalsContact O-CD 3.29Å; I205-P207 WeakPolarHBondContact O-CD 3.34Å
206V93.6Very high76.2Confident6 Ų661.2 Ų61.24%0.03639%0.387CS..SBendtrans-73.6117.2177.6-178.80000109Y162 Y169 F176 I208Y162-V206 WeakPolarHBondContact OH-CB 3.4Å; Y162-V206 PolarHBondContact OH-N 3.13Å; Y169-V206 HydrophobicContact CD1-CG1 4.44Å; Y169-V206 HydrophobicContact CD2-CG1 3.58Å; Y169-V206 HydrophobicContact CE2-CG1 4.02Å; Y169-V206 HydrophobicContact CG-CG1 3.8Å; Y169-V206 HydrophobicContact CG-CG2 4.28Å; F176-V206 HydrophobicContact CZ-CG1 4.1Å; V206-I208 HydrophobicContact CG1-CD1 3.89Å; V206-I208 HydrophobicContact CG1-CG1 4.1Å; V206-I208 PolarHBondContact O-N 3.09Å
207P90.1Very high73.5Confident40 Ų4065.7 Ų65.726%0.2641%0.412SS..  trans-73.4116.9177.230-34000110.2Y169 I205 V216Y169-P207 HydrophobicContact CE1-CG 4.09Å; Y169-P207 HydrophobicContact CE2-CG 4.11Å; Y169-P207 VanDerWaalsContact CZ-CG 3.45Å; Y169-P207 WeakPolarHBondContact OH-CD 3.08Å; Y169-P207 WeakPolarHBondContact OH-CG 3.35Å; I205-P207 VanDerWaalsContact O-CD 3.29Å; I205-P207 WeakPolarHBondContact O-CD 3.34Å; P207-V216 HydrophobicContact CB-CB 4.26Å; P207-V216 HydrophobicContact CB-CG1 3.67Å; P207-V216 HydrophobicContact CB-CG2 3.54Å; P207-V216 HydrophobicContact CG-CG1 4.45Å
208I84.1Confident70.8Confident26 Ų2667 Ų6713%0.13341%0.413CS..  trans-121.6119.8175.7-62.8-62.8000108.8F176 C186 R187 V206 A211F176-I208 HydrophobicContact CZ-CD1 4.3Å; C186-I208 HydrophobicContact CB-CD1 4.16Å; R187-I208 HydrophobicContact CB-CG2 3.57Å; R187-I208 HydrophobicContact CG-CG2 3.51Å; V206-I208 HydrophobicContact CG1-CD1 3.89Å; V206-I208 HydrophobicContact CG1-CG1 4.1Å; V206-I208 PolarHBondContact O-N 3.09Å; I208-A211 HydrophobicContact CB-CB 3.93Å; I208-A211 HydrophobicContact CG2-CB 3.7Å; I208-A211 PolarHBondContact O-N 2.81Å
209A72.7Confident68.2Low91 Ų9168.4 Ų68.475%0.75243%0.425SS*.THydrogen-bonded Turntrans-63.8134.3172.500000110.8A211A209-A211 PolarHBondContact O-N 3.45Å
210G65.5Low65.2Low66 Ų6675.4 Ų75.468%0.6846%0.458SS*.THydrogen-bonded Turntrans78.4-7178.300000115.7V212G210-V212 VanDerWaalsContact C-N 3.35Å
211A59.3Low62.6Low14 Ų1481.7 Ų81.712%0.11649%0.485CS..THydrogen-bonded Turntrans-75.2-28.3172.200000112.1T190 I208 A209T190-A211 HydrophobicContact CG2-CB 3.71Å; I208-A211 HydrophobicContact CB-CB 3.93Å; I208-A211 HydrophobicContact CG2-CB 3.7Å; I208-A211 PolarHBondContact O-N 2.81Å; A209-A211 PolarHBondContact O-N 3.45Å
212V52.8Low61.2Low56 Ų5682.2 Ų82.234%0.33949%0.494SS..SBendtrans-155.8121.2174.1-152.80000107.9L194 K201 G210 G214L194-V212 HydrophobicContact CD1-CG2 3.23Å; K201-V212 HydrophobicContact CD-CG1 4.24Å; K201-V212 VanDerWaalsContact NZ-CG1 3.33Å; G210-V212 VanDerWaalsContact C-N 3.35Å; V212-G214 PolarHBondContact O-N 3.25Å
213D41.4Very low59.8Low166 Ų16680.3 Ų80.389%0.88849%0.487SS*.SBendtrans-57108.2165-77.6-34.9000108.2
214G38.3Very low58.1Low64 Ų6479.7 Ų79.766%0.6649%0.486SS*.SBendtrans67.294.517200000115.3K201 V212K201-G214 PolarHBondContact NZ-O 3.13Å; V212-G214 PolarHBondContact O-N 3.25Å
215A36.7Very low56.1Low65 Ų6582.8 Ų82.854%0.53751%0.507SS..  16888.8125.500000107.1
216V42.4Very low53.8Low90 Ų9085 Ų8555%0.54552%0.523SS..  trans-79113.1156.8179.50000104.7P207 E218P207-V216 HydrophobicContact CB-CB 4.26Å; P207-V216 HydrophobicContact CB-CG1 3.67Å; P207-V216 HydrophobicContact CB-CG2 3.54Å; P207-V216 HydrophobicContact CG-CG1 4.45Å; V216-E218 PolarHBondContact O-N 3.04Å
217I39.3Very low51.1Low115 Ų11590.3 Ų90.359%0.5956%0.556SS**  trans-73.3107.8161.2-55.7177.1000103.5A219I217-A219 VanDerWaalsContact C-N 3.31Å; I217-A219 PolarHBondContact O-N 3Å
218E37.1Very low48.4Very low171 Ų17193.9 Ų93.980%0.79958%0.577SS**  trans-54.8103.7168-75.3179.1164.300106.5V216 Q220V216-E218 PolarHBondContact O-N 3.04Å; E218-Q220 PolarHBondContact O-N 2.94Å
219A39.1Very low45.6Very low35 Ų3599.1 Ų99.129%0.28961%0.611SS.*  trans-59109.6172.400000105.8T101 I217 I221T101-A219 HydrophobicContact CG2-CB 4.27Å; I217-A219 VanDerWaalsContact C-N 3.31Å; I217-A219 PolarHBondContact O-N 3Å; A219-I221 PolarHBondContact O-N 3.15Å
220Q32.4Very low43.4Very low163 Ų16399.8 Ų99.876%0.76260%0.599SS**  trans-54.9114.8174.4-76.5177.4-18.400107.4Q103 E218Q103-Q220 PolarHBondContact NE2-O 2.97Å; Q103-Q220 VanDerWaalsContact NE2-O 3.11Å; E218-Q220 PolarHBondContact O-N 2.94Å
221I36.2Very low41.3Very low192 Ų192102.8 Ų102.899%0.98559%0.592SS**  trans-51.40169.2-60.6170.2000108.2A219A219-I221 PolarHBondContact O-N 3.15Å

Retrieved 221 of 221 residues in 57 ms (Link to these results)

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