A0A5K4F2H6_SCHMA Loading...

Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha

AlphaFold DB , UniProt , Accession A0A5K4F2H6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 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
1M38.3Very low71.4Confident212 Ų212122.6 Ų122.6100%1.04459%0.592SS**  0840-67.7-176.1-172.200111
2S38.2Very low73.6Confident110 Ų110121.3 Ų121.377%0.76959%0.59SS**  trans-63.2150163.5179.70000108.6R4S2-R4 PolarHBondContact O-N 3.33Å
3T40.2Very low75.4Confident116 Ų116114.7 Ų114.771%0.71256%0.555SS**  trans-32.7121.4172.4360000111.3E5T3-E5 PolarHBondContact O-N 3.25Å
4R50Low76.9Confident253 Ų253118.1 Ų118.196%0.95557%0.569SS**  trans-57.793.3167.5-89.7-176.8174.7178.5-2.5107.1S2 K6S2-R4 PolarHBondContact O-N 3.33Å; R4-K6 PolarHBondContact O-N 2.9Å
5E65.6Low78.2Confident173 Ų173117.1 Ų117.181%0.80856%0.564SS**PPolyproline II helixtrans-52.9136.6160-69.8-174.2161.100106.5T3 Y7T3-E5 PolarHBondContact O-N 3.25Å; E5-Y7 PolarHBondContact O-N 3Å; E5-Y7 VanDerWaalsContact O-N 3.09Å
6K79.3Confident79.4Confident196 Ų196110.1 Ų110.185%0.85253%0.53SS*.PPolyproline II helixtrans-57.1120.2-175.4-173.2-178.4178.9-173.10108R4 V8R4-K6 PolarHBondContact O-N 2.9Å; K6-V8 PolarHBondContact O-N 2.98Å
7Y88.2Confident80.5Confident61 Ų61110.5 Ų110.524%0.23954%0.535CS..PPolyproline II helixtrans-52.7127.4177.3177.4-94000109.7E5 F9 Y10 E39 D42 F70E5-Y7 PolarHBondContact O-N 3Å; E5-Y7 VanDerWaalsContact O-N 3.09Å; Y7-F9 HydrophobicContact CD1-CD1 4.41Å; Y7-F9 HydrophobicContact CD1-CD2 4.37Å; Y7-F9 HydrophobicContact CD1-CG 4.29Å; Y7-F9 HydrophobicContact CE1-CB 4.26Å; Y7-F9 AromaticContact CE1-CD1 3.82Å; Y7-F9 HydrophobicContact CE1-CD1 3.82Å; Y7-F9 HydrophobicContact CE1-CD2 4.45Å; Y7-F9 HydrophobicContact CE1-CE1 4.25Å; Y7-F9 AromaticContact CE1-CG 3.92Å; Y7-F9 HydrophobicContact CE1-CG 3.92Å; Y7-Y10 WeakPolarHBondContact OH-CD2 3.37Å; Y7-E39 HydrophobicContact CD1-CB 3.79Å; Y7-E39 HydrophobicContact CD1-CG 3.42Å; Y7-E39 VanDerWaalsContact CD1-CG 3.42Å; Y7-E39 HydrophobicContact CE1-CB 3.6Å; Y7-E39 HydrophobicContact CE1-CG 3.72Å; Y7-E39 HydrophobicContact CE2-CB 4.45Å; Y7-E39 HydrophobicContact CG-CB 4.3Å; Y7-E39 HydrophobicContact CG-CG 4Å; Y7-E39 PolarHBondContact OH-O 3.03Å; Y7-D42 PolarHBondContact OH-OD2 3.25Å; Y7-F70 HydrophobicContact CD2-CZ 4.42Å; Y7-F70 HydrophobicContact CE2-CE2 4.13Å; Y7-F70 AromaticContact CE2-CZ 3.93Å; Y7-F70 HydrophobicContact CE2-CZ 3.93Å
8V94.1Very high81.4Confident81 Ų81109.7 Ų109.749%0.49153%0.534SS..PPolyproline II helixtrans-101117.8173.3-177.10000107.1K6 D12 R13K6-V8 PolarHBondContact O-N 2.98Å; V8-D12 HydrophobicContact CG1-CB 4.47Å; V8-R13 HydrophobicContact CG1-CG 3.98Å; V8-R13 PolarHBondContact O-NE 3.43Å; V8-R13 PolarHBondContact O-NH2 2.99Å
9F97Very high82.3Confident37 Ų37104.3 Ų104.316%0.16251%0.508CS..PPolyproline II helixtrans-59.7141.1178.9-67.3-95.2000110.7Y7 K11 D12 R13 E38 E39 D42Y7-F9 HydrophobicContact CD1-CD1 4.41Å; Y7-F9 HydrophobicContact CD1-CD2 4.37Å; Y7-F9 HydrophobicContact CD1-CG 4.29Å; Y7-F9 HydrophobicContact CE1-CB 4.26Å; Y7-F9 AromaticContact CE1-CD1 3.82Å; Y7-F9 HydrophobicContact CE1-CD1 3.82Å; Y7-F9 HydrophobicContact CE1-CD2 4.45Å; Y7-F9 HydrophobicContact CE1-CE1 4.25Å; Y7-F9 AromaticContact CE1-CG 3.92Å; Y7-F9 HydrophobicContact CE1-CG 3.92Å; F9-K11 HydrophobicContact CB-CD 4.28Å; F9-K11 HydrophobicContact CB-CG 3.87Å; F9-K11 PolarHBondContact O-N 2.81Å; F9-D12 WeakPolarHBondContact O-CA 3.47Å; F9-D12 PolarHBondContact O-N 3.43Å; F9-R13 WeakPolarHBondContact O-CG 3.48Å; F9-R13 PolarHBondContact O-N 2.91Å; F9-E38 HydrophobicContact CE1-CB 3.9Å; F9-E38 HydrophobicContact CZ-CB 4.27Å; F9-E39 HydrophobicContact CE1-CG 4.11Å; F9-E39 HydrophobicContact CZ-CG 4.11Å; F9-D42 VanDerWaalsContact CA-OD2 3.26Å; F9-D42 WeakPolarHBondContact CA-OD2 3.39Å; F9-D42 HydrophobicContact CD1-CB 3.69Å; F9-D42 HydrophobicContact CE1-CB 4.37Å
10Y98Very high83Confident0 Ų0103.9 Ų103.90%052%0.517CS..G310 helixtrans-58.1-35.6177-80.2-92000112.1Y7 D12 R13 W16 D42 A43 Y46 L63 D66Y7-Y10 WeakPolarHBondContact OH-CD2 3.37Å; Y10-D12 PolarHBondContact O-N 3.14Å; Y10-D12 VanDerWaalsContact O-N 3.13Å; Y10-R13 PolarHBondContact O-N 3.48Å; Y10-R13 VanDerWaalsContact O-N 3.09Å; Y10-R13 PolarHBondContact OH-NH1 3.23Å; Y10-W16 AromaticContact CD1-CD1 3.62Å; Y10-W16 AromaticContact CD1-CD2 3.88Å; Y10-W16 HydrophobicContact CD1-CD2 3.88Å; Y10-W16 AromaticContact CD1-CE2 3.59Å; Y10-W16 AromaticContact CD1-CG 3.91Å; Y10-W16 HydrophobicContact CD1-CG 3.91Å; Y10-W16 HydrophobicContact CD1-CZ2 4.23Å; Y10-W16 AromaticContact CD1-NE1 3.41Å; Y10-W16 HydrophobicContact CE1-CD2 4.41Å; Y10-W16 AromaticContact CE1-CE2 3.66Å; Y10-W16 AromaticContact CE1-CZ2 3.95Å; Y10-W16 HydrophobicContact CE1-CZ2 3.95Å; Y10-W16 AromaticContact CE1-NE1 3.47Å; Y10-D42 PolarHBondContact N-OD1 3.07Å; Y10-D42 PolarHBondContact N-OD2 3.26Å; Y10-A43 HydrophobicContact CD2-CB 4.04Å; Y10-A43 HydrophobicContact CE2-CB 3.82Å; Y10-Y46 VanDerWaalsContact CB-CE2 3.46Å; Y10-Y46 HydrophobicContact CD1-CG 4.35Å; Y10-Y46 HydrophobicContact CG-CD2 4.09Å; Y10-Y46 HydrophobicContact CG-CG 4.16Å; Y10-L63 HydrophobicContact CD1-CD1 4.28Å; Y10-L63 HydrophobicContact CD2-CD1 4.46Å; Y10-L63 HydrophobicContact CE1-CB 4Å; Y10-L63 HydrophobicContact CE1-CD1 3.56Å; Y10-L63 HydrophobicContact CE1-CG 4.23Å; Y10-L63 HydrophobicContact CE2-CD1 3.77Å; Y10-L63 VanDerWaalsContact OH-CA 3.25Å; Y10-L63 WeakPolarHBondContact OH-CA 3.05Å; Y10-L63 WeakPolarHBondContact OH-CD1 3.44Å; Y10-D66 HydrophobicContact CE2-CB 4.36Å; Y10-D66 WeakPolarHBondContact OH-CB 3.37Å; Y10-D66 VanDerWaalsContact OH-CG 3.3Å; Y10-D66 PolarHBondContact OH-OD2 3.03Å
11K97Very high83.8Confident110 Ų110101.7 Ų101.748%0.47851%0.51SS..G310 helixtrans-60.6-17.1172.277.5-166.1177.3-173.50115.2F9 D42 Y46F9-K11 HydrophobicContact CB-CD 4.28Å; F9-K11 HydrophobicContact CB-CG 3.87Å; F9-K11 PolarHBondContact O-N 2.81Å; K11-D42 PolarHBondContact N-OD1 2.98Å; K11-Y46 VanDerWaalsContact CA-OH 3.29Å; K11-Y46 WeakPolarHBondContact CA-OH 3.33Å; K11-Y46 HydrophobicContact CB-CE2 4.24Å
12D97.1Very high86.6Confident106 Ų10694.7 Ų94.757%0.56748%0.476SS*.G310 helixtrans-107.91.5179.8-57.5-41.3000112V8 F9 Y10V8-D12 HydrophobicContact CG1-CB 4.47Å; F9-D12 WeakPolarHBondContact O-CA 3.47Å; F9-D12 PolarHBondContact O-N 3.43Å; Y10-D12 PolarHBondContact O-N 3.14Å; Y10-D12 VanDerWaalsContact O-N 3.13Å
13R97Very high89.4Confident36 Ų3693.8 Ų93.814%0.13647%0.468CS..  trans-92.1116.4178.1-66.5-179.4-159.1-171.58.5109.6V8 F9 Y10 E15 W16 D66V8-R13 HydrophobicContact CG1-CG 3.98Å; V8-R13 PolarHBondContact O-NE 3.43Å; V8-R13 PolarHBondContact O-NH2 2.99Å; F9-R13 WeakPolarHBondContact O-CG 3.48Å; F9-R13 PolarHBondContact O-N 2.91Å; Y10-R13 PolarHBondContact O-N 3.48Å; Y10-R13 VanDerWaalsContact O-N 3.09Å; Y10-R13 PolarHBondContact OH-NH1 3.23Å; R13-E15 PolarHBondContact O-N 3.05Å; R13-E15 VanDerWaalsContact O-N 3.13Å; R13-W16 PolarHBondContact O-N 3.23Å; R13-D66 IonicContact CZ-OD2 3.59Å; R13-D66 IonicContact NH1-OD2 2.84Å; R13-D66 PolarHBondContact NH1-OD2 3.26Å; R13-D66 IonicContact NH2-OD2 3.56Å; R13-D66 PolarHBondContact NH2-OD2 3.42Å
14Q96.3Very high92.1Very high162 Ų16291.9 Ų91.976%0.75745%0.451SS*.G310 helixtrans-56.7-34-175.8-173-1796.800112.8W16 D17Q14-W16 PolarHBondContact O-N 3.3Å; Q14-W16 VanDerWaalsContact O-N 3.13Å; Q14-D17 WeakPolarHBondContact O-CB 3.34Å; Q14-D17 PolarHBondContact O-N 3.26Å
15E96.8Very high94.2Very high104 Ų10486.8 Ų86.849%0.48644%0.442SS..G310 helixtrans-70.20.4177.171.7-82.5-167.200114.4R13 R59R13-E15 PolarHBondContact O-N 3.05Å; R13-E15 VanDerWaalsContact O-N 3.13Å; E15-R59 PolarHBondContact O-NH1 3.4Å
16W97.9Very high95.4Very high4 Ų481.9 Ų81.92%0.01542%0.421CS..G310 helixtrans-116.82.5175.3-73.794.1000113.8Y10 R13 Q14 D18 V19 Y46 A50 R59 L63Y10-W16 AromaticContact CD1-CD1 3.62Å; Y10-W16 AromaticContact CD1-CD2 3.88Å; Y10-W16 HydrophobicContact CD1-CD2 3.88Å; Y10-W16 AromaticContact CD1-CE2 3.59Å; Y10-W16 AromaticContact CD1-CG 3.91Å; Y10-W16 HydrophobicContact CD1-CG 3.91Å; Y10-W16 HydrophobicContact CD1-CZ2 4.23Å; Y10-W16 AromaticContact CD1-NE1 3.41Å; Y10-W16 HydrophobicContact CE1-CD2 4.41Å; Y10-W16 AromaticContact CE1-CE2 3.66Å; Y10-W16 AromaticContact CE1-CZ2 3.95Å; Y10-W16 HydrophobicContact CE1-CZ2 3.95Å; Y10-W16 AromaticContact CE1-NE1 3.47Å; R13-W16 PolarHBondContact O-N 3.23Å; Q14-W16 PolarHBondContact O-N 3.3Å; Q14-W16 VanDerWaalsContact O-N 3.13Å; W16-D18 PolarHBondContact O-N 2.83Å; W16-D18 VanDerWaalsContact O-N 3.09Å; W16-V19 HydrophobicContact CE3-CB 3.89Å; W16-V19 HydrophobicContact CE3-CG1 4.15Å; W16-V19 HydrophobicContact CE3-CG2 3.71Å; W16-V19 HydrophobicContact CZ3-CB 4.39Å; W16-V19 HydrophobicContact CZ3-CG1 4.27Å; W16-V19 HydrophobicContact CZ3-CG2 4Å; W16-V19 PolarHBondContact O-N 3.08Å; W16-Y46 HydrophobicContact CB-CD1 4.28Å; W16-Y46 HydrophobicContact CB-CE1 3.85Å; W16-Y46 HydrophobicContact CD2-CD1 4.01Å; W16-Y46 HydrophobicContact CD2-CE1 4.47Å; W16-Y46 AromaticContact CE3-CD1 3.47Å; W16-Y46 HydrophobicContact CE3-CD1 3.47Å; W16-Y46 VanDerWaalsContact CE3-CD1 3.47Å; W16-Y46 HydrophobicContact CE3-CE1 4.09Å; W16-Y46 HydrophobicContact CE3-CG 4.39Å; W16-Y46 HydrophobicContact CG-CD1 4.37Å; W16-Y46 HydrophobicContact CG-CE1 4.42Å; W16-Y46 HydrophobicContact CZ3-CD1 4.15Å; W16-A50 HydrophobicContact CH2-CB 4.47Å; W16-A50 HydrophobicContact CZ3-CB 4.5Å; W16-R59 HydrophobicContact CH2-CG 4.37Å; W16-R59 HydrophobicContact CZ2-CB 4.15Å; W16-R59 HydrophobicContact CZ2-CG 4.06Å; W16-L63 HydrophobicContact CH2-CB 4.19Å; W16-L63 HydrophobicContact CH2-CD2 3.38Å; W16-L63 HydrophobicContact CH2-CG 4.42Å; W16-L63 HydrophobicContact CZ2-CB 3.84Å; W16-L63 HydrophobicContact CZ2-CD2 3.81Å; W16-L63 HydrophobicContact CZ2-CG 4.43Å; W16-L63 HydrophobicContact CZ3-CD2 4.1Å
17D97.1Very high95.8Very high118 Ų11874.5 Ų74.563%0.63140%0.401SS*.THydrogen-bonded Turntrans-58.6-23.9-178.9-74.6-13.6000113.8Q14 V19Q14-D17 WeakPolarHBondContact O-CB 3.34Å; Q14-D17 PolarHBondContact O-N 3.26Å; D17-V19 VanDerWaalsContact C-N 3.33Å
18D97.5Very high95.7Very high95 Ų9575.4 Ų75.451%0.50843%0.429SS..THydrogen-bonded Turntrans-84.6-2177.967.4-61.3000114.1W16 R59W16-D18 PolarHBondContact O-N 2.83Å; W16-D18 VanDerWaalsContact O-N 3.09Å; D18-R59 IonicContact OD1-CZ 3.41Å; D18-R59 IonicContact OD1-NH1 2.71Å; D18-R59 PolarHBondContact OD1-NH1 2.91Å; D18-R59 IonicContact OD1-NH2 3.54Å; D18-R59 IonicContact OD2-CZ 3.58Å; D18-R59 IonicContact OD2-NH1 3.4Å; D18-R59 PolarHBondContact OD2-NH1 3.03Å; D18-R59 IonicContact OD2-NH2 2.89Å; D18-R59 PolarHBondContact OD2-NH2 2.8Å
19V97.5Very high95Very high7 Ų782 Ų824%0.04245%0.445CS..  trans-113.1122.2-176.4-1780000110.3W16 D17 P21 Y46 A49W16-V19 HydrophobicContact CE3-CB 3.89Å; W16-V19 HydrophobicContact CE3-CG1 4.15Å; W16-V19 HydrophobicContact CE3-CG2 3.71Å; W16-V19 HydrophobicContact CZ3-CB 4.39Å; W16-V19 HydrophobicContact CZ3-CG1 4.27Å; W16-V19 HydrophobicContact CZ3-CG2 4Å; W16-V19 PolarHBondContact O-N 3.08Å; D17-V19 VanDerWaalsContact C-N 3.33Å; V19-P21 WeakPolarHBondContact O-CD 3.48Å; V19-Y46 HydrophobicContact CB-CD1 4.19Å; V19-Y46 HydrophobicContact CB-CE1 4.08Å; V19-Y46 HydrophobicContact CG1-CD1 3.89Å; V19-Y46 HydrophobicContact CG1-CE1 4.17Å; V19-A49 HydrophobicContact CG1-CB 3.56Å
20S97.6Very high94.2Very high97 Ų9785 Ų8568%0.67846%0.463SS*.  trans-84.2120.6169.4-550000109.8A49S20-A49 VanDerWaalsContact O-CB 3.25Å; S20-A49 WeakPolarHBondContact O-CB 3.29Å
21P98.2Very high93.9Very high57 Ų5790.9 Ų90.937%0.3749%0.493SS..  trans-60.4145.1177.620.3-29.5000111.6V19 D45 Y46V19-P21 WeakPolarHBondContact O-CD 3.48Å; P21-D45 HydrophobicContact CB-CB 3.62Å; P21-Y46 HydrophobicContact CB-CD2 4.14Å; P21-Y46 HydrophobicContact CB-CE2 3.99Å; P21-Y46 HydrophobicContact CG-CE2 4.18Å
22I98.4Very high93.7Very high66 Ų6692.1 Ų92.134%0.33851%0.51SS..  trans-111.7110.5177.5-61.7-178.4000109.1D45 R48 A49 M52I22-D45 PolarHBondContact N-O 3.2Å; I22-D45 WeakPolarHBondContact O-CA 3.25Å; I22-R48 HydrophobicContact CB-CB 3.93Å; I22-R48 HydrophobicContact CG2-CB 4.25Å; I22-R48 WeakPolarHBondContact O-CD 3.49Å; I22-R48 PolarHBondContact O-NE 3.14Å; I22-A49 HydrophobicContact CD1-CB 4.29Å; I22-A49 HydrophobicContact CG1-CB 3.97Å; I22-M52 HydrophobicContact CD1-CB 3.82Å; I22-M52 HydrophobicContact CD1-CG 3.69Å
23P97.3Very high93.5Very high91 Ų9190.9 Ų90.959%0.59150%0.503SS*.  trans-58.5152.5175.9-26.636.3000113.5D25 D45P23-D25 PolarHBondContact O-N 2.85Å; P23-D45 VanDerWaalsContact CA-OD1 3.3Å; P23-D45 WeakPolarHBondContact CA-OD1 3.37Å
24Q96.1Very high93.4Very high76 Ų7693.7 Ų93.736%0.35552%0.52SS..  trans-68.4129.2168.4-171.4161.5-57.300110.4D26 Y36 R48Q24-D26 PolarHBondContact NE2-OD1 3.32Å; Q24-Y36 PolarHBondContact NE2-OH 3Å; Q24-R48 VanDerWaalsContact OE1-NH1 3.14Å
25D94.3Very high93.3Very high146 Ų14691 Ų9178%0.78153%0.526SS*.  trans-92.995.6171.6-177.712.5000110.4P23 G27P23-D25 PolarHBondContact O-N 2.85Å; D25-G27 WeakPolarHBondContact OD1-CA 3.08Å; D25-G27 PolarHBondContact OD1-N 3.43Å
26D90.9Very high93.3Very high69 Ų6989.3 Ų89.337%0.36952%0.515SS..  trans-84.23.9174.5-70.4-36.7000113.1Q24Q24-D26 PolarHBondContact NE2-OD1 3.32Å
27G87.4Confident93.3Very high41 Ų4191.8 Ų91.842%0.42353%0.533SS..  trans62.7-178.7-174.500000114.1D25 R29D25-G27 WeakPolarHBondContact OD1-CA 3.08Å; D25-G27 PolarHBondContact OD1-N 3.43Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 2.64Å
28G86.9Confident93.3Very high81 Ų8192.9 Ų92.984%0.83553%0.534SS*.THydrogen-bonded Turntrans-76.9-9.3-174.500000116.2
29R79.4Confident93.2Very high219 Ų21991.7 Ų91.783%0.82653%0.526SS*.THydrogen-bonded Turntrans-91.8-16.7-172.1-68.8-174-178.81761.4114.4G27 I31G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 2.64Å; R29-I31 VanDerWaalsContact C-N 3.28Å; R29-I31 HydrophobicContact CB-CD1 4.11Å; R29-I31 HydrophobicContact CB-CG1 4.06Å; R29-I31 PolarHBondContact O-N 2.63Å
30N79.9Confident93.2Very high100 Ų10092.9 Ų92.954%0.53553%0.53SS..  trans4843.6177.4-66.8-44.8000114.4N33N30-N33 PolarHBondContact OD1-ND2 3.35Å
31I90.8Very high93.2Very high123 Ų12391 Ų9163%0.63151%0.514SS*.THydrogen-bonded Turntrans-84.3133.2178.2-59.7171.5000108.2R29 N33R29-I31 VanDerWaalsContact C-N 3.28Å; R29-I31 HydrophobicContact CB-CD1 4.11Å; R29-I31 HydrophobicContact CB-CG1 4.06Å; R29-I31 PolarHBondContact O-N 2.63Å; I31-N33 PolarHBondContact O-N 2.92Å; I31-N33 VanDerWaalsContact O-N 3.11Å
32V93.8Very high93.2Very high137 Ų13788.9 Ų88.983%0.8350%0.5SS*.THydrogen-bonded Turntrans50.431.2-178.2-60.80000114.2I34V32-I34 PolarHBondContact O-N 2.99Å
33N91.8Very high93.2Very high79 Ų7985.7 Ų85.742%0.42248%0.484SS..  trans-64.1129.3176.9-169.9-28.1000109.8N30 I31N30-N33 PolarHBondContact OD1-ND2 3.35Å; I31-N33 PolarHBondContact O-N 2.92Å; I31-N33 VanDerWaalsContact O-N 3.11Å
34I95.1Very high93.3Very high95 Ų9581.8 Ų81.849%0.48746%0.458SS..  trans-95.4127-178.9-59.7169.3000108V32 Y36V32-I34 PolarHBondContact O-N 2.99Å; I34-Y36 HydrophobicContact CB-CD1 3.96Å; I34-Y36 HydrophobicContact CB-CE1 3.5Å; I34-Y36 HydrophobicContact CB-CE2 4.1Å; I34-Y36 HydrophobicContact CB-CG 4.45Å; I34-Y36 HydrophobicContact CD1-CE1 3.85Å; I34-Y36 HydrophobicContact CG1-CE1 4.25Å; I34-Y36 HydrophobicContact CG2-CD1 3.53Å; I34-Y36 HydrophobicContact CG2-CE1 3.48Å; I34-Y36 VanDerWaalsContact CG2-CE1 3.48Å; I34-Y36 HydrophobicContact CG2-CG 4.2Å; I34-Y36 WeakPolarHBondContact O-CD2 3.37Å; I34-Y36 WeakPolarHBondContact O-CE2 3.44Å; I34-Y36 PolarHBondContact O-N 3.22Å
35A94.9Very high93.4Very high107 Ų10779.3 Ų79.388%0.88445%0.447SS*.  trans-73.679170.500000110.1
36Y96.5Very high93.6Very high68 Ų6873 Ų7327%0.26741%0.412SS..  trans-63.7152.5179.1-56.3-66.9000112.1Q24 I34 F40 V41Q24-Y36 PolarHBondContact NE2-OH 3Å; I34-Y36 HydrophobicContact CB-CD1 3.96Å; I34-Y36 HydrophobicContact CB-CE1 3.5Å; I34-Y36 HydrophobicContact CB-CE2 4.1Å; I34-Y36 HydrophobicContact CB-CG 4.45Å; I34-Y36 HydrophobicContact CD1-CE1 3.85Å; I34-Y36 HydrophobicContact CG1-CE1 4.25Å; I34-Y36 HydrophobicContact CG2-CD1 3.53Å; I34-Y36 HydrophobicContact CG2-CE1 3.48Å; I34-Y36 VanDerWaalsContact CG2-CE1 3.48Å; I34-Y36 HydrophobicContact CG2-CG 4.2Å; I34-Y36 WeakPolarHBondContact O-CD2 3.37Å; I34-Y36 WeakPolarHBondContact O-CE2 3.44Å; I34-Y36 PolarHBondContact O-N 3.22Å; Y36-F40 AromaticContact CD1-CD1 3.28Å; Y36-F40 HydrophobicContact CD1-CD1 3.28Å; Y36-F40 HydrophobicContact CD1-CD2 4.42Å; Y36-F40 AromaticContact CD1-CE1 3.22Å; Y36-F40 HydrophobicContact CD1-CE1 3.22Å; Y36-F40 HydrophobicContact CD1-CE2 4.36Å; Y36-F40 AromaticContact CD1-CG 3.93Å; Y36-F40 HydrophobicContact CD1-CG 3.93Å; Y36-F40 AromaticContact CD1-CZ 3.8Å; Y36-F40 HydrophobicContact CD1-CZ 3.8Å; Y36-F40 HydrophobicContact CD2-CD1 4.36Å; Y36-F40 HydrophobicContact CD2-CE1 4.44Å; Y36-F40 AromaticContact CE1-CD1 3.94Å; Y36-F40 HydrophobicContact CE1-CD1 3.94Å; Y36-F40 AromaticContact CE1-CE1 3.35Å; Y36-F40 HydrophobicContact CE1-CE1 3.35Å; Y36-F40 AromaticContact CE1-CZ 3.73Å; Y36-F40 HydrophobicContact CE1-CZ 3.73Å; Y36-F40 AromaticContact CG-CD1 3.54Å; Y36-F40 HydrophobicContact CG-CD1 3.54Å; Y36-F40 AromaticContact CG-CE1 3.82Å; Y36-F40 HydrophobicContact CG-CE1 3.82Å; Y36-F40 HydrophobicContact CG-CG 4.31Å; Y36-V41 HydrophobicContact CD2-CG2 4.4Å; Y36-V41 HydrophobicContact CG-CG2 4.44Å
37S97Very high94Very high55 Ų5570.1 Ų70.139%0.38540%0.397SS..  trans-70.6159.1168.2840000110.8E39 F40 V41S37-E39 WeakPolarHBondContact CB-OE2 3.22Å; S37-E39 PolarHBondContact O-N 2.86Å; S37-E39 PolarHBondContact OG-OE2 3.31Å; S37-F40 WeakPolarHBondContact O-CB 3.5Å; S37-F40 PolarHBondContact O-N 2.65Å; S37-F40 VanDerWaalsContact O-N 3.15Å; S37-F40 PolarHBondContact OG-N 2.93Å; S37-V41 WeakPolarHBondContact O-CG2 3.25Å; S37-V41 PolarHBondContact O-N 3.36Å
38E97.1Very high94.5Very high141 Ų14170.3 Ų70.366%0.65938%0.384SS*.Hα-helixtrans-59.5-37178.6-64.8-173.5176.300111.7F9 V41 D42F9-E38 HydrophobicContact CE1-CB 3.9Å; F9-E38 HydrophobicContact CZ-CB 4.27Å; E38-V41 PolarHBondContact O-N 3.44Å; E38-D42 VanDerWaalsContact O-CB 3.27Å; E38-D42 WeakPolarHBondContact O-CB 3.45Å; E38-D42 PolarHBondContact O-N 3.32Å
39E97.1Very high95.1Very high71 Ų7166.5 Ų66.533%0.33235%0.345SS..Hα-helixtrans-66.3-40177.4-53.386168.800111.7Y7 F9 S37 A43 F70Y7-E39 HydrophobicContact CD1-CB 3.79Å; Y7-E39 HydrophobicContact CD1-CG 3.42Å; Y7-E39 VanDerWaalsContact CD1-CG 3.42Å; Y7-E39 HydrophobicContact CE1-CB 3.6Å; Y7-E39 HydrophobicContact CE1-CG 3.72Å; Y7-E39 HydrophobicContact CE2-CB 4.45Å; Y7-E39 HydrophobicContact CG-CB 4.3Å; Y7-E39 HydrophobicContact CG-CG 4Å; Y7-E39 PolarHBondContact OH-O 3.03Å; F9-E39 HydrophobicContact CE1-CG 4.11Å; F9-E39 HydrophobicContact CZ-CG 4.11Å; S37-E39 WeakPolarHBondContact CB-OE2 3.22Å; S37-E39 PolarHBondContact O-N 2.86Å; S37-E39 PolarHBondContact OG-OE2 3.31Å; E39-A43 PolarHBondContact O-N 3.06Å; E39-F70 HydrophobicContact CB-CE1 4.1Å; E39-F70 HydrophobicContact CB-CZ 3.75Å
40F97.7Very high96Very high31 Ų3156.1 Ų56.114%0.13631%0.306CS..Hα-helixtrans-63.4-46.9176.3-175.6-74.9000110.7Y36 S37 H44 F70 N71Y36-F40 AromaticContact CD1-CD1 3.28Å; Y36-F40 HydrophobicContact CD1-CD1 3.28Å; Y36-F40 HydrophobicContact CD1-CD2 4.42Å; Y36-F40 AromaticContact CD1-CE1 3.22Å; Y36-F40 HydrophobicContact CD1-CE1 3.22Å; Y36-F40 HydrophobicContact CD1-CE2 4.36Å; Y36-F40 AromaticContact CD1-CG 3.93Å; Y36-F40 HydrophobicContact CD1-CG 3.93Å; Y36-F40 AromaticContact CD1-CZ 3.8Å; Y36-F40 HydrophobicContact CD1-CZ 3.8Å; Y36-F40 HydrophobicContact CD2-CD1 4.36Å; Y36-F40 HydrophobicContact CD2-CE1 4.44Å; Y36-F40 AromaticContact CE1-CD1 3.94Å; Y36-F40 HydrophobicContact CE1-CD1 3.94Å; Y36-F40 AromaticContact CE1-CE1 3.35Å; Y36-F40 HydrophobicContact CE1-CE1 3.35Å; Y36-F40 AromaticContact CE1-CZ 3.73Å; Y36-F40 HydrophobicContact CE1-CZ 3.73Å; Y36-F40 AromaticContact CG-CD1 3.54Å; Y36-F40 HydrophobicContact CG-CD1 3.54Å; Y36-F40 AromaticContact CG-CE1 3.82Å; Y36-F40 HydrophobicContact CG-CE1 3.82Å; Y36-F40 HydrophobicContact CG-CG 4.31Å; S37-F40 WeakPolarHBondContact O-CB 3.5Å; S37-F40 PolarHBondContact O-N 2.65Å; S37-F40 VanDerWaalsContact O-N 3.15Å; S37-F40 PolarHBondContact OG-N 2.93Å; F40-H44 HydrophobicContact CD1-CB 4.48Å; F40-H44 AromaticContact CD1-CE1 3.95Å; F40-H44 AromaticContact CD1-CG 3.98Å; F40-H44 AromaticContact CD1-ND1 3.52Å; F40-H44 AromaticContact CD2-CE1 3.63Å; F40-H44 AromaticContact CD2-ND1 3.9Å; F40-H44 HydrophobicContact CE1-CB 4.3Å; F40-H44 AromaticContact CE1-CD2 3.84Å; F40-H44 AromaticContact CE1-CE1 3.61Å; F40-H44 AromaticContact CE1-CG 3.61Å; F40-H44 AromaticContact CE1-ND1 3.46Å; F40-H44 WeakPolarHBondContact CE1-ND1 3.31Å; F40-H44 AromaticContact CE1-NE2 3.85Å; F40-H44 AromaticContact CE2-CE1 3.27Å; F40-H44 WeakPolarHBondContact CE2-CE1 3.49Å; F40-H44 AromaticContact CE2-ND1 3.86Å; F40-H44 AromaticContact CE2-NE2 3.74Å; F40-H44 AromaticContact CG-CE1 3.96Å; F40-H44 AromaticContact CG-ND1 3.74Å; F40-H44 AromaticContact CZ-CD2 3.82Å; F40-H44 AromaticContact CZ-CE1 3.25Å; F40-H44 WeakPolarHBondContact CZ-CE1 3.34Å; F40-H44 AromaticContact CZ-CG 3.97Å; F40-H44 AromaticContact CZ-ND1 3.63Å; F40-H44 AromaticContact CZ-NE2 3.36Å; F40-H44 WeakPolarHBondContact CZ-NE2 3.4Å; F40-H44 VanDerWaalsContact O-CB 3.29Å; F40-H44 WeakPolarHBondContact O-CB 3.49Å; F40-H44 PolarHBondContact O-N 3.5Å; F40-H44 PolarHBondContact O-ND1 3.32Å; F40-F70 HydrophobicContact CB-CD1 4.44Å; F40-F70 HydrophobicContact CD2-CB 3.81Å; F40-F70 HydrophobicContact CD2-CD1 4.16Å; F40-F70 HydrophobicContact CD2-CG 4.07Å; F40-F70 HydrophobicContact CE2-CB 4.03Å; F40-N71 HydrophobicContact CE2-CB 4.47Å
41V97.8Very high96.9Very high57 Ų5754.4 Ų54.435%0.34530%0.297SS..Hα-helixtrans-60.6-50.2178.8175.20000110.3Y36 S37 E38 H44 D45Y36-V41 HydrophobicContact CD2-CG2 4.4Å; Y36-V41 HydrophobicContact CG-CG2 4.44Å; S37-V41 WeakPolarHBondContact O-CG2 3.25Å; S37-V41 PolarHBondContact O-N 3.36Å; E38-V41 PolarHBondContact O-N 3.44Å; V41-H44 PolarHBondContact O-N 3.18Å; V41-D45 WeakPolarHBondContact O-CB 3.18Å; V41-D45 VanDerWaalsContact O-CG 3.26Å; V41-D45 PolarHBondContact O-N 3.26Å
42D98.2Very high97.2Very high13 Ų1355.5 Ų55.57%0.0730%0.301CS..Hα-helixtrans-55.2-56.7179.2169.879.6000111.7Y7 F9 Y10 K11 E38 H44 D45 Y46Y7-D42 PolarHBondContact OH-OD2 3.25Å; F9-D42 VanDerWaalsContact CA-OD2 3.26Å; F9-D42 WeakPolarHBondContact CA-OD2 3.39Å; F9-D42 HydrophobicContact CD1-CB 3.69Å; F9-D42 HydrophobicContact CE1-CB 4.37Å; Y10-D42 PolarHBondContact N-OD1 3.07Å; Y10-D42 PolarHBondContact N-OD2 3.26Å; K11-D42 PolarHBondContact N-OD1 2.98Å; E38-D42 VanDerWaalsContact O-CB 3.27Å; E38-D42 WeakPolarHBondContact O-CB 3.45Å; E38-D42 PolarHBondContact O-N 3.32Å; D42-H44 PolarHBondContact O-N 2.98Å; D42-D45 PolarHBondContact O-N 3.46Å; D42-Y46 WeakPolarHBondContact O-CD2 3.48Å; D42-Y46 PolarHBondContact O-N 3Å
43A98.3Very high97.3Very high0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-59.8-45.1179.300000112.3Y10 E39 D45 Y46 F47 I67 F70Y10-A43 HydrophobicContact CD2-CB 4.04Å; Y10-A43 HydrophobicContact CE2-CB 3.82Å; E39-A43 PolarHBondContact O-N 3.06Å; A43-D45 VanDerWaalsContact C-N 3.34Å; A43-D45 PolarHBondContact O-N 3.03Å; A43-Y46 PolarHBondContact O-N 3.27Å; A43-F47 WeakPolarHBondContact O-CB 3.19Å; A43-F47 PolarHBondContact O-N 3.47Å; A43-I67 HydrophobicContact CB-CD1 3.86Å; A43-F70 HydrophobicContact CB-CD2 4.04Å; A43-F70 HydrophobicContact CB-CE2 3.63Å
44H98.5Very high97.6Very high8 Ų854.8 Ų54.84%0.03729%0.286CS..Hα-helixtrans-70.8-28.3-176-75.374000113.1F40 V41 D42 F47 R48 I67F40-H44 HydrophobicContact CD1-CB 4.48Å; F40-H44 AromaticContact CD1-CE1 3.95Å; F40-H44 AromaticContact CD1-CG 3.98Å; F40-H44 AromaticContact CD1-ND1 3.52Å; F40-H44 AromaticContact CD2-CE1 3.63Å; F40-H44 AromaticContact CD2-ND1 3.9Å; F40-H44 HydrophobicContact CE1-CB 4.3Å; F40-H44 AromaticContact CE1-CD2 3.84Å; F40-H44 AromaticContact CE1-CE1 3.61Å; F40-H44 AromaticContact CE1-CG 3.61Å; F40-H44 AromaticContact CE1-ND1 3.46Å; F40-H44 WeakPolarHBondContact CE1-ND1 3.31Å; F40-H44 AromaticContact CE1-NE2 3.85Å; F40-H44 AromaticContact CE2-CE1 3.27Å; F40-H44 WeakPolarHBondContact CE2-CE1 3.49Å; F40-H44 AromaticContact CE2-ND1 3.86Å; F40-H44 AromaticContact CE2-NE2 3.74Å; F40-H44 AromaticContact CG-CE1 3.96Å; F40-H44 AromaticContact CG-ND1 3.74Å; F40-H44 AromaticContact CZ-CD2 3.82Å; F40-H44 AromaticContact CZ-CE1 3.25Å; F40-H44 WeakPolarHBondContact CZ-CE1 3.34Å; F40-H44 AromaticContact CZ-CG 3.97Å; F40-H44 AromaticContact CZ-ND1 3.63Å; F40-H44 AromaticContact CZ-NE2 3.36Å; F40-H44 WeakPolarHBondContact CZ-NE2 3.4Å; F40-H44 VanDerWaalsContact O-CB 3.29Å; F40-H44 WeakPolarHBondContact O-CB 3.49Å; F40-H44 PolarHBondContact O-N 3.5Å; F40-H44 PolarHBondContact O-ND1 3.32Å; V41-H44 PolarHBondContact O-N 3.18Å; D42-H44 PolarHBondContact O-N 2.98Å; H44-F47 PolarHBondContact O-N 3.37Å; H44-R48 VanDerWaalsContact C-NH2 3.33Å; H44-R48 WeakPolarHBondContact O-CG 2.93Å; H44-R48 VanDerWaalsContact O-CZ 3.25Å; H44-R48 PolarHBondContact O-N 2.93Å; H44-R48 PolarHBondContact O-NE 2.91Å; H44-I67 HydrophobicContact CB-CD1 4.4Å
45D98.6Very high97.7Very high24 Ų2451.9 Ų51.913%0.12827%0.27CS..Hα-helixtrans-67.3-42.3173.6-77.4-0.2000111.5P21 I22 P23 V41 D42 A43 R48 A49P21-D45 HydrophobicContact CB-CB 3.62Å; I22-D45 PolarHBondContact N-O 3.2Å; I22-D45 WeakPolarHBondContact O-CA 3.25Å; P23-D45 VanDerWaalsContact CA-OD1 3.3Å; P23-D45 WeakPolarHBondContact CA-OD1 3.37Å; V41-D45 WeakPolarHBondContact O-CB 3.18Å; V41-D45 VanDerWaalsContact O-CG 3.26Å; V41-D45 PolarHBondContact O-N 3.26Å; D42-D45 PolarHBondContact O-N 3.46Å; A43-D45 VanDerWaalsContact C-N 3.34Å; A43-D45 PolarHBondContact O-N 3.03Å; D45-R48 PolarHBondContact O-N 3Å; D45-R48 IonicContact OD1-CZ 2.94Å; D45-R48 IonicContact OD1-NE 2.73Å; D45-R48 IonicContact OD1-NH2 3.95Å; D45-R48 PolarHBondContact OD1-NH2 2.97Å; D45-A49 PolarHBondContact O-N 3.48Å
46Y98.7Very high97.8Very high14 Ų1450.8 Ų50.86%0.05524%0.244CC..Hα-helixtrans-68.4-36.1173.6-81.9-87000111.9Y10 K11 W16 V19 P21 D42 A43 A49 A50Y10-Y46 VanDerWaalsContact CB-CE2 3.46Å; Y10-Y46 HydrophobicContact CD1-CG 4.35Å; Y10-Y46 HydrophobicContact CG-CD2 4.09Å; Y10-Y46 HydrophobicContact CG-CG 4.16Å; K11-Y46 VanDerWaalsContact CA-OH 3.29Å; K11-Y46 WeakPolarHBondContact CA-OH 3.33Å; K11-Y46 HydrophobicContact CB-CE2 4.24Å; W16-Y46 HydrophobicContact CB-CD1 4.28Å; W16-Y46 HydrophobicContact CB-CE1 3.85Å; W16-Y46 HydrophobicContact CD2-CD1 4.01Å; W16-Y46 HydrophobicContact CD2-CE1 4.47Å; W16-Y46 AromaticContact CE3-CD1 3.47Å; W16-Y46 HydrophobicContact CE3-CD1 3.47Å; W16-Y46 VanDerWaalsContact CE3-CD1 3.47Å; W16-Y46 HydrophobicContact CE3-CE1 4.09Å; W16-Y46 HydrophobicContact CE3-CG 4.39Å; W16-Y46 HydrophobicContact CG-CD1 4.37Å; W16-Y46 HydrophobicContact CG-CE1 4.42Å; W16-Y46 HydrophobicContact CZ3-CD1 4.15Å; V19-Y46 HydrophobicContact CB-CD1 4.19Å; V19-Y46 HydrophobicContact CB-CE1 4.08Å; V19-Y46 HydrophobicContact CG1-CD1 3.89Å; V19-Y46 HydrophobicContact CG1-CE1 4.17Å; P21-Y46 HydrophobicContact CB-CD2 4.14Å; P21-Y46 HydrophobicContact CB-CE2 3.99Å; P21-Y46 HydrophobicContact CG-CE2 4.18Å; D42-Y46 WeakPolarHBondContact O-CD2 3.48Å; D42-Y46 PolarHBondContact O-N 3Å; A43-Y46 PolarHBondContact O-N 3.27Å; Y46-A49 WeakPolarHBondContact O-CB 3.26Å; Y46-A49 PolarHBondContact O-N 3.04Å; Y46-A50 WeakPolarHBondContact O-CB 3.41Å; Y46-A50 PolarHBondContact O-N 3.35Å
47F98.6Very high97.9Very high9 Ų948.9 Ų48.94%0.03924%0.24CC..Hα-helixtrans-61.9-44.3173.7175.2-103.4000111.9A43 H44 A49 A50 L51 L63 T64 I67 T76 A77 Y80A43-F47 WeakPolarHBondContact O-CB 3.19Å; A43-F47 PolarHBondContact O-N 3.47Å; H44-F47 PolarHBondContact O-N 3.37Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 3.38Å; F47-A50 PolarHBondContact O-N 2.97Å; F47-L51 HydrophobicContact CE1-CD2 4.23Å; F47-L51 HydrophobicContact CZ-CD2 4.42Å; F47-L51 WeakPolarHBondContact O-CB 3.35Å; F47-L51 PolarHBondContact O-N 3.24Å; F47-L63 HydrophobicContact CB-CD1 4.42Å; F47-L63 HydrophobicContact CB-CD2 4.3Å; F47-L63 HydrophobicContact CB-CG 4.44Å; F47-T64 HydrophobicContact CE2-CG2 4.27Å; F47-I67 HydrophobicContact CB-CD1 3.59Å; F47-I67 HydrophobicContact CB-CG1 3.76Å; F47-I67 HydrophobicContact CD2-CG1 3.88Å; F47-I67 HydrophobicContact CG-CD1 4.07Å; F47-I67 HydrophobicContact CG-CG1 3.87Å; F47-T76 HydrophobicContact CE1-CG2 4.47Å; F47-T76 HydrophobicContact CZ-CG2 4.35Å; F47-A77 HydrophobicContact CE2-CB 4.01Å; F47-A77 HydrophobicContact CZ-CB 3.83Å; F47-Y80 AromaticContact CE2-CD1 3.82Å; F47-Y80 HydrophobicContact CE2-CD1 3.82Å; F47-Y80 HydrophobicContact CZ-CD1 4.45Å
48R98.7Very high97.9Very high44 Ų4453.8 Ų53.817%0.16626%0.257CS..Hα-helixtrans-60.3-42.3172.8-78.5178.5-79.1-88.20.9111.7I22 Q24 H44 D45 L51 M52I22-R48 HydrophobicContact CB-CB 3.93Å; I22-R48 HydrophobicContact CG2-CB 4.25Å; I22-R48 WeakPolarHBondContact O-CD 3.49Å; I22-R48 PolarHBondContact O-NE 3.14Å; Q24-R48 VanDerWaalsContact OE1-NH1 3.14Å; H44-R48 VanDerWaalsContact C-NH2 3.33Å; H44-R48 WeakPolarHBondContact O-CG 2.93Å; H44-R48 VanDerWaalsContact O-CZ 3.25Å; H44-R48 PolarHBondContact O-N 2.93Å; H44-R48 PolarHBondContact O-NE 2.91Å; D45-R48 PolarHBondContact O-N 3Å; D45-R48 IonicContact OD1-CZ 2.94Å; D45-R48 IonicContact OD1-NE 2.73Å; D45-R48 IonicContact OD1-NH2 3.95Å; D45-R48 PolarHBondContact OD1-NH2 2.97Å; R48-L51 PolarHBondContact O-N 3.32Å; R48-M52 WeakPolarHBondContact O-CB 3.37Å; R48-M52 VanDerWaalsContact O-CG 3.26Å; R48-M52 WeakPolarHBondContact O-CG 3.43Å; R48-M52 PolarHBondContact O-N 3.48Å
49A98.5Very high97.8Very high2 Ų250.1 Ų50.12%0.01724%0.237CC..Hα-helixtrans-61.8-47.7177.400000112.7V19 S20 I22 D45 Y46 F47 M52 K53V19-A49 HydrophobicContact CG1-CB 3.56Å; S20-A49 VanDerWaalsContact O-CB 3.25Å; S20-A49 WeakPolarHBondContact O-CB 3.29Å; I22-A49 HydrophobicContact CD1-CB 4.29Å; I22-A49 HydrophobicContact CG1-CB 3.97Å; D45-A49 PolarHBondContact O-N 3.48Å; Y46-A49 WeakPolarHBondContact O-CB 3.26Å; Y46-A49 PolarHBondContact O-N 3.04Å; F47-A49 VanDerWaalsContact C-N 3.32Å; F47-A49 PolarHBondContact O-N 3.38Å; A49-M52 PolarHBondContact O-N 2.88Å; A49-K53 PolarHBondContact O-N 3.38Å
50A98.3Very high97.9Very high0 Ų046.7 Ų46.70%022%0.221CC..Hα-helixtrans-63.6-44.6177.400000111.5W16 Y46 F47 M52 K53 D54 E55 T60 L63 Y80W16-A50 HydrophobicContact CH2-CB 4.47Å; W16-A50 HydrophobicContact CZ3-CB 4.5Å; Y46-A50 WeakPolarHBondContact O-CB 3.41Å; Y46-A50 PolarHBondContact O-N 3.35Å; F47-A50 PolarHBondContact O-N 2.97Å; A50-M52 PolarHBondContact O-N 3.17Å; A50-K53 CarbonylContact O-C 3.46Å; A50-K53 PolarHBondContact O-N 2.75Å; A50-D54 PolarHBondContact O-N 3.24Å; A50-E55 PolarHBondContact O-N 2.89Å; A50-E55 VanDerWaalsContact O-N 3.11Å; A50-T60 HydrophobicContact CB-CG2 3.77Å; A50-L63 HydrophobicContact CB-CD2 4.23Å; A50-Y80 HydrophobicContact CB-CE1 4.48Å; A50-Y80 PolarHBondContact O-OH 3.37Å; A50-Y80 VanDerWaalsContact O-OH 3.12Å
51L98Very high97.9Very high65 Ų6546.3 Ų46.334%0.3422%0.22SC..Hα-helixtrans-62.3-42.4178.3-17665.6000112.2F47 R48 K53 D54 T76 Y80F47-L51 HydrophobicContact CE1-CD2 4.23Å; F47-L51 HydrophobicContact CZ-CD2 4.42Å; F47-L51 WeakPolarHBondContact O-CB 3.35Å; F47-L51 PolarHBondContact O-N 3.24Å; R48-L51 PolarHBondContact O-N 3.32Å; L51-K53 VanDerWaalsContact C-N 3.25Å; L51-K53 PolarHBondContact O-N 3.43Å; L51-D54 PolarHBondContact O-N 2.98Å; L51-D54 VanDerWaalsContact O-N 3.13Å; L51-T76 HydrophobicContact CD2-CG2 3.81Å; L51-Y80 HydrophobicContact CB-CE1 4.44Å; L51-Y80 HydrophobicContact CD1-CD1 4Å; L51-Y80 HydrophobicContact CD1-CD2 3.83Å; L51-Y80 HydrophobicContact CD1-CE1 4.29Å; L51-Y80 HydrophobicContact CD1-CE2 4.15Å; L51-Y80 HydrophobicContact CD1-CG 3.76Å
52M97.3Very high97.8Very high145 Ų14546.6 Ų46.671%0.71423%0.225SC*.Hα-helixtrans-64.4-29.5177.6-79.3-63.1-58.700113.1I22 R48 A49 A50I22-M52 HydrophobicContact CD1-CB 3.82Å; I22-M52 HydrophobicContact CD1-CG 3.69Å; R48-M52 WeakPolarHBondContact O-CB 3.37Å; R48-M52 VanDerWaalsContact O-CG 3.26Å; R48-M52 WeakPolarHBondContact O-CG 3.43Å; R48-M52 PolarHBondContact O-N 3.48Å; A49-M52 PolarHBondContact O-N 2.88Å; A50-M52 PolarHBondContact O-N 3.17Å
53K97Very high97.8Very high129 Ų12946 Ų4656%0.56122%0.221SC*.Hα-helixtrans-88.7-8.4175.1-69.2-175.9-179.5179.10113.6A49 A50 L51 E55A49-K53 PolarHBondContact O-N 3.38Å; A50-K53 CarbonylContact O-C 3.46Å; A50-K53 PolarHBondContact O-N 2.75Å; L51-K53 VanDerWaalsContact C-N 3.25Å; L51-K53 PolarHBondContact O-N 3.43Å; K53-E55 PolarHBondContact O-N 2.77Å
54D97.6Very high97.8Very high72 Ų7246 Ų4639%0.38522%0.221SC..THydrogen-bonded Turntrans48.243.3-167-165.824.4000111.9A50 L51 R56 Y80A50-D54 PolarHBondContact O-N 3.24Å; L51-D54 PolarHBondContact O-N 2.98Å; L51-D54 VanDerWaalsContact O-N 3.13Å; D54-R56 PolarHBondContact O-N 2.94Å; D54-R56 IonicContact OD1-CZ 3.27Å; D54-R56 IonicContact OD1-NE 3.81Å; D54-R56 PolarHBondContact OD1-NE 3.24Å; D54-R56 IonicContact OD1-NH2 3.44Å; D54-R56 PolarHBondContact OD1-NH2 3.47Å; D54-R56 IonicContact OD2-CZ 3.14Å; D54-R56 IonicContact OD2-NE 2.69Å; D54-R56 IonicContact OD2-NH2 2.66Å; D54-R56 PolarHBondContact OD2-NH2 3.35Å; D54-Y80 VanDerWaalsContact C-OH 3.28Å; D54-Y80 WeakPolarHBondContact OD1-CE2 3.42Å
55E97.8Very high97.7Very high34 Ų3446.6 Ų46.616%0.15923%0.227CC..  trans-71.5104.8178-169.1-166.2123.100112.2A50 K53 S57 R59 T60 Y80A50-E55 PolarHBondContact O-N 2.89Å; A50-E55 VanDerWaalsContact O-N 3.11Å; K53-E55 PolarHBondContact O-N 2.77Å; E55-S57 PolarHBondContact O-N 2.88Å; E55-S57 WeakPolarHBondContact OE1-CB 3.3Å; E55-S57 PolarHBondContact OE1-OG 2.97Å; E55-R59 WeakPolarHBondContact OE1-CG 3.33Å; E55-R59 IonicContact OE1-CZ 3Å; E55-R59 IonicContact OE1-NE 3.42Å; E55-R59 PolarHBondContact OE1-NE 2.79Å; E55-R59 IonicContact OE1-NH2 3.33Å; E55-R59 PolarHBondContact OE1-NH2 3.1Å; E55-R59 IonicContact OE2-CZ 3.4Å; E55-R59 IonicContact OE2-NE 3.66Å; E55-R59 IonicContact OE2-NH2 2.74Å; E55-R59 PolarHBondContact OE2-NH2 2.97Å; E55-T60 VanDerWaalsContact O-CB 3.29Å; E55-T60 WeakPolarHBondContact O-CB 3.44Å; E55-T60 VanDerWaalsContact O-CG2 3.31Å; E55-T60 WeakPolarHBondContact O-CG2 3.24Å; E55-T60 PolarHBondContact O-OG1 3.37Å; E55-T60 PolarHBondContact OE1-OG1 2.92Å; E55-Y80 PolarHBondContact N-OH 2.95Å; E55-Y80 PolarHBondContact O-OH 2.97Å
56R97.3Very high97.6Very high85 Ų8547 Ų4732%0.32123%0.229SC..  trans-99.485.5177.9-57.5-178.6-166.2171.84.9111.9D54 I84 E87D54-R56 PolarHBondContact O-N 2.94Å; D54-R56 IonicContact OD1-CZ 3.27Å; D54-R56 IonicContact OD1-NE 3.81Å; D54-R56 PolarHBondContact OD1-NE 3.24Å; D54-R56 IonicContact OD1-NH2 3.44Å; D54-R56 PolarHBondContact OD1-NH2 3.47Å; D54-R56 IonicContact OD2-CZ 3.14Å; D54-R56 IonicContact OD2-NE 2.69Å; D54-R56 IonicContact OD2-NH2 2.66Å; D54-R56 PolarHBondContact OD2-NH2 3.35Å; R56-I84 HydrophobicContact CB-CG1 4.26Å; R56-I84 HydrophobicContact CG-CG1 4.14Å; R56-E87 HydrophobicContact CB-CB 4.14Å; R56-E87 HydrophobicContact CB-CG 4.07Å; R56-E87 IonicContact NH1-OE2 3.48Å; R56-E87 PolarHBondContact NH1-OE2 2.99Å
57S97.1Very high97.6Very high28 Ų2846.4 Ų46.420%0.19623%0.227CC..SBendtrans-133.1164.5-174.467.10000112E55 R59 T60 L61E55-S57 PolarHBondContact O-N 2.88Å; E55-S57 WeakPolarHBondContact OE1-CB 3.3Å; E55-S57 PolarHBondContact OE1-OG 2.97Å; S57-R59 VanDerWaalsContact C-N 3.29Å; S57-R59 PolarHBondContact O-N 3.46Å; S57-R59 WeakPolarHBondContact OG-CG 3.34Å; S57-T60 PolarHBondContact O-N 3.01Å; S57-T60 WeakPolarHBondContact OG-CB 3.44Å; S57-T60 PolarHBondContact OG-N 3.49Å; S57-T60 VanDerWaalsContact OG-N 3.14Å; S57-T60 PolarHBondContact OG-OG1 3.28Å; S57-T60 VanDerWaalsContact OG-OG1 3.07Å; S57-L61 PolarHBondContact O-N 3.05Å
58E96.7Very high97.5Very high157 Ų15746 Ų4673%0.73423%0.225SC*.Hα-helixtrans-58.5-39.1173.1-70-179.8177.500112.3T60 L61 S62 I88E58-T60 VanDerWaalsContact C-N 3.34Å; E58-T60 PolarHBondContact O-N 3.32Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.47Å; E58-S62 PolarHBondContact O-N 3.48Å; E58-I88 HydrophobicContact CG-CD1 3.96Å
59R96.5Very high97.3Very high64 Ų6448.5 Ų48.524%0.24224%0.241CC..Hα-helixtrans-65.6-37.6176.568.1173-177-169.82.3111.9E15 W16 D18 E55 S57 S62 L63E15-R59 PolarHBondContact O-NH1 3.4Å; W16-R59 HydrophobicContact CH2-CG 4.37Å; W16-R59 HydrophobicContact CZ2-CB 4.15Å; W16-R59 HydrophobicContact CZ2-CG 4.06Å; D18-R59 IonicContact OD1-CZ 3.41Å; D18-R59 IonicContact OD1-NH1 2.71Å; D18-R59 PolarHBondContact OD1-NH1 2.91Å; D18-R59 IonicContact OD1-NH2 3.54Å; D18-R59 IonicContact OD2-CZ 3.58Å; D18-R59 IonicContact OD2-NH1 3.4Å; D18-R59 PolarHBondContact OD2-NH1 3.03Å; D18-R59 IonicContact OD2-NH2 2.89Å; D18-R59 PolarHBondContact OD2-NH2 2.8Å; E55-R59 WeakPolarHBondContact OE1-CG 3.33Å; E55-R59 IonicContact OE1-CZ 3Å; E55-R59 IonicContact OE1-NE 3.42Å; E55-R59 PolarHBondContact OE1-NE 2.79Å; E55-R59 IonicContact OE1-NH2 3.33Å; E55-R59 PolarHBondContact OE1-NH2 3.1Å; E55-R59 IonicContact OE2-CZ 3.4Å; E55-R59 IonicContact OE2-NE 3.66Å; E55-R59 IonicContact OE2-NH2 2.74Å; E55-R59 PolarHBondContact OE2-NH2 2.97Å; S57-R59 VanDerWaalsContact C-N 3.29Å; S57-R59 PolarHBondContact O-N 3.46Å; S57-R59 WeakPolarHBondContact OG-CG 3.34Å; R59-S62 WeakPolarHBondContact O-CB 3.41Å; R59-S62 PolarHBondContact O-N 3.15Å; R59-L63 PolarHBondContact O-N 2.92Å
60T97.9Very high97.2Very high0 Ų051.8 Ų51.80%026%0.255CS..Hα-helixtrans-73.2-33.6177.2-58.70000111.4A50 E55 S57 E58 L63 T64 Y80 I84A50-T60 HydrophobicContact CB-CG2 3.77Å; E55-T60 VanDerWaalsContact O-CB 3.29Å; E55-T60 WeakPolarHBondContact O-CB 3.44Å; E55-T60 VanDerWaalsContact O-CG2 3.31Å; E55-T60 WeakPolarHBondContact O-CG2 3.24Å; E55-T60 PolarHBondContact O-OG1 3.37Å; E55-T60 PolarHBondContact OE1-OG1 2.92Å; S57-T60 PolarHBondContact O-N 3.01Å; S57-T60 WeakPolarHBondContact OG-CB 3.44Å; S57-T60 PolarHBondContact OG-N 3.49Å; S57-T60 VanDerWaalsContact OG-N 3.14Å; S57-T60 PolarHBondContact OG-OG1 3.28Å; S57-T60 VanDerWaalsContact OG-OG1 3.07Å; E58-T60 VanDerWaalsContact C-N 3.34Å; E58-T60 PolarHBondContact O-N 3.32Å; T60-L63 PolarHBondContact O-N 3.14Å; T60-T64 VanDerWaalsContact O-CG2 3.26Å; T60-T64 WeakPolarHBondContact O-CG2 3.23Å; T60-T64 PolarHBondContact O-N 3.48Å; T60-Y80 HydrophobicContact CG2-CD1 4.4Å; T60-Y80 HydrophobicContact CG2-CE1 3.51Å; T60-I84 HydrophobicContact CG2-CD1 3.64Å
61L97.9Very high97.1Very high23 Ų2354.6 Ų54.612%0.1227%0.27CS..Hα-helixtrans-59.3-48.1169.8-176.859.4000110.6S57 E58 L63 T64 S65 R81 I84 I85 I88S57-L61 PolarHBondContact O-N 3.05Å; E58-L61 WeakPolarHBondContact O-CB 3.46Å; E58-L61 PolarHBondContact O-N 3.47Å; L61-L63 VanDerWaalsContact C-N 3.33Å; L61-L63 PolarHBondContact O-N 2.91Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 VanDerWaalsContact O-N 3.15Å; L61-T64 PolarHBondContact O-OG1 3Å; L61-S65 PolarHBondContact O-N 3.44Å; L61-S65 PolarHBondContact O-OG 2.98Å; L61-R81 HydrophobicContact CD1-CG 3.77Å; L61-R81 PolarHBondContact O-NH1 3.46Å; L61-R81 VanDerWaalsContact O-NH1 3.08Å; L61-I84 HydrophobicContact CB-CG2 3.85Å; L61-I84 HydrophobicContact CD1-CG2 4.38Å; L61-I85 HydrophobicContact CD1-CD1 4.37Å; L61-I85 HydrophobicContact CD1-CG1 3.84Å; L61-I85 HydrophobicContact CD2-CG1 4.5Å; L61-I88 HydrophobicContact CB-CD1 4.38Å; L61-I88 HydrophobicContact CD2-CD1 3.91Å
62S96.5Very high97.1Very high62 Ų6252.1 Ų52.143%0.43426%0.258SS..Hα-helixtrans-59-43175-172.50000112.1E58 R59 T64 S65 D66E58-S62 PolarHBondContact O-N 3.48Å; R59-S62 WeakPolarHBondContact O-CB 3.41Å; R59-S62 PolarHBondContact O-N 3.15Å; S62-T64 VanDerWaalsContact C-N 3.32Å; S62-T64 PolarHBondContact O-N 3.49Å; S62-S65 WeakPolarHBondContact O-CA 3.32Å; S62-S65 WeakPolarHBondContact O-CB 3.33Å; S62-S65 PolarHBondContact O-N 3.04Å; S62-D66 PolarHBondContact O-N 3.06Å
63L97.9Very high97.1Very high0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-57.6-41.6173.6168.563.1000113.3Y10 W16 F47 A50 R59 T60 L61 S65 D66 I67Y10-L63 HydrophobicContact CD1-CD1 4.28Å; Y10-L63 HydrophobicContact CD2-CD1 4.46Å; Y10-L63 HydrophobicContact CE1-CB 4Å; Y10-L63 HydrophobicContact CE1-CD1 3.56Å; Y10-L63 HydrophobicContact CE1-CG 4.23Å; Y10-L63 HydrophobicContact CE2-CD1 3.77Å; Y10-L63 VanDerWaalsContact OH-CA 3.25Å; Y10-L63 WeakPolarHBondContact OH-CA 3.05Å; Y10-L63 WeakPolarHBondContact OH-CD1 3.44Å; W16-L63 HydrophobicContact CH2-CB 4.19Å; W16-L63 HydrophobicContact CH2-CD2 3.38Å; W16-L63 HydrophobicContact CH2-CG 4.42Å; W16-L63 HydrophobicContact CZ2-CB 3.84Å; W16-L63 HydrophobicContact CZ2-CD2 3.81Å; W16-L63 HydrophobicContact CZ2-CG 4.43Å; W16-L63 HydrophobicContact CZ3-CD2 4.1Å; F47-L63 HydrophobicContact CB-CD1 4.42Å; F47-L63 HydrophobicContact CB-CD2 4.3Å; F47-L63 HydrophobicContact CB-CG 4.44Å; A50-L63 HydrophobicContact CB-CD2 4.23Å; R59-L63 PolarHBondContact O-N 2.92Å; T60-L63 PolarHBondContact O-N 3.14Å; L61-L63 VanDerWaalsContact C-N 3.33Å; L61-L63 PolarHBondContact O-N 2.91Å; L63-S65 PolarHBondContact O-N 3.03Å; L63-D66 PolarHBondContact O-N 3.46Å; L63-D66 VanDerWaalsContact O-N 3.16Å; L63-I67 HydrophobicContact CD1-CD1 4.25Å; L63-I67 HydrophobicContact CD1-CG1 4Å; L63-I67 HydrophobicContact CG-CG1 4.4Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.47Å; L63-I67 PolarHBondContact O-N 2.98Å
64T98.2Very high97.2Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-63-29176.368.50000112.2F47 T60 L61 S62 I67 L68 Y80 R81 I84F47-T64 HydrophobicContact CE2-CG2 4.27Å; T60-T64 VanDerWaalsContact O-CG2 3.26Å; T60-T64 WeakPolarHBondContact O-CG2 3.23Å; T60-T64 PolarHBondContact O-N 3.48Å; L61-T64 PolarHBondContact O-N 3.35Å; L61-T64 VanDerWaalsContact O-N 3.15Å; L61-T64 PolarHBondContact O-OG1 3Å; S62-T64 VanDerWaalsContact C-N 3.32Å; S62-T64 PolarHBondContact O-N 3.49Å; T64-I67 PolarHBondContact O-N 3.25Å; T64-L68 WeakPolarHBondContact O-CB 3.34Å; T64-L68 WeakPolarHBondContact O-CD1 3.31Å; T64-L68 WeakPolarHBondContact O-CG 3.45Å; T64-L68 PolarHBondContact O-N 3.47Å; T64-Y80 HydrophobicContact CG2-CD1 4.26Å; T64-R81 HydrophobicContact CG2-CB 4.26Å; T64-R81 PolarHBondContact OG1-NH1 3.32Å; T64-I84 HydrophobicContact CG2-CD1 3.97Å
65S97Very high97.2Very high22 Ų2246.9 Ų46.915%0.15423%0.234CC..Hα-helixtrans-63.3-47.8173.7-51.70000111.1L61 S62 L63 I67 L68 L69 R81L61-S65 PolarHBondContact O-N 3.44Å; L61-S65 PolarHBondContact O-OG 2.98Å; S62-S65 WeakPolarHBondContact O-CA 3.32Å; S62-S65 WeakPolarHBondContact O-CB 3.33Å; S62-S65 PolarHBondContact O-N 3.04Å; L63-S65 PolarHBondContact O-N 3.03Å; S65-I67 VanDerWaalsContact C-N 3.34Å; S65-I67 PolarHBondContact O-N 3.02Å; S65-L68 PolarHBondContact O-N 3.43Å; S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 3.42Å; S65-R81 PolarHBondContact OG-NH1 3.5Å
66D96.3Very high97.3Very high33 Ų3347.9 Ų47.918%0.17624%0.243CC..Hα-helixtrans-61.6-42.9178-74.80.7000110.8Y10 R13 S62 L63 L68 L69 F70Y10-D66 HydrophobicContact CE2-CB 4.36Å; Y10-D66 WeakPolarHBondContact OH-CB 3.37Å; Y10-D66 VanDerWaalsContact OH-CG 3.3Å; Y10-D66 PolarHBondContact OH-OD2 3.03Å; R13-D66 IonicContact CZ-OD2 3.59Å; R13-D66 IonicContact NH1-OD2 2.84Å; R13-D66 PolarHBondContact NH1-OD2 3.26Å; R13-D66 IonicContact NH2-OD2 3.56Å; R13-D66 PolarHBondContact NH2-OD2 3.42Å; S62-D66 PolarHBondContact O-N 3.06Å; L63-D66 PolarHBondContact O-N 3.46Å; L63-D66 VanDerWaalsContact O-N 3.16Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.96Å; D66-L69 PolarHBondContact O-N 3.34Å; D66-F70 WeakPolarHBondContact O-CD2 3.32Å; D66-F70 PolarHBondContact O-N 3.3Å
67I98Very high97.3Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-59.7-41.3176-63.7-63.4000112.1A43 H44 F47 L63 T64 S65 F70 N71 A77A43-I67 HydrophobicContact CB-CD1 3.86Å; H44-I67 HydrophobicContact CB-CD1 4.4Å; F47-I67 HydrophobicContact CB-CD1 3.59Å; F47-I67 HydrophobicContact CB-CG1 3.76Å; F47-I67 HydrophobicContact CD2-CG1 3.88Å; F47-I67 HydrophobicContact CG-CD1 4.07Å; F47-I67 HydrophobicContact CG-CG1 3.87Å; L63-I67 HydrophobicContact CD1-CD1 4.25Å; L63-I67 HydrophobicContact CD1-CG1 4Å; L63-I67 HydrophobicContact CG-CG1 4.4Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.47Å; L63-I67 PolarHBondContact O-N 2.98Å; T64-I67 PolarHBondContact O-N 3.25Å; S65-I67 VanDerWaalsContact C-N 3.34Å; S65-I67 PolarHBondContact O-N 3.02Å; I67-F70 PolarHBondContact O-N 3.19Å; I67-N71 PolarHBondContact O-N 3.22Å; I67-A77 HydrophobicContact CB-CB 4.48Å; I67-A77 HydrophobicContact CG2-CB 3.61Å
68L97.6Very high97.4Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-76.1-24.4-179-68.6170.6000112.8T64 S65 D66 N71 P72 A77 W78 F98T64-L68 WeakPolarHBondContact O-CB 3.34Å; T64-L68 WeakPolarHBondContact O-CD1 3.31Å; T64-L68 WeakPolarHBondContact O-CG 3.45Å; T64-L68 PolarHBondContact O-N 3.47Å; S65-L68 PolarHBondContact O-N 3.43Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.96Å; L68-N71 CarbonylContact O-C 3.26Å; L68-P72 VanDerWaalsContact O-CA 3.3Å; L68-P72 WeakPolarHBondContact O-CA 3.47Å; L68-P72 WeakPolarHBondContact O-CB 3.24Å; L68-P72 VanDerWaalsContact O-CD 3.3Å; L68-P72 WeakPolarHBondContact O-CD 3.37Å; L68-A77 HydrophobicContact CD2-CB 3.86Å; L68-A77 HydrophobicContact CG-CB 4.26Å; L68-W78 HydrophobicContact CB-CZ2 4.38Å; L68-W78 HydrophobicContact CD1-CD2 3.8Å; L68-W78 HydrophobicContact CD1-CE3 3.7Å; L68-W78 HydrophobicContact CD1-CH2 3.63Å; L68-W78 HydrophobicContact CD1-CZ2 3.7Å; L68-W78 HydrophobicContact CD1-CZ3 3.62Å; L68-W78 HydrophobicContact CD2-CD2 3.8Å; L68-W78 HydrophobicContact CD2-CG 3.94Å; L68-W78 HydrophobicContact CD2-CZ2 3.81Å; L68-W78 VanDerWaalsContact CD2-NE1 3.28Å; L68-W78 HydrophobicContact CG-CD2 4.44Å; L68-W78 HydrophobicContact CG-CZ2 4.16Å; L68-F98 HydrophobicContact CB-CZ 4.37Å; L68-F98 HydrophobicContact CD1-CE1 4.18Å; L68-F98 HydrophobicContact CD1-CZ 4.21Å
69L94.6Very high97.5Very high97 Ų9738.3 Ų38.351%0.50820%0.198SC..Hα-helixtrans-70.2-36167.9-72.8169.8000111.9S65 D66 L102S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 3.42Å; D66-L69 PolarHBondContact O-N 3.34Å; L69-L102 HydrophobicContact CD2-CD2 3.81Å
70F95.5Very high97.5Very high72 Ų7235.4 Ų35.432%0.31619%0.188SC..Hα-helixtrans-71.9-41.5173.6-75.1-60.2000112.8Y7 E39 F40 A43 D66 I67Y7-F70 HydrophobicContact CD2-CZ 4.42Å; Y7-F70 HydrophobicContact CE2-CE2 4.13Å; Y7-F70 AromaticContact CE2-CZ 3.93Å; Y7-F70 HydrophobicContact CE2-CZ 3.93Å; E39-F70 HydrophobicContact CB-CE1 4.1Å; E39-F70 HydrophobicContact CB-CZ 3.75Å; F40-F70 HydrophobicContact CB-CD1 4.44Å; F40-F70 HydrophobicContact CD2-CB 3.81Å; F40-F70 HydrophobicContact CD2-CD1 4.16Å; F40-F70 HydrophobicContact CD2-CG 4.07Å; F40-F70 HydrophobicContact CE2-CB 4.03Å; A43-F70 HydrophobicContact CB-CD2 4.04Å; A43-F70 HydrophobicContact CB-CE2 3.63Å; D66-F70 WeakPolarHBondContact O-CD2 3.32Å; D66-F70 PolarHBondContact O-N 3.3Å; I67-F70 PolarHBondContact O-N 3.19Å
71N96.8Very high97.6Very high58 Ų5835.9 Ų35.931%0.3119%0.189SC..  trans-149.990.6-178.3-178.67.1000111.4F40 I67 L68 A73 N74F40-N71 HydrophobicContact CE2-CB 4.47Å; I67-N71 PolarHBondContact O-N 3.22Å; L68-N71 CarbonylContact O-C 3.26Å; N71-A73 PolarHBondContact O-N 3.08Å; N71-A73 VanDerWaalsContact O-N 3.08Å; N71-A73 WeakPolarHBondContact OD1-CB 3.44Å; N71-A73 PolarHBondContact OD1-N 3.18Å; N71-A73 VanDerWaalsContact OD1-N 3.08Å; N71-N74 HydrophobicContact CB-CB 4.44Å; N71-N74 WeakPolarHBondContact O-CB 3.24Å; N71-N74 PolarHBondContact O-N 2.75Å; N71-N74 VanDerWaalsContact O-N 3.08Å
72P97.3Very high97.6Very high13 Ų1336 Ų368%0.08419%0.188CC..THydrogen-bonded Turntrans-67.1-11.4179.626.2-34.1000112.9L68 N74 W78 Y106 N109L68-P72 VanDerWaalsContact O-CA 3.3Å; L68-P72 WeakPolarHBondContact O-CA 3.47Å; L68-P72 WeakPolarHBondContact O-CB 3.24Å; L68-P72 VanDerWaalsContact O-CD 3.3Å; L68-P72 WeakPolarHBondContact O-CD 3.37Å; P72-N74 VanDerWaalsContact C-N 3.34Å; P72-W78 PolarHBondContact O-NE1 2.86Å; P72-Y106 HydrophobicContact CB-CD2 4.36Å; P72-Y106 HydrophobicContact CG-CD1 4.02Å; P72-Y106 HydrophobicContact CG-CD2 3.89Å; P72-Y106 HydrophobicContact CG-CE1 4.29Å; P72-Y106 HydrophobicContact CG-CE2 4.17Å; P72-Y106 HydrophobicContact CG-CG 3.82Å; P72-N109 PolarHBondContact O-ND2 3.17Å; P72-N109 VanDerWaalsContact O-ND2 3.08Å
73A98Very high97.6Very high46 Ų4638 Ų3838%0.3819%0.186SC..THydrogen-bonded Turntrans-86.1-1.9175.800000113.5N71 Y75 N109N71-A73 PolarHBondContact O-N 3.08Å; N71-A73 VanDerWaalsContact O-N 3.08Å; N71-A73 WeakPolarHBondContact OD1-CB 3.44Å; N71-A73 PolarHBondContact OD1-N 3.18Å; N71-A73 VanDerWaalsContact OD1-N 3.08Å; A73-Y75 PolarHBondContact O-N 2.84Å; A73-N109 WeakPolarHBondContact CA-ND2 3.45Å; A73-N109 PolarHBondContact N-ND2 3.37Å
74N98.3Very high97.6Very high27 Ų2738 Ų3814%0.14419%0.186CC..  trans-71.491.2177.3-171.6-21.9000111N71 P72 T76 A77 W78N71-N74 HydrophobicContact CB-CB 4.44Å; N71-N74 WeakPolarHBondContact O-CB 3.24Å; N71-N74 PolarHBondContact O-N 2.75Å; N71-N74 VanDerWaalsContact O-N 3.08Å; P72-N74 VanDerWaalsContact C-N 3.34Å; N74-T76 VanDerWaalsContact C-N 3.25Å; N74-T76 PolarHBondContact O-N 3.46Å; N74-T76 WeakPolarHBondContact OD1-CB 3.22Å; N74-T76 PolarHBondContact OD1-N 3.2Å; N74-A77 HydrophobicContact CB-CB 4.05Å; N74-A77 WeakPolarHBondContact O-CB 3.49Å; N74-A77 PolarHBondContact O-N 3.39Å; N74-A77 VanDerWaalsContact O-N 3.17Å; N74-A77 PolarHBondContact OD1-N 2.89Å; N74-A77 VanDerWaalsContact OD1-N 3.1Å; N74-W78 VanDerWaalsContact O-CD1 3.28Å; N74-W78 PolarHBondContact O-N 3.4Å
75Y98.5Very high97.6Very high163 Ų16338.2 Ų38.264%0.63919%0.187SC*.Hα-helixtrans-65.3-25.7-178.559.8-93.6000113.6A73 W78 E79A73-Y75 PolarHBondContact O-N 2.84Å; Y75-W78 PolarHBondContact O-N 3.1Å; Y75-E79 WeakPolarHBondContact O-CB 3.3Å; Y75-E79 PolarHBondContact O-N 3.02Å
76T98.6Very high97.6Very high55 Ų5541.9 Ų41.934%0.33720%0.202SC..Hα-helixtrans-66.9-41.8173.5-57.40000110.8F47 L51 N74 E79 Y80F47-T76 HydrophobicContact CE1-CG2 4.47Å; F47-T76 HydrophobicContact CZ-CG2 4.35Å; L51-T76 HydrophobicContact CD2-CG2 3.81Å; N74-T76 VanDerWaalsContact C-N 3.25Å; N74-T76 PolarHBondContact O-N 3.46Å; N74-T76 WeakPolarHBondContact OD1-CB 3.22Å; N74-T76 PolarHBondContact OD1-N 3.2Å; T76-E79 PolarHBondContact O-N 2.99Å; T76-Y80 WeakPolarHBondContact O-CB 3.43Å; T76-Y80 PolarHBondContact O-N 3.45Å
77A98.5Very high97.6Very high0 Ų045.9 Ų45.90%022%0.22CC..Hα-helixtrans-63-42.5175.300000111.8F47 I67 L68 N74 Y80 R81F47-A77 HydrophobicContact CE2-CB 4.01Å; F47-A77 HydrophobicContact CZ-CB 3.83Å; I67-A77 HydrophobicContact CB-CB 4.48Å; I67-A77 HydrophobicContact CG2-CB 3.61Å; L68-A77 HydrophobicContact CD2-CB 3.86Å; L68-A77 HydrophobicContact CG-CB 4.26Å; N74-A77 HydrophobicContact CB-CB 4.05Å; N74-A77 WeakPolarHBondContact O-CB 3.49Å; N74-A77 PolarHBondContact O-N 3.39Å; N74-A77 VanDerWaalsContact O-N 3.17Å; N74-A77 PolarHBondContact OD1-N 2.89Å; N74-A77 VanDerWaalsContact OD1-N 3.1Å; A77-Y80 PolarHBondContact O-N 2.88Å; A77-R81 VanDerWaalsContact O-CB 3.24Å; A77-R81 WeakPolarHBondContact O-CB 3.3Å; A77-R81 PolarHBondContact O-N 3.29Å
78W98.5Very high97.4Very high2 Ų248.4 Ų48.41%0.00823%0.232CC..Hα-helixtrans-62.6-44.8175.1-76.8111.8000113.6L68 P72 N74 Y75 Y80 R81 R82 F98 V99 L102 Q111 L112 H115L68-W78 HydrophobicContact CB-CZ2 4.38Å; L68-W78 HydrophobicContact CD1-CD2 3.8Å; L68-W78 HydrophobicContact CD1-CE3 3.7Å; L68-W78 HydrophobicContact CD1-CH2 3.63Å; L68-W78 HydrophobicContact CD1-CZ2 3.7Å; L68-W78 HydrophobicContact CD1-CZ3 3.62Å; L68-W78 HydrophobicContact CD2-CD2 3.8Å; L68-W78 HydrophobicContact CD2-CG 3.94Å; L68-W78 HydrophobicContact CD2-CZ2 3.81Å; L68-W78 VanDerWaalsContact CD2-NE1 3.28Å; L68-W78 HydrophobicContact CG-CD2 4.44Å; L68-W78 HydrophobicContact CG-CZ2 4.16Å; P72-W78 PolarHBondContact O-NE1 2.86Å; N74-W78 VanDerWaalsContact O-CD1 3.28Å; N74-W78 PolarHBondContact O-N 3.4Å; Y75-W78 PolarHBondContact O-N 3.1Å; W78-Y80 VanDerWaalsContact C-N 3.34Å; W78-R81 PolarHBondContact O-N 2.94Å; W78-R82 PolarHBondContact O-N 2.9Å; W78-F98 AromaticContact CH2-CE1 3.81Å; W78-F98 HydrophobicContact CH2-CE1 3.81Å; W78-F98 HydrophobicContact CZ3-CE1 4.03Å; W78-V99 HydrophobicContact CH2-CG2 4.44Å; W78-L102 HydrophobicContact CH2-CD1 3.86Å; W78-L102 HydrophobicContact CZ2-CD1 4.07Å; W78-Q111 HydrophobicContact CG-CB 3.98Å; W78-L112 HydrophobicContact CH2-CD2 3.66Å; W78-L112 HydrophobicContact CZ2-CD2 3.3Å; W78-L112 HydrophobicContact CZ2-CG 4.18Å; W78-H115 HydrophobicContact CD2-CB 4.3Å; W78-H115 HydrophobicContact CE3-CB 3.76Å; W78-H115 AromaticContact CE3-CD2 3.7Å; W78-H115 AromaticContact CE3-CE1 3.86Å; W78-H115 AromaticContact CE3-CG 3.38Å; W78-H115 AromaticContact CE3-ND1 3.53Å; W78-H115 AromaticContact CE3-NE2 3.96Å; W78-H115 HydrophobicContact CZ3-CB 3.95Å; W78-H115 AromaticContact CZ3-CD2 3.25Å; W78-H115 WeakPolarHBondContact CZ3-CD2 3.36Å; W78-H115 AromaticContact CZ3-CE1 3.99Å; W78-H115 AromaticContact CZ3-CG 3.44Å; W78-H115 VanDerWaalsContact CZ3-CG 3.44Å; W78-H115 AromaticContact CZ3-ND1 3.94Å; W78-H115 AromaticContact CZ3-NE2 3.61Å
79E98.3Very high96.9Very high67 Ų6753.4 Ų53.431%0.31327%0.267SS..Hα-helixtrans-61.7-44.9176.4173.658.9-16800111.5Y75 T76 R82 R83Y75-E79 WeakPolarHBondContact O-CB 3.3Å; Y75-E79 PolarHBondContact O-N 3.02Å; T76-E79 PolarHBondContact O-N 2.99Å; E79-R82 PolarHBondContact O-N 2.58Å; E79-R82 IonicContact OE2-CZ 2.77Å; E79-R82 IonicContact OE2-NE 3.59Å; E79-R82 IonicContact OE2-NH2 3.54Å; E79-R82 PolarHBondContact OE2-NH2 3.14Å; E79-R83 WeakPolarHBondContact O-CG 3.33Å; E79-R83 PolarHBondContact O-N 3.19Å; E79-R83 IonicContact OE1-CZ 3.07Å; E79-R83 VanDerWaalsContact OE1-CZ 3.31Å; E79-R83 IonicContact OE1-NE 3.93Å; E79-R83 PolarHBondContact OE1-NE 3.39Å; E79-R83 IonicContact OE1-NH2 3.66Å; E79-R83 PolarHBondContact OE1-NH2 2.69Å
80Y98.3Very high96.1Very high4 Ų450.1 Ų50.12%0.01625%0.253CS..Hα-helixtrans-66.1-42.6179-168.8-138.1000111.9F47 A50 L51 D54 E55 T60 T64 T76 A77 W78 R82 R83 I84F47-Y80 AromaticContact CE2-CD1 3.82Å; F47-Y80 HydrophobicContact CE2-CD1 3.82Å; F47-Y80 HydrophobicContact CZ-CD1 4.45Å; A50-Y80 HydrophobicContact CB-CE1 4.48Å; A50-Y80 PolarHBondContact O-OH 3.37Å; A50-Y80 VanDerWaalsContact O-OH 3.12Å; L51-Y80 HydrophobicContact CB-CE1 4.44Å; L51-Y80 HydrophobicContact CD1-CD1 4Å; L51-Y80 HydrophobicContact CD1-CD2 3.83Å; L51-Y80 HydrophobicContact CD1-CE1 4.29Å; L51-Y80 HydrophobicContact CD1-CE2 4.15Å; L51-Y80 HydrophobicContact CD1-CG 3.76Å; D54-Y80 VanDerWaalsContact C-OH 3.28Å; D54-Y80 WeakPolarHBondContact OD1-CE2 3.42Å; E55-Y80 PolarHBondContact N-OH 2.95Å; E55-Y80 PolarHBondContact O-OH 2.97Å; T60-Y80 HydrophobicContact CG2-CD1 4.4Å; T60-Y80 HydrophobicContact CG2-CE1 3.51Å; T64-Y80 HydrophobicContact CG2-CD1 4.26Å; T76-Y80 WeakPolarHBondContact O-CB 3.43Å; T76-Y80 PolarHBondContact O-N 3.45Å; A77-Y80 PolarHBondContact O-N 2.88Å; W78-Y80 VanDerWaalsContact C-N 3.34Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; Y80-R82 PolarHBondContact O-N 2.76Å; Y80-R83 WeakPolarHBondContact O-CB 3.37Å; Y80-R83 PolarHBondContact O-N 3.41Å; Y80-R83 VanDerWaalsContact O-N 3.14Å; Y80-I84 HydrophobicContact CD1-CD1 3.93Å; Y80-I84 HydrophobicContact CD2-CD1 4.47Å; Y80-I84 HydrophobicContact CD2-CG1 4.49Å; Y80-I84 HydrophobicContact CE1-CD1 3.88Å; Y80-I84 HydrophobicContact CE2-CD1 4.41Å; Y80-I84 HydrophobicContact CE2-CG1 4.35Å; Y80-I84 HydrophobicContact CG-CD1 4.23Å; Y80-I84 VanDerWaalsContact O-CG1 3.31Å; Y80-I84 WeakPolarHBondContact O-CG1 3.41Å; Y80-I84 PolarHBondContact O-N 2.7Å
81R98.3Very high96.1Very high9 Ų951 Ų513%0.03426%0.26CS..Hα-helixtrans-53.8-47.6173.8-177.4172.8-173.793.7-1.8112L61 T64 S65 A77 W78 R83 I84 I85 E95L61-R81 HydrophobicContact CD1-CG 3.77Å; L61-R81 PolarHBondContact O-NH1 3.46Å; L61-R81 VanDerWaalsContact O-NH1 3.08Å; T64-R81 HydrophobicContact CG2-CB 4.26Å; T64-R81 PolarHBondContact OG1-NH1 3.32Å; S65-R81 PolarHBondContact OG-NH1 3.5Å; A77-R81 VanDerWaalsContact O-CB 3.24Å; A77-R81 WeakPolarHBondContact O-CB 3.3Å; A77-R81 PolarHBondContact O-N 3.29Å; W78-R81 PolarHBondContact O-N 2.94Å; R81-R83 PolarHBondContact O-N 2.88Å; R81-I84 PolarHBondContact O-N 3.11Å; R81-I85 HydrophobicContact CG-CD1 3.87Å; R81-I85 HydrophobicContact CG-CG1 4.45Å; R81-I85 VanDerWaalsContact O-CG1 3.29Å; R81-I85 WeakPolarHBondContact O-CG1 3.2Å; R81-I85 PolarHBondContact O-N 2.99Å; R81-E95 IonicContact CZ-OE1 2.76Å; R81-E95 IonicContact CZ-OE2 3.28Å; R81-E95 IonicContact NE-OE1 3.48Å; R81-E95 PolarHBondContact NE-OE1 3.46Å; R81-E95 IonicContact NE-OE2 3.57Å; R81-E95 PolarHBondContact NE-OE2 3.31Å; R81-E95 IonicContact NH2-OE1 3.59Å; R81-E95 IonicContact NH2-OE2 3.62Å; R81-E95 PolarHBondContact NH2-OE2 3Å
82R98.2Very high96Very high26 Ų2648.7 Ų48.710%0.09825%0.248CC..Hα-helixtrans-58.7-43.9176.9-74.7-171.2-65-87.82.4112.6W78 E79 Y80 I84 I85 E86 H115 W118W78-R82 PolarHBondContact O-N 2.9Å; E79-R82 PolarHBondContact O-N 2.58Å; E79-R82 IonicContact OE2-CZ 2.77Å; E79-R82 IonicContact OE2-NE 3.59Å; E79-R82 IonicContact OE2-NH2 3.54Å; E79-R82 PolarHBondContact OE2-NH2 3.14Å; Y80-R82 VanDerWaalsContact C-N 3.34Å; Y80-R82 PolarHBondContact O-N 2.76Å; R82-I84 VanDerWaalsContact C-N 3.31Å; R82-I84 PolarHBondContact O-N 3.45Å; R82-I85 PolarHBondContact O-N 3.22Å; R82-E86 WeakPolarHBondContact O-CG 3.3Å; R82-E86 PolarHBondContact O-N 3.42Å; R82-H115 WeakPolarHBondContact CG-ND1 3.45Å; R82-W118 HydrophobicContact CB-CH2 4.03Å; R82-W118 HydrophobicContact CB-CZ2 3.91Å; R82-W118 HydrophobicContact CB-CZ3 4.42Å; R82-W118 VanDerWaalsContact CD-CD2 3.4Å; R82-W118 HydrophobicContact CG-CD2 3.82Å; R82-W118 HydrophobicContact CG-CE3 3.79Å; R82-W118 HydrophobicContact CG-CG 4.48Å; R82-W118 HydrophobicContact CG-CH2 3.99Å; R82-W118 HydrophobicContact CG-CZ2 4Å; R82-W118 HydrophobicContact CG-CZ3 3.88Å
83R97.7Very high95.9Very high105 Ų10551.7 Ų51.740%0.39626%0.263SS..Hα-helixtrans-62-39.7177.5-66.1176.6-172.9-168.41.3112.3E79 Y80 R81 E87E79-R83 WeakPolarHBondContact O-CG 3.33Å; E79-R83 PolarHBondContact O-N 3.19Å; E79-R83 IonicContact OE1-CZ 3.07Å; E79-R83 VanDerWaalsContact OE1-CZ 3.31Å; E79-R83 IonicContact OE1-NE 3.93Å; E79-R83 PolarHBondContact OE1-NE 3.39Å; E79-R83 IonicContact OE1-NH2 3.66Å; E79-R83 PolarHBondContact OE1-NH2 2.69Å; Y80-R83 WeakPolarHBondContact O-CB 3.37Å; Y80-R83 PolarHBondContact O-N 3.41Å; Y80-R83 VanDerWaalsContact O-N 3.14Å; R81-R83 PolarHBondContact O-N 2.88Å; R83-E87 PolarHBondContact O-N 3.3Å; R83-E87 VanDerWaalsContact O-N 3.16Å
84I98.1Very high95.8Very high0 Ų050.3 Ų50.30%025%0.254CS..Hα-helixtrans-65.2-47.6176.8-60163000110.2R56 T60 L61 T64 Y80 R81 R82 E86 E87 I88R56-I84 HydrophobicContact CB-CG1 4.26Å; R56-I84 HydrophobicContact CG-CG1 4.14Å; T60-I84 HydrophobicContact CG2-CD1 3.64Å; L61-I84 HydrophobicContact CB-CG2 3.85Å; L61-I84 HydrophobicContact CD1-CG2 4.38Å; T64-I84 HydrophobicContact CG2-CD1 3.97Å; Y80-I84 HydrophobicContact CD1-CD1 3.93Å; Y80-I84 HydrophobicContact CD2-CD1 4.47Å; Y80-I84 HydrophobicContact CD2-CG1 4.49Å; Y80-I84 HydrophobicContact CE1-CD1 3.88Å; Y80-I84 HydrophobicContact CE2-CD1 4.41Å; Y80-I84 HydrophobicContact CE2-CG1 4.35Å; Y80-I84 HydrophobicContact CG-CD1 4.23Å; Y80-I84 VanDerWaalsContact O-CG1 3.31Å; Y80-I84 WeakPolarHBondContact O-CG1 3.41Å; Y80-I84 PolarHBondContact O-N 2.7Å; R81-I84 PolarHBondContact O-N 3.11Å; R82-I84 VanDerWaalsContact C-N 3.31Å; R82-I84 PolarHBondContact O-N 3.45Å; I84-E86 VanDerWaalsContact C-N 3.3Å; I84-E86 PolarHBondContact O-N 3.46Å; I84-E87 PolarHBondContact O-N 3.4Å; I84-E87 VanDerWaalsContact O-N 3.13Å; I84-I88 HydrophobicContact CG2-CD1 3.98Å; I84-I88 HydrophobicContact CG2-CG1 4.41Å; I84-I88 HydrophobicContact CG2-CG2 4.45Å; I84-I88 WeakPolarHBondContact O-CG1 3.41Å; I84-I88 PolarHBondContact O-N 3.39Å
85I97.6Very high95.7Very high4 Ų449.4 Ų49.42%0.02125%0.249CC..Hα-helixtrans-55.7-44.5177.9-70.7169.1000111.4L61 R81 R82 E87 S89 S90 L92 E95 W118L61-I85 HydrophobicContact CD1-CD1 4.37Å; L61-I85 HydrophobicContact CD1-CG1 3.84Å; L61-I85 HydrophobicContact CD2-CG1 4.5Å; R81-I85 HydrophobicContact CG-CD1 3.87Å; R81-I85 HydrophobicContact CG-CG1 4.45Å; R81-I85 VanDerWaalsContact O-CG1 3.29Å; R81-I85 WeakPolarHBondContact O-CG1 3.2Å; R81-I85 PolarHBondContact O-N 2.99Å; R82-I85 PolarHBondContact O-N 3.22Å; I85-E87 VanDerWaalsContact C-N 3.35Å; I85-S89 WeakPolarHBondContact O-CA 3.5Å; I85-S89 PolarHBondContact O-N 3.42Å; I85-S90 WeakPolarHBondContact CG1-OG 3.14Å; I85-S90 VanDerWaalsContact CG2-OG 3.31Å; I85-S90 WeakPolarHBondContact CG2-OG 3.4Å; I85-S90 PolarHBondContact O-N 3.14Å; I85-L92 HydrophobicContact CG2-CD2 3.68Å; I85-E95 HydrophobicContact CD1-CG 3.87Å; I85-W118 HydrophobicContact CB-CH2 4.11Å; I85-W118 HydrophobicContact CD1-CZ3 4.27Å; I85-W118 HydrophobicContact CG2-CH2 3.67Å; I85-W118 HydrophobicContact CG2-CZ3 4.02Å
86E96.2Very high95.7Very high98 Ų9842.6 Ų42.646%0.45822%0.223SC..Hα-helixtrans-64.7-37.4178.2-72.6-178.2147.400112.8R82 I84 W118 K122R82-E86 WeakPolarHBondContact O-CG 3.3Å; R82-E86 PolarHBondContact O-N 3.42Å; I84-E86 VanDerWaalsContact C-N 3.3Å; I84-E86 PolarHBondContact O-N 3.46Å; E86-W118 HydrophobicContact CG-CH2 4.13Å; E86-W118 HydrophobicContact CG-CZ2 3.7Å; E86-K122 WeakPolarHBondContact OE1-CE 3.35Å; E86-K122 IonicContact OE1-NZ 3.56Å; E86-K122 PolarHBondContact OE1-NZ 3.12Å
87E96.4Very high95.6Very high118 Ų11846.9 Ų46.955%0.55123%0.233SC*.Hα-helixtrans-72.7-49.1-179.2-166.575.8-14600111.8R56 R83 I84 I85R56-E87 HydrophobicContact CB-CB 4.14Å; R56-E87 HydrophobicContact CB-CG 4.07Å; R56-E87 IonicContact NH1-OE2 3.48Å; R56-E87 PolarHBondContact NH1-OE2 2.99Å; R83-E87 PolarHBondContact O-N 3.3Å; R83-E87 VanDerWaalsContact O-N 3.16Å; I84-E87 PolarHBondContact O-N 3.4Å; I84-E87 VanDerWaalsContact O-N 3.13Å; I85-E87 VanDerWaalsContact C-N 3.35Å
88I94.8Very high95.5Very high52 Ų5248.3 Ų48.327%0.26724%0.24SC..Hα-helixtrans-91.3-0.1-172.377.2178.7000113.3E58 L61 I84 S90E58-I88 HydrophobicContact CG-CD1 3.96Å; L61-I88 HydrophobicContact CB-CD1 4.38Å; L61-I88 HydrophobicContact CD2-CD1 3.91Å; I84-I88 HydrophobicContact CG2-CD1 3.98Å; I84-I88 HydrophobicContact CG2-CG1 4.41Å; I84-I88 HydrophobicContact CG2-CG2 4.45Å; I84-I88 WeakPolarHBondContact O-CG1 3.41Å; I84-I88 PolarHBondContact O-N 3.39Å; I88-S90 PolarHBondContact O-N 2.8Å
89S86.4Confident95.4Very high105 Ų10548.2 Ų48.273%0.73424%0.24SC*.THydrogen-bonded Turntrans53.148-179.5-59.70000113.3I85I85-S89 WeakPolarHBondContact O-CA 3.5Å; I85-S89 PolarHBondContact O-N 3.42Å
90S78.5Confident95.3Very high28 Ų2845.4 Ų45.420%0.19623%0.228CC..  trans-65.7162-176.364.50000113.5I85 I88 L92I85-S90 WeakPolarHBondContact CG1-OG 3.14Å; I85-S90 VanDerWaalsContact CG2-OG 3.31Å; I85-S90 WeakPolarHBondContact CG2-OG 3.4Å; I85-S90 PolarHBondContact O-N 3.14Å; I88-S90 PolarHBondContact O-N 2.8Å; S90-L92 PolarHBondContact O-N 2.96Å
91D94.1Very high95.2Very high90 Ų9051 Ų5148%0.48125%0.254SS..  trans-61.1102.2175.8175.523.2000112N93 G94 E95 R97D91-N93 VanDerWaalsContact C-N 3.27Å; D91-N93 PolarHBondContact O-N 3.23Å; D91-N93 WeakPolarHBondContact OD1-CB 2.99Å; D91-N93 PolarHBondContact OD1-N 2.9Å; D91-G94 PolarHBondContact O-N 3.05Å; D91-G94 PolarHBondContact OD1-N 3.35Å; D91-G94 WeakPolarHBondContact OD2-CA 3.3Å; D91-G94 PolarHBondContact OD2-N 3.27Å; D91-E95 PolarHBondContact O-N 3.3Å; D91-R97 IonicContact OD2-NH2 3.55Å; D91-R97 PolarHBondContact OD2-NH2 3.18Å
92L96.2Very high95.1Very high11 Ų1150.8 Ų50.86%0.05825%0.254CS..Hα-helixtrans-66.7-25.9178.1-62.7-177.8000113.1I85 S90 E95 L96 V119 K122 V123I85-L92 HydrophobicContact CG2-CD2 3.68Å; S90-L92 PolarHBondContact O-N 2.96Å; L92-E95 WeakPolarHBondContact O-CB 3.39Å; L92-E95 PolarHBondContact O-N 3.48Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 2.86Å; L92-V119 HydrophobicContact CB-CG1 4.23Å; L92-V119 HydrophobicContact CD2-CG1 4.49Å; L92-K122 HydrophobicContact CD1-CB 3.68Å; L92-V123 HydrophobicContact CB-CG2 3.42Å; L92-V123 VanDerWaalsContact CB-CG2 3.42Å; L92-V123 HydrophobicContact CD1-CG2 3.7Å; L92-V123 HydrophobicContact CG-CG2 4.21Å
93N94.2Very high95.1Very high75 Ų7549.6 Ų49.640%0.40125%0.249SC..Hα-helixtrans-71.5-37.4174.2-64.4-57.8000110.7D91 E95 L96 R97D91-N93 VanDerWaalsContact C-N 3.27Å; D91-N93 PolarHBondContact O-N 3.23Å; D91-N93 WeakPolarHBondContact OD1-CB 2.99Å; D91-N93 PolarHBondContact OD1-N 2.9Å; N93-E95 VanDerWaalsContact C-N 3.29Å; N93-L96 PolarHBondContact O-N 3.3Å; N93-R97 PolarHBondContact O-N 3.17Å; N93-R97 VanDerWaalsContact O-N 3.14Å; N93-R97 PolarHBondContact O-NH1 3.24Å
94G95.7Very high94.9Very high18 Ų1850.9 Ų50.919%0.18626%0.26CS..Hα-helixtrans-59.5-41.2168.200000112.1D91 R97 F98D91-G94 PolarHBondContact O-N 3.05Å; D91-G94 PolarHBondContact OD1-N 3.35Å; D91-G94 WeakPolarHBondContact OD2-CA 3.3Å; D91-G94 PolarHBondContact OD2-N 3.27Å; G94-R97 VanDerWaalsContact CA-NH2 3.27Å; G94-R97 PolarHBondContact O-N 3.35Å; G94-F98 PolarHBondContact O-N 2.8Å
95E97.6Very high94.7Very high7 Ų755.4 Ų55.43%0.03328%0.284CS..Hα-helixtrans-65.8-38.2176.4-168.163.3-171.700113R81 I85 D91 L92 N93 R97 F98 V99 H115 V119R81-E95 IonicContact CZ-OE1 2.76Å; R81-E95 IonicContact CZ-OE2 3.28Å; R81-E95 IonicContact NE-OE1 3.48Å; R81-E95 PolarHBondContact NE-OE1 3.46Å; R81-E95 IonicContact NE-OE2 3.57Å; R81-E95 PolarHBondContact NE-OE2 3.31Å; R81-E95 IonicContact NH2-OE1 3.59Å; R81-E95 IonicContact NH2-OE2 3.62Å; R81-E95 PolarHBondContact NH2-OE2 3Å; I85-E95 HydrophobicContact CD1-CG 3.87Å; D91-E95 PolarHBondContact O-N 3.3Å; L92-E95 WeakPolarHBondContact O-CB 3.39Å; L92-E95 PolarHBondContact O-N 3.48Å; N93-E95 VanDerWaalsContact C-N 3.29Å; E95-R97 VanDerWaalsContact C-N 3.32Å; E95-R97 PolarHBondContact O-N 3.41Å; E95-F98 PolarHBondContact O-N 3.31Å; E95-V99 WeakPolarHBondContact O-CG1 3.07Å; E95-V99 PolarHBondContact O-N 2.85Å; E95-H115 IonicContact OE1-CD2 2.83Å; E95-H115 IonicContact OE1-CE1 3.18Å; E95-H115 IonicContact OE1-NE2 2.85Å; E95-H115 PolarHBondContact OE1-NE2 2.93Å; E95-V119 HydrophobicContact CB-CG1 4.24Å; E95-V119 HydrophobicContact CB-CG2 4.36Å; E95-V119 HydrophobicContact CG-CG1 4.34Å; E95-V119 HydrophobicContact CG-CG2 3.59Å
96L96.8Very high94.6Very high20 Ų2059.8 Ų59.811%0.10530%0.301CS..Hα-helixtrans-62.4-37173-75.6176.9000112.9L92 N93 V99 G100 R116 V119 I120 V123 L137L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 2.86Å; N93-L96 PolarHBondContact O-N 3.3Å; L96-V99 WeakPolarHBondContact O-CG1 2.87Å; L96-G100 PolarHBondContact O-N 2.79Å; L96-R116 HydrophobicContact CD2-CG 4.38Å; L96-R116 PolarHBondContact O-NH1 3.47Å; L96-V119 HydrophobicContact CD1-CG1 4.46Å; L96-V119 HydrophobicContact CD2-CB 3.81Å; L96-V119 HydrophobicContact CD2-CG1 3.52Å; L96-V119 HydrophobicContact CG-CB 4.39Å; L96-V119 HydrophobicContact CG-CG1 3.54Å; L96-I120 HydrophobicContact CD1-CD1 3.83Å; L96-I120 HydrophobicContact CD2-CD1 3.54Å; L96-I120 HydrophobicContact CD2-CG1 3.88Å; L96-I120 HydrophobicContact CG-CD1 4.36Å; L96-V123 HydrophobicContact CD1-CG2 4.37Å; L96-L137 HydrophobicContact CD1-CD1 4.37Å
97R96.5Very high94.7Very high145 Ų14556.2 Ų56.255%0.54729%0.287SS..Hα-helixtrans-66.7-49173.6-69.1-172.1-62.6-83.72110.8D91 N93 G94 E95 V99 G100 E101D91-R97 IonicContact OD2-NH2 3.55Å; D91-R97 PolarHBondContact OD2-NH2 3.18Å; N93-R97 PolarHBondContact O-N 3.17Å; N93-R97 VanDerWaalsContact O-N 3.14Å; N93-R97 PolarHBondContact O-NH1 3.24Å; G94-R97 VanDerWaalsContact CA-NH2 3.27Å; G94-R97 PolarHBondContact O-N 3.35Å; E95-R97 VanDerWaalsContact C-N 3.32Å; E95-R97 PolarHBondContact O-N 3.41Å; R97-V99 PolarHBondContact O-N 3Å; R97-G100 WeakPolarHBondContact O-CA 3.32Å; R97-G100 PolarHBondContact O-N 3.17Å; R97-G100 VanDerWaalsContact O-N 3.1Å; R97-E101 WeakPolarHBondContact O-CG 3.46Å; R97-E101 PolarHBondContact O-N 3.39Å
98F96.2Very high94.7Very high31 Ų3157.4 Ų57.414%0.13629%0.29CS..Hα-helixtrans-55.1-50.4178.5170.4-105.6000112.6L68 W78 G94 E95 G100 E101 L102L68-F98 HydrophobicContact CB-CZ 4.37Å; L68-F98 HydrophobicContact CD1-CE1 4.18Å; L68-F98 HydrophobicContact CD1-CZ 4.21Å; W78-F98 AromaticContact CH2-CE1 3.81Å; W78-F98 HydrophobicContact CH2-CE1 3.81Å; W78-F98 HydrophobicContact CZ3-CE1 4.03Å; G94-F98 PolarHBondContact O-N 2.8Å; E95-F98 PolarHBondContact O-N 3.31Å; F98-G100 VanDerWaalsContact C-N 3.31Å; F98-G100 PolarHBondContact O-N 2.89Å; F98-E101 PolarHBondContact O-N 2.94Å; F98-L102 HydrophobicContact CD1-CD1 4.32Å; F98-L102 HydrophobicContact CE1-CD1 3.68Å; F98-L102 HydrophobicContact CE2-CD1 3.92Å; F98-L102 HydrophobicContact CE2-CG 4.49Å; F98-L102 HydrophobicContact CZ-CD1 3.46Å; F98-L102 VanDerWaalsContact CZ-CD1 3.46Å; F98-L102 HydrophobicContact CZ-CG 4.48Å; F98-L102 PolarHBondContact O-N 3.23Å
99V97.4Very high94.9Very high0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-69.4-31.3178.573.10000112W78 E95 L96 R97 L102 I103 L112 R116W78-V99 HydrophobicContact CH2-CG2 4.44Å; E95-V99 WeakPolarHBondContact O-CG1 3.07Å; E95-V99 PolarHBondContact O-N 2.85Å; L96-V99 WeakPolarHBondContact O-CG1 2.87Å; R97-V99 PolarHBondContact O-N 3Å; V99-L102 PolarHBondContact O-N 3.3Å; V99-I103 HydrophobicContact CG2-CD1 4.21Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 2.76Å; V99-I103 PolarHBondContact O-N 3.45Å; V99-L112 HydrophobicContact CG2-CB 4.47Å; V99-L112 HydrophobicContact CG2-CD2 3.85Å; V99-L112 WeakPolarHBondContact CG2-O 3.3Å; V99-R116 HydrophobicContact CG1-CB 3.92Å; V99-R116 HydrophobicContact CG1-CG 3.96Å; V99-R116 HydrophobicContact CG2-CB 4.05Å
100G97.1Very high95.5Very high7 Ų758.4 Ų58.47%0.07228%0.277CS..Hα-helixtrans-61.3-49.4174.700000112.2L96 R97 F98 L102 I103 E104L96-G100 PolarHBondContact O-N 2.79Å; R97-G100 WeakPolarHBondContact O-CA 3.32Å; R97-G100 PolarHBondContact O-N 3.17Å; R97-G100 VanDerWaalsContact O-N 3.1Å; F98-G100 VanDerWaalsContact C-N 3.31Å; F98-G100 PolarHBondContact O-N 2.89Å; G100-L102 VanDerWaalsContact C-N 3.31Å; G100-L102 PolarHBondContact O-N 2.86Å; G100-I103 PolarHBondContact O-N 2.89Å; G100-I103 VanDerWaalsContact O-N 3.08Å; G100-E104 PolarHBondContact O-N 3.03Å; G100-E104 VanDerWaalsContact O-N 3.12Å
101E95.6Very high96.4Very high121 Ų12159.3 Ų59.357%0.56528%0.278SS*.Hα-helixtrans-58.7-41.3176.5-70.3173.3-171.200111.8R97 F98 E104R97-E101 WeakPolarHBondContact O-CG 3.46Å; R97-E101 PolarHBondContact O-N 3.39Å; F98-E101 PolarHBondContact O-N 2.94Å; E101-E104 PolarHBondContact O-N 3.4Å
102L96.5Very high96.6Very high6 Ų655 Ų553%0.03126%0.255CS..Hα-helixtrans-69.1-32.4175.9-68.4173.7000112.8L69 W78 F98 V99 G100 E104 D105 Y106 L112L69-L102 HydrophobicContact CD2-CD2 3.81Å; W78-L102 HydrophobicContact CH2-CD1 3.86Å; W78-L102 HydrophobicContact CZ2-CD1 4.07Å; F98-L102 HydrophobicContact CD1-CD1 4.32Å; F98-L102 HydrophobicContact CE1-CD1 3.68Å; F98-L102 HydrophobicContact CE2-CD1 3.92Å; F98-L102 HydrophobicContact CE2-CG 4.49Å; F98-L102 HydrophobicContact CZ-CD1 3.46Å; F98-L102 VanDerWaalsContact CZ-CD1 3.46Å; F98-L102 HydrophobicContact CZ-CG 4.48Å; F98-L102 PolarHBondContact O-N 3.23Å; V99-L102 PolarHBondContact O-N 3.3Å; G100-L102 VanDerWaalsContact C-N 3.31Å; G100-L102 PolarHBondContact O-N 2.86Å; L102-E104 VanDerWaalsContact C-N 3.32Å; L102-D105 PolarHBondContact O-N 3.12Å; L102-Y106 HydrophobicContact CD2-CD2 4.39Å; L102-Y106 HydrophobicContact CD2-CE2 4.33Å; L102-Y106 WeakPolarHBondContact O-CB 3.45Å; L102-Y106 WeakPolarHBondContact O-CD2 3.17Å; L102-Y106 PolarHBondContact O-N 3.23Å; L102-L112 HydrophobicContact CB-CD1 3.96Å; L102-L112 HydrophobicContact CB-CD2 3.47Å; L102-L112 VanDerWaalsContact CB-CD2 3.47Å; L102-L112 HydrophobicContact CB-CG 4.43Å; L102-L112 HydrophobicContact CD1-CD2 3.84Å; L102-L112 HydrophobicContact CG-CD2 4.32Å; L102-L112 WeakPolarHBondContact O-CD1 3.35Å
103I97.6Very high96.7Very high0 Ų055 Ų550%025%0.254CS..Hα-helixtrans-68.7-33.2176.8-74.8167.6000111.1V99 G100 D105 Y106 S107 L112 W113 R116 F144 V148V99-I103 HydrophobicContact CG2-CD1 4.21Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 2.76Å; V99-I103 PolarHBondContact O-N 3.45Å; G100-I103 PolarHBondContact O-N 2.89Å; G100-I103 VanDerWaalsContact O-N 3.08Å; I103-D105 VanDerWaalsContact C-N 3.26Å; I103-D105 PolarHBondContact O-N 3.12Å; I103-Y106 PolarHBondContact O-N 3.07Å; I103-S107 WeakPolarHBondContact O-CA 3.47Å; I103-S107 WeakPolarHBondContact O-CB 3.27Å; I103-S107 PolarHBondContact O-N 2.92Å; I103-L112 HydrophobicContact CD1-CB 4.36Å; I103-L112 HydrophobicContact CG1-CB 3.78Å; I103-L112 HydrophobicContact CG1-CD1 4.08Å; I103-L112 HydrophobicContact CG1-CG 4.39Å; I103-W113 HydrophobicContact CD1-CD2 4.33Å; I103-W113 HydrophobicContact CD1-CE3 4.38Å; I103-W113 HydrophobicContact CG2-CH2 4.22Å; I103-W113 HydrophobicContact CG2-CZ2 3.84Å; I103-R116 HydrophobicContact CD1-CB 4.28Å; I103-F144 HydrophobicContact CB-CZ 3.95Å; I103-F144 HydrophobicContact CD1-CE1 4.07Å; I103-F144 HydrophobicContact CD1-CZ 3.84Å; I103-F144 HydrophobicContact CG2-CE1 4.3Å; I103-F144 HydrophobicContact CG2-CZ 3.69Å; I103-V148 HydrophobicContact CG2-CG2 4.01Å
104E94Very high96.9Very high132 Ų13256.2 Ų56.262%0.61726%0.257SS*.Hα-helixtrans-56.3-43.2174.4-68.5-179.9-174.100111.4G100 E101 L102G100-E104 PolarHBondContact O-N 3.03Å; G100-E104 VanDerWaalsContact O-N 3.12Å; E101-E104 PolarHBondContact O-N 3.4Å; L102-E104 VanDerWaalsContact C-N 3.32Å
105D93.9Very high97.1Very high95 Ų9555.3 Ų55.351%0.50825%0.249SC..Hα-helixtrans-86.2-29-179.8-72.3-32.3000113.5L102 I103L102-D105 PolarHBondContact O-N 3.12Å; I103-D105 VanDerWaalsContact C-N 3.26Å; I103-D105 PolarHBondContact O-N 3.12Å
106Y95.9Very high97.1Very high97 Ų9755.8 Ų55.838%0.3825%0.25SS..Hα-helixtrans-132.140.2-168.9-51.5-72.9000113.6P72 L102 I103 K108 N109P72-Y106 HydrophobicContact CB-CD2 4.36Å; P72-Y106 HydrophobicContact CG-CD1 4.02Å; P72-Y106 HydrophobicContact CG-CD2 3.89Å; P72-Y106 HydrophobicContact CG-CE1 4.29Å; P72-Y106 HydrophobicContact CG-CE2 4.17Å; P72-Y106 HydrophobicContact CG-CG 3.82Å; L102-Y106 HydrophobicContact CD2-CD2 4.39Å; L102-Y106 HydrophobicContact CD2-CE2 4.33Å; L102-Y106 WeakPolarHBondContact O-CB 3.45Å; L102-Y106 WeakPolarHBondContact O-CD2 3.17Å; L102-Y106 PolarHBondContact O-N 3.23Å; I103-Y106 PolarHBondContact O-N 3.07Å; Y106-K108 PolarHBondContact O-N 3.49Å; Y106-N109 VanDerWaalsContact O-CB 3.24Å; Y106-N109 WeakPolarHBondContact O-CB 3.45Å; Y106-N109 PolarHBondContact O-N 3.46Å
107S97Very high97.2Very high23 Ų2357.4 Ų57.416%0.16126%0.257CS..THydrogen-bonded Turntrans-56.6-10.3-174.370.40000116.4I103 W113 N155I103-S107 WeakPolarHBondContact O-CA 3.47Å; I103-S107 WeakPolarHBondContact O-CB 3.27Å; I103-S107 PolarHBondContact O-N 2.92Å; S107-W113 PolarHBondContact O-NE1 3.45Å; S107-N155 WeakPolarHBondContact CB-ND2 3.42Å; S107-N155 PolarHBondContact O-ND2 3.09Å; S107-N155 PolarHBondContact OG-ND2 2.88Å
108K97.6Very high97.3Very high142 Ų14252 Ų5262%0.61724%0.237SC*.THydrogen-bonded Turntrans-103.821.8177.9-59.5-174.1-178.5-177.50113.8Y106 D152 H157Y106-K108 PolarHBondContact O-N 3.49Å; K108-D152 WeakPolarHBondContact CE-OD2 3.43Å; K108-D152 IonicContact NZ-OD2 2.6Å; K108-D152 PolarHBondContact NZ-OD2 2.92Å; K108-H157 PolarHBondContact O-NE2 2.96Å
109N97.9Very high97.4Very high17 Ų1750.5 Ų50.59%0.09123%0.23CC..  trans-101.6124.2179.5178.9-67.8000111.5P72 A73 Y106 Q111 L112 W113P72-N109 PolarHBondContact O-ND2 3.17Å; P72-N109 VanDerWaalsContact O-ND2 3.08Å; A73-N109 WeakPolarHBondContact CA-ND2 3.45Å; A73-N109 PolarHBondContact N-ND2 3.37Å; Y106-N109 VanDerWaalsContact O-CB 3.24Å; Y106-N109 WeakPolarHBondContact O-CB 3.45Å; Y106-N109 PolarHBondContact O-N 3.46Å; N109-Q111 PolarHBondContact O-N 3.42Å; N109-Q111 WeakPolarHBondContact OD1-CA 3.49Å; N109-Q111 WeakPolarHBondContact OD1-CB 3.26Å; N109-Q111 PolarHBondContact OD1-N 2.89Å; N109-Q111 PolarHBondContact OD1-OE1 2.89Å; N109-Q111 VanDerWaalsContact OD1-OE1 3.05Å; N109-L112 HydrophobicContact CB-CB 4.37Å; N109-L112 HydrophobicContact CB-CD1 3.91Å; N109-L112 HydrophobicContact CB-CG 4.14Å; N109-L112 PolarHBondContact OD1-N 2.95Å; N109-W113 VanDerWaalsContact O-CD1 3.23Å
110Y98.5Very high97.4Very high161 Ų16150.5 Ų50.563%0.63123%0.23SC*.Hα-helixtrans-61.2-40.9-178.9-76.8-91.3000113.8H114 H157Y110-H114 WeakPolarHBondContact O-CB 3.29Å; Y110-H114 PolarHBondContact O-N 2.95Å; Y110-H114 VanDerWaalsContact O-N 3.09Å; Y110-H157 AromaticContact CD1-CE1 3.65Å; Y110-H157 AromaticContact CD2-CE1 3.75Å; Y110-H157 AromaticContact CE1-CE1 3.63Å; Y110-H157 AromaticContact CE2-CE1 3.72Å; Y110-H157 AromaticContact CG-CE1 3.71Å; Y110-H157 AromaticContact CZ-CE1 3.66Å
111Q98.5Very high97.5Very high47 Ų4753.5 Ų53.522%0.2224%0.242CC..Hα-helixtrans-68.8-36.5-172.9-64.769.529.200111.7W78 N109 H114 H115W78-Q111 HydrophobicContact CG-CB 3.98Å; N109-Q111 PolarHBondContact O-N 3.42Å; N109-Q111 WeakPolarHBondContact OD1-CA 3.49Å; N109-Q111 WeakPolarHBondContact OD1-CB 3.26Å; N109-Q111 PolarHBondContact OD1-N 2.89Å; N109-Q111 PolarHBondContact OD1-OE1 2.89Å; N109-Q111 VanDerWaalsContact OD1-OE1 3.05Å; Q111-H114 PolarHBondContact O-N 3.43Å; Q111-H115 VanDerWaalsContact O-CB 3.24Å; Q111-H115 WeakPolarHBondContact O-CB 3.24Å; Q111-H115 PolarHBondContact O-N 2.93Å
112L98.1Very high97.6Very high0 Ų050.2 Ų50.20%023%0.226CC..Hα-helixtrans-60.1-49.3176.4-75.4177.3000112.4W78 V99 L102 I103 N109 H115 R116W78-L112 HydrophobicContact CH2-CD2 3.66Å; W78-L112 HydrophobicContact CZ2-CD2 3.3Å; W78-L112 HydrophobicContact CZ2-CG 4.18Å; V99-L112 HydrophobicContact CG2-CB 4.47Å; V99-L112 HydrophobicContact CG2-CD2 3.85Å; V99-L112 WeakPolarHBondContact CG2-O 3.3Å; L102-L112 HydrophobicContact CB-CD1 3.96Å; L102-L112 HydrophobicContact CB-CD2 3.47Å; L102-L112 VanDerWaalsContact CB-CD2 3.47Å; L102-L112 HydrophobicContact CB-CG 4.43Å; L102-L112 HydrophobicContact CD1-CD2 3.84Å; L102-L112 HydrophobicContact CG-CD2 4.32Å; L102-L112 WeakPolarHBondContact O-CD1 3.35Å; I103-L112 HydrophobicContact CD1-CB 4.36Å; I103-L112 HydrophobicContact CG1-CB 3.78Å; I103-L112 HydrophobicContact CG1-CD1 4.08Å; I103-L112 HydrophobicContact CG1-CG 4.39Å; N109-L112 HydrophobicContact CB-CB 4.37Å; N109-L112 HydrophobicContact CB-CD1 3.91Å; N109-L112 HydrophobicContact CB-CG 4.14Å; N109-L112 PolarHBondContact OD1-N 2.95Å; L112-H115 PolarHBondContact O-N 3.4Å; L112-R116 WeakPolarHBondContact O-CB 3.24Å; L112-R116 PolarHBondContact O-N 3.37Å
113W98.6Very high97.6Very high11 Ų1150 Ų504%0.04223%0.225CC..Hα-helixtrans-67-40.2179.3-69.7100.9000112.2I103 S107 N109 R116 Q117 F144 V145 V148 H157 A158 H161I103-W113 HydrophobicContact CD1-CD2 4.33Å; I103-W113 HydrophobicContact CD1-CE3 4.38Å; I103-W113 HydrophobicContact CG2-CH2 4.22Å; I103-W113 HydrophobicContact CG2-CZ2 3.84Å; S107-W113 PolarHBondContact O-NE1 3.45Å; N109-W113 VanDerWaalsContact O-CD1 3.23Å; W113-R116 PolarHBondContact O-N 3.44Å; W113-Q117 WeakPolarHBondContact O-CB 3.24Å; W113-Q117 PolarHBondContact O-N 3.45Å; W113-F144 HydrophobicContact CH2-CE1 4.17Å; W113-F144 HydrophobicContact CZ3-CE1 4.1Å; W113-V145 HydrophobicContact CH2-CG2 4.28Å; W113-V145 HydrophobicContact CZ3-CG2 4.24Å; W113-V148 HydrophobicContact CH2-CB 4.29Å; W113-V148 HydrophobicContact CH2-CG1 4.11Å; W113-V148 HydrophobicContact CH2-CG2 4.21Å; W113-V148 HydrophobicContact CZ2-CG1 3.94Å; W113-H157 HydrophobicContact CB-CB 4.48Å; W113-H157 AromaticContact CD1-CG 3.64Å; W113-H157 HydrophobicContact CD2-CB 3.91Å; W113-H157 HydrophobicContact CG-CB 3.65Å; W113-H157 HydrophobicContact CZ2-CB 4.42Å; W113-H157 AromaticContact NE1-CG 3.87Å; W113-A158 HydrophobicContact CH2-CB 3.7Å; W113-A158 HydrophobicContact CZ2-CB 3.86Å; W113-H161 HydrophobicContact CD2-CB 4.47Å; W113-H161 HydrophobicContact CE3-CB 3.52Å; W113-H161 AromaticContact CE3-CD2 3.72Å; W113-H161 AromaticContact CE3-CG 3.51Å; W113-H161 HydrophobicContact CZ3-CB 3.74Å; W113-H161 AromaticContact CZ3-CD2 3.59Å; W113-H161 AromaticContact CZ3-CG 3.78Å
114H98.6Very high97.5Very high100 Ų10050.9 Ų50.946%0.46323%0.231SC..Hα-helixtrans-62.4-43.3174.5179.356.1000112.1Y110 Q111 Q117 W118Y110-H114 WeakPolarHBondContact O-CB 3.29Å; Y110-H114 PolarHBondContact O-N 2.95Å; Y110-H114 VanDerWaalsContact O-N 3.09Å; Q111-H114 PolarHBondContact O-N 3.43Å; H114-Q117 WeakPolarHBondContact O-CB 3.22Å; H114-Q117 PolarHBondContact O-N 2.95Å; H114-W118 PolarHBondContact O-N 2.66Å
115H98.6Very high97.6Very high0 Ų050.4 Ų50.40%023%0.229CC..Hα-helixtrans-66.8-44.6178.4-171.376.1000111.6W78 R82 E95 Q111 L112 Q117 W118 V119W78-H115 HydrophobicContact CD2-CB 4.3Å; W78-H115 HydrophobicContact CE3-CB 3.76Å; W78-H115 AromaticContact CE3-CD2 3.7Å; W78-H115 AromaticContact CE3-CE1 3.86Å; W78-H115 AromaticContact CE3-CG 3.38Å; W78-H115 AromaticContact CE3-ND1 3.53Å; W78-H115 AromaticContact CE3-NE2 3.96Å; W78-H115 HydrophobicContact CZ3-CB 3.95Å; W78-H115 AromaticContact CZ3-CD2 3.25Å; W78-H115 WeakPolarHBondContact CZ3-CD2 3.36Å; W78-H115 AromaticContact CZ3-CE1 3.99Å; W78-H115 AromaticContact CZ3-CG 3.44Å; W78-H115 VanDerWaalsContact CZ3-CG 3.44Å; W78-H115 AromaticContact CZ3-ND1 3.94Å; W78-H115 AromaticContact CZ3-NE2 3.61Å; R82-H115 WeakPolarHBondContact CG-ND1 3.45Å; E95-H115 IonicContact OE1-CD2 2.83Å; E95-H115 IonicContact OE1-CE1 3.18Å; E95-H115 IonicContact OE1-NE2 2.85Å; E95-H115 PolarHBondContact OE1-NE2 2.93Å; Q111-H115 VanDerWaalsContact O-CB 3.24Å; Q111-H115 WeakPolarHBondContact O-CB 3.24Å; Q111-H115 PolarHBondContact O-N 2.93Å; L112-H115 PolarHBondContact O-N 3.4Å; H115-Q117 VanDerWaalsContact C-N 3.3Å; H115-Q117 PolarHBondContact O-N 3Å; H115-W118 WeakPolarHBondContact O-CB 3.48Å; H115-W118 PolarHBondContact O-N 3.28Å; H115-W118 VanDerWaalsContact O-N 3.1Å; H115-V119 WeakPolarHBondContact O-CG2 3.48Å; H115-V119 PolarHBondContact O-N 2.77Å
116R98.5Very high97.7Very high17 Ų1752.3 Ų52.36%0.06424%0.235CC..Hα-helixtrans-56.8-45.3174.7-172.5176.8-174.685.72.6111.5L96 V99 I103 L112 W113 W118 V119 I120 E141 F144L96-R116 HydrophobicContact CD2-CG 4.38Å; L96-R116 PolarHBondContact O-NH1 3.47Å; V99-R116 HydrophobicContact CG1-CB 3.92Å; V99-R116 HydrophobicContact CG1-CG 3.96Å; V99-R116 HydrophobicContact CG2-CB 4.05Å; I103-R116 HydrophobicContact CD1-CB 4.28Å; L112-R116 WeakPolarHBondContact O-CB 3.24Å; L112-R116 PolarHBondContact O-N 3.37Å; W113-R116 PolarHBondContact O-N 3.44Å; R116-W118 PolarHBondContact O-N 2.76Å; R116-V119 PolarHBondContact O-N 2.78Å; R116-I120 WeakPolarHBondContact O-CG1 3.37Å; R116-I120 PolarHBondContact O-N 3.06Å; R116-E141 WeakPolarHBondContact CD-OE1 3.13Å; R116-E141 IonicContact CZ-OE1 3.35Å; R116-E141 IonicContact CZ-OE2 3.75Å; R116-E141 VanDerWaalsContact CZ-OE2 3.23Å; R116-E141 VanDerWaalsContact NE-CD 3.34Å; R116-E141 IonicContact NE-OE1 2.7Å; R116-E141 PolarHBondContact NE-OE1 3.25Å; R116-E141 IonicContact NE-OE2 3.43Å; R116-E141 PolarHBondContact NE-OE2 3.04Å; R116-E141 IonicContact NH2-OE1 3.57Å; R116-E141 IonicContact NH2-OE2 3.89Å; R116-E141 PolarHBondContact NH2-OE2 3.36Å; R116-F144 VanDerWaalsContact CZ-CD1 3.45Å; R116-F144 VanDerWaalsContact NE-CD1 3.27Å
117Q98.6Very high97.6Very high53 Ų5350 Ų5025%0.24823%0.229CC..Hα-helixtrans-55.3-49.8174-169.6-174.5-43.800111.6W113 H114 H115 V119 I120 E121 W164W113-Q117 WeakPolarHBondContact O-CB 3.24Å; W113-Q117 PolarHBondContact O-N 3.45Å; H114-Q117 WeakPolarHBondContact O-CB 3.22Å; H114-Q117 PolarHBondContact O-N 2.95Å; H115-Q117 VanDerWaalsContact C-N 3.3Å; H115-Q117 PolarHBondContact O-N 3Å; Q117-V119 VanDerWaalsContact C-N 3.34Å; Q117-V119 PolarHBondContact O-N 3.47Å; Q117-I120 PolarHBondContact O-N 2.87Å; Q117-E121 PolarHBondContact NE2-OE1 3.25Å; Q117-E121 WeakPolarHBondContact O-CG 3.11Å; Q117-E121 PolarHBondContact O-N 3.47Å; Q117-W164 HydrophobicContact CB-CH2 4.38Å; Q117-W164 HydrophobicContact CB-CZ3 4.34Å; Q117-W164 HydrophobicContact CG-CD2 3.6Å; Q117-W164 HydrophobicContact CG-CE3 3.73Å; Q117-W164 HydrophobicContact CG-CG 4.38Å; Q117-W164 HydrophobicContact CG-CH2 3.52Å; Q117-W164 HydrophobicContact CG-CZ2 3.35Å; Q117-W164 HydrophobicContact CG-CZ3 3.71Å
118W98.5Very high97.5Very high32 Ų3255.3 Ų55.312%0.12125%0.251CS..Hα-helixtrans-58.8-42.8178.3176.390.5000112.6R82 I85 E86 H114 H115 R116 E121 K122R82-W118 HydrophobicContact CB-CH2 4.03Å; R82-W118 HydrophobicContact CB-CZ2 3.91Å; R82-W118 HydrophobicContact CB-CZ3 4.42Å; R82-W118 VanDerWaalsContact CD-CD2 3.4Å; R82-W118 HydrophobicContact CG-CD2 3.82Å; R82-W118 HydrophobicContact CG-CE3 3.79Å; R82-W118 HydrophobicContact CG-CG 4.48Å; R82-W118 HydrophobicContact CG-CH2 3.99Å; R82-W118 HydrophobicContact CG-CZ2 4Å; R82-W118 HydrophobicContact CG-CZ3 3.88Å; I85-W118 HydrophobicContact CB-CH2 4.11Å; I85-W118 HydrophobicContact CD1-CZ3 4.27Å; I85-W118 HydrophobicContact CG2-CH2 3.67Å; I85-W118 HydrophobicContact CG2-CZ3 4.02Å; E86-W118 HydrophobicContact CG-CH2 4.13Å; E86-W118 HydrophobicContact CG-CZ2 3.7Å; H114-W118 PolarHBondContact O-N 2.66Å; H115-W118 WeakPolarHBondContact O-CB 3.48Å; H115-W118 PolarHBondContact O-N 3.28Å; H115-W118 VanDerWaalsContact O-N 3.1Å; R116-W118 PolarHBondContact O-N 2.76Å; W118-E121 PolarHBondContact O-N 2.75Å; W118-K122 HydrophobicContact CD2-CG 4.15Å; W118-K122 HydrophobicContact CE3-CG 4.44Å; W118-K122 HydrophobicContact CH2-CG 4.26Å; W118-K122 HydrophobicContact CZ2-CD 4.34Å; W118-K122 VanDerWaalsContact CZ2-CE 3.49Å; W118-K122 HydrophobicContact CZ2-CG 3.96Å; W118-K122 HydrophobicContact CZ3-CG 4.48Å; W118-K122 WeakPolarHBondContact O-CG 3.39Å; W118-K122 PolarHBondContact O-N 3.14Å
119V98.2Very high97.4Very high0 Ų056 Ų560%026%0.262CS..Hα-helixtrans-63.2-45.4177.6-177.30000110.6L92 E95 L96 H115 R116 Q117 E121 K122 V123L92-V119 HydrophobicContact CB-CG1 4.23Å; L92-V119 HydrophobicContact CD2-CG1 4.49Å; E95-V119 HydrophobicContact CB-CG1 4.24Å; E95-V119 HydrophobicContact CB-CG2 4.36Å; E95-V119 HydrophobicContact CG-CG1 4.34Å; E95-V119 HydrophobicContact CG-CG2 3.59Å; L96-V119 HydrophobicContact CD1-CG1 4.46Å; L96-V119 HydrophobicContact CD2-CB 3.81Å; L96-V119 HydrophobicContact CD2-CG1 3.52Å; L96-V119 HydrophobicContact CG-CB 4.39Å; L96-V119 HydrophobicContact CG-CG1 3.54Å; H115-V119 WeakPolarHBondContact O-CG2 3.48Å; H115-V119 PolarHBondContact O-N 2.77Å; R116-V119 PolarHBondContact O-N 2.78Å; Q117-V119 VanDerWaalsContact C-N 3.34Å; Q117-V119 PolarHBondContact O-N 3.47Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-E121 PolarHBondContact O-N 3.38Å; V119-K122 PolarHBondContact O-N 3.2Å; V119-V123 HydrophobicContact CG1-CG2 4.21Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.45Å; V119-V123 PolarHBondContact O-N 3.26Å
120I98.4Very high97.3Very high0 Ų058.5 Ų58.50%028%0.275CS..Hα-helixtrans-61.1-41.3177.4-65.1-68.8000111.4L96 R116 Q117 K122 V123 S124 L137 E141 W164 F169L96-I120 HydrophobicContact CD1-CD1 3.83Å; L96-I120 HydrophobicContact CD2-CD1 3.54Å; L96-I120 HydrophobicContact CD2-CG1 3.88Å; L96-I120 HydrophobicContact CG-CD1 4.36Å; R116-I120 WeakPolarHBondContact O-CG1 3.37Å; R116-I120 PolarHBondContact O-N 3.06Å; Q117-I120 PolarHBondContact O-N 2.87Å; I120-K122 PolarHBondContact O-N 2.99Å; I120-V123 PolarHBondContact O-N 3.13Å; I120-S124 WeakPolarHBondContact O-CB 3.47Å; I120-S124 PolarHBondContact O-N 3.21Å; I120-L137 HydrophobicContact CD1-CD1 3.77Å; I120-L137 HydrophobicContact CD1-CG 4.39Å; I120-L137 HydrophobicContact CG2-CD2 4.32Å; I120-E141 HydrophobicContact CD1-CG 4.29Å; I120-E141 HydrophobicContact CG1-CG 4.44Å; I120-W164 HydrophobicContact CB-CH2 3.87Å; I120-W164 HydrophobicContact CB-CZ3 4.37Å; I120-W164 HydrophobicContact CG2-CH2 3.63Å; I120-W164 HydrophobicContact CG2-CZ3 4.17Å; I120-F169 HydrophobicContact CG2-CE2 3.87Å; I120-F169 HydrophobicContact CG2-CZ 3.61Å
121E98Very high97.2Very high69 Ų6955.2 Ų55.232%0.32228%0.275SS..Hα-helixtrans-60.5-44175.7-72.3174.6-178.300111.6Q117 W118 V119 S124 Q125 W164 F168Q117-E121 PolarHBondContact NE2-OE1 3.25Å; Q117-E121 WeakPolarHBondContact O-CG 3.11Å; Q117-E121 PolarHBondContact O-N 3.47Å; W118-E121 PolarHBondContact O-N 2.75Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-E121 PolarHBondContact O-N 3.38Å; E121-S124 PolarHBondContact O-N 2.98Å; E121-Q125 WeakPolarHBondContact O-CB 3.49Å; E121-Q125 PolarHBondContact O-N 3.09Å; E121-W164 HydrophobicContact CG-CH2 4.29Å; E121-W164 HydrophobicContact CG-CZ2 3.67Å; E121-F168 HydrophobicContact CG-CE2 4.07Å; E121-F168 HydrophobicContact CG-CZ 4.09Å
122K97.2Very high97.1Very high53 Ų5357.1 Ų57.123%0.2329%0.294CS..Hα-helixtrans-65.4-46.2176.9-68.6-66.3-172.3173.50112.5E86 L92 W118 V119 I120 S124 Q125 Q126E86-K122 WeakPolarHBondContact OE1-CE 3.35Å; E86-K122 IonicContact OE1-NZ 3.56Å; E86-K122 PolarHBondContact OE1-NZ 3.12Å; L92-K122 HydrophobicContact CD1-CB 3.68Å; W118-K122 HydrophobicContact CD2-CG 4.15Å; W118-K122 HydrophobicContact CE3-CG 4.44Å; W118-K122 HydrophobicContact CH2-CG 4.26Å; W118-K122 HydrophobicContact CZ2-CD 4.34Å; W118-K122 VanDerWaalsContact CZ2-CE 3.49Å; W118-K122 HydrophobicContact CZ2-CG 3.96Å; W118-K122 HydrophobicContact CZ3-CG 4.48Å; W118-K122 WeakPolarHBondContact O-CG 3.39Å; W118-K122 PolarHBondContact O-N 3.14Å; V119-K122 PolarHBondContact O-N 3.2Å; I120-K122 PolarHBondContact O-N 2.99Å; K122-S124 VanDerWaalsContact C-N 3.32Å; K122-S124 PolarHBondContact O-N 3.43Å; K122-Q125 PolarHBondContact O-N 3.47Å; K122-Q126 WeakPolarHBondContact O-CG 3.37Å; K122-Q126 PolarHBondContact O-N 2.86Å
123V96.6Very high97.1Very high2 Ų259.7 Ų59.71%0.01231%0.305CS..Hα-helixtrans-61.2-42.7177.6171.90000110.7L92 L96 V119 I120 Q126 N127 F133 L137L92-V123 HydrophobicContact CB-CG2 3.42Å; L92-V123 VanDerWaalsContact CB-CG2 3.42Å; L92-V123 HydrophobicContact CD1-CG2 3.7Å; L92-V123 HydrophobicContact CG-CG2 4.21Å; L96-V123 HydrophobicContact CD1-CG2 4.37Å; V119-V123 HydrophobicContact CG1-CG2 4.21Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.45Å; V119-V123 PolarHBondContact O-N 3.26Å; I120-V123 PolarHBondContact O-N 3.13Å; V123-Q126 PolarHBondContact O-N 2.88Å; V123-N127 PolarHBondContact O-N 3.16Å; V123-N127 PolarHBondContact O-ND2 3.17Å; V123-F133 HydrophobicContact CG1-CE1 3.6Å; V123-F133 HydrophobicContact CG1-CZ 3.68Å; V123-L137 HydrophobicContact CB-CD2 4.39Å; V123-L137 HydrophobicContact CG1-CD1 4.16Å; V123-L137 HydrophobicContact CG1-CD2 3.85Å
124S96.9Very high97Very high18 Ų1860.7 Ų60.713%0.12631%0.311CS..Hα-helixtrans-62.3-45.2175.1-178.90000111.7I120 E121 K122 Q126 N127 Q128I120-S124 WeakPolarHBondContact O-CB 3.47Å; I120-S124 PolarHBondContact O-N 3.21Å; E121-S124 PolarHBondContact O-N 2.98Å; K122-S124 VanDerWaalsContact C-N 3.32Å; K122-S124 PolarHBondContact O-N 3.43Å; S124-Q126 PolarHBondContact O-N 3.31Å; S124-N127 CarbonylContact O-C 3.45Å; S124-N127 PolarHBondContact O-N 2.83Å; S124-N127 VanDerWaalsContact O-N 3.17Å; S124-Q128 WeakPolarHBondContact O-CA 3.45Å; S124-Q128 PolarHBondContact O-N 3.16Å
125Q95.8Very high97Very high122 Ų12260.4 Ų60.457%0.5732%0.317SS*.Hα-helixtrans-60.6-42.7177.4-174-178.811.100112.4E121 K122 N127E121-Q125 WeakPolarHBondContact O-CB 3.49Å; E121-Q125 PolarHBondContact O-N 3.09Å; K122-Q125 PolarHBondContact O-N 3.47Å; Q125-N127 PolarHBondContact O-N 2.82Å
126Q94.6Very high96.9Very high135 Ų13565.4 Ų65.463%0.63134%0.34SS*.Hα-helixtrans-64.5-28178.2-73.3178.6-8.900112.8K122 V123 S124K122-Q126 WeakPolarHBondContact O-CG 3.37Å; K122-Q126 PolarHBondContact O-N 2.86Å; V123-Q126 PolarHBondContact O-N 2.88Å; S124-Q126 PolarHBondContact O-N 3.31Å
127N95.5Very high96.9Very high47 Ų4764.9 Ų64.925%0.25134%0.338SS..THydrogen-bonded Turntrans-116.920-173.8-62.5-79.4000113.1V123 S124 Q125 N129 D130 F133 I134V123-N127 PolarHBondContact O-N 3.16Å; V123-N127 PolarHBondContact O-ND2 3.17Å; S124-N127 CarbonylContact O-C 3.45Å; S124-N127 PolarHBondContact O-N 2.83Å; S124-N127 VanDerWaalsContact O-N 3.17Å; Q125-N127 PolarHBondContact O-N 2.82Å; N127-N129 PolarHBondContact O-N 3.21Å; N127-D130 PolarHBondContact O-N 3.36Å; N127-F133 HydrophobicContact CB-CB 4.45Å; N127-F133 HydrophobicContact CB-CD1 3.27Å; N127-F133 HydrophobicContact CB-CE1 3.56Å; N127-F133 HydrophobicContact CB-CG 3.9Å; N127-F133 HydrophobicContact CB-CZ 4.4Å; N127-F133 WeakPolarHBondContact ND2-CE1 3.46Å; N127-I134 HydrophobicContact CB-CD1 4.48Å
128Q93.9Very high96.8Very high136 Ų13663 Ų6364%0.63633%0.331SS*.THydrogen-bonded Turntrans-57.8-22.8-172.665.6178.6-7.800114.7S124S124-Q128 WeakPolarHBondContact O-CA 3.45Å; S124-Q128 PolarHBondContact O-N 3.16Å
129N95.7Very high96.8Very high157 Ų15763.5 Ų63.584%0.8434%0.339SS*.THydrogen-bonded Turntrans-89.8-8.8179.4-64.7-36.2000113.3N127N127-N129 PolarHBondContact O-N 3.21Å
130D96.9Very high96.8Very high69 Ų6968.3 Ų68.337%0.36936%0.361SS..  trans-103.289.2177.1-172.6-17.5000110N127 S132 F133 I134N127-D130 PolarHBondContact O-N 3.36Å; D130-S132 PolarHBondContact O-N 3.49Å; D130-S132 VanDerWaalsContact O-N 3.15Å; D130-S132 WeakPolarHBondContact OD1-CA 3.46Å; D130-S132 WeakPolarHBondContact OD1-CB 3.34Å; D130-S132 PolarHBondContact OD1-N 3.03Å; D130-S132 PolarHBondContact OD1-OG 3.46Å; D130-F133 HydrophobicContact CB-CB 3.8Å; D130-F133 VanDerWaalsContact CG-CB 3.45Å; D130-F133 PolarHBondContact O-N 2.89Å; D130-F133 PolarHBondContact OD1-N 2.92Å; D130-I134 WeakPolarHBondContact O-CG1 3.44Å; D130-I134 PolarHBondContact O-N 3.22Å
131S95.6Very high96.8Very high91 Ų9168.4 Ų68.464%0.63636%0.362SS*.Hα-helixtrans-58.9-27.2178.8-172.80000113.2T135S131-T135 WeakPolarHBondContact O-CB 3.38Å; S131-T135 PolarHBondContact O-N 3.27Å; S131-T135 VanDerWaalsContact O-N 3.11Å; S131-T135 PolarHBondContact O-OG1 2.92Å
132S97.3Very high96.8Very high88 Ų8865.3 Ų65.362%0.61535%0.348SS*.Hα-helixtrans-74-42.6179.773.80000110.8D130 T135 H136D130-S132 PolarHBondContact O-N 3.49Å; D130-S132 VanDerWaalsContact O-N 3.15Å; D130-S132 WeakPolarHBondContact OD1-CA 3.46Å; D130-S132 WeakPolarHBondContact OD1-CB 3.34Å; D130-S132 PolarHBondContact OD1-N 3.03Å; D130-S132 PolarHBondContact OD1-OG 3.46Å; S132-T135 PolarHBondContact O-N 3.38Å; S132-H136 PolarHBondContact O-N 2.99Å
133F97.2Very high96.8Very high53 Ų5367.9 Ų67.923%0.23236%0.364CS..Hα-helixtrans-61.3-48173.2-177-83.9000111.5V123 N127 D130 T135 H136 L137V123-F133 HydrophobicContact CG1-CE1 3.6Å; V123-F133 HydrophobicContact CG1-CZ 3.68Å; N127-F133 HydrophobicContact CB-CB 4.45Å; N127-F133 HydrophobicContact CB-CD1 3.27Å; N127-F133 HydrophobicContact CB-CE1 3.56Å; N127-F133 HydrophobicContact CB-CG 3.9Å; N127-F133 HydrophobicContact CB-CZ 4.4Å; N127-F133 WeakPolarHBondContact ND2-CE1 3.46Å; D130-F133 HydrophobicContact CB-CB 3.8Å; D130-F133 VanDerWaalsContact CG-CB 3.45Å; D130-F133 PolarHBondContact O-N 2.89Å; D130-F133 PolarHBondContact OD1-N 2.92Å; F133-T135 VanDerWaalsContact C-N 3.3Å; F133-T135 PolarHBondContact O-N 2.68Å; F133-H136 PolarHBondContact O-N 2.87Å; F133-H136 VanDerWaalsContact O-N 3.15Å; F133-L137 HydrophobicContact CE1-CB 4.45Å; F133-L137 HydrophobicContact CE1-CD2 4.29Å; F133-L137 WeakPolarHBondContact O-CB 3.3Å; F133-L137 PolarHBondContact O-N 2.8Å
134I97.4Very high96.9Very high33 Ų3369.4 Ų69.417%0.16937%0.37CS..Hα-helixtrans-60.8-39.8179.1-64.2-60.3000111.8N127 D130 S138 F169N127-I134 HydrophobicContact CB-CD1 4.48Å; D130-I134 WeakPolarHBondContact O-CG1 3.44Å; D130-I134 PolarHBondContact O-N 3.22Å; I134-S138 WeakPolarHBondContact O-CB 3.43Å; I134-S138 PolarHBondContact O-N 2.91Å; I134-F169 HydrophobicContact CG2-CD1 3.87Å; I134-F169 HydrophobicContact CG2-CE1 4.04Å
135T96.9Very high96.9Very high94 Ų9468.5 Ų68.558%0.57736%0.364SS*.Hα-helixtrans-64.9-41.8176.4-57.80000111.4S131 S132 F133 S139S131-T135 WeakPolarHBondContact O-CB 3.38Å; S131-T135 PolarHBondContact O-N 3.27Å; S131-T135 VanDerWaalsContact O-N 3.11Å; S131-T135 PolarHBondContact O-OG1 2.92Å; S132-T135 PolarHBondContact O-N 3.38Å; F133-T135 VanDerWaalsContact C-N 3.3Å; F133-T135 PolarHBondContact O-N 2.68Å; T135-S139 PolarHBondContact O-N 3.28Å; T135-S139 VanDerWaalsContact O-N 3.13Å
136H97.4Very high97Very high105 Ų10563.5 Ų63.549%0.48635%0.346SS..Hα-helixtrans-65.1-49.1177.6-176.856.5000111.7S132 F133 S138 S139 E140S132-H136 PolarHBondContact O-N 2.99Å; F133-H136 PolarHBondContact O-N 2.87Å; F133-H136 VanDerWaalsContact O-N 3.15Å; H136-S138 VanDerWaalsContact C-N 3.29Å; H136-S138 PolarHBondContact O-N 3.07Å; H136-S139 WeakPolarHBondContact O-CA 3.3Å; H136-S139 WeakPolarHBondContact O-CB 3.45Å; H136-S139 PolarHBondContact O-N 3.16Å; H136-E140 IonicContact CD2-OE2 2.73Å; H136-E140 IonicContact CE1-OE1 3.25Å; H136-E140 IonicContact NE2-OE1 3.84Å; H136-E140 PolarHBondContact NE2-OE1 3.35Å; H136-E140 IonicContact NE2-OE2 3.56Å; H136-E140 PolarHBondContact O-N 2.85Å
137L97.7Very high97.2Very high6 Ų663.1 Ų63.13%0.03134%0.342CS..Hα-helixtrans-54.6-44.8176-178.966.8000111.8L96 I120 V123 F133 S139 E140 E141 F169L96-L137 HydrophobicContact CD1-CD1 4.37Å; I120-L137 HydrophobicContact CD1-CD1 3.77Å; I120-L137 HydrophobicContact CD1-CG 4.39Å; I120-L137 HydrophobicContact CG2-CD2 4.32Å; V123-L137 HydrophobicContact CB-CD2 4.39Å; V123-L137 HydrophobicContact CG1-CD1 4.16Å; V123-L137 HydrophobicContact CG1-CD2 3.85Å; F133-L137 HydrophobicContact CE1-CB 4.45Å; F133-L137 HydrophobicContact CE1-CD2 4.29Å; F133-L137 WeakPolarHBondContact O-CB 3.3Å; F133-L137 PolarHBondContact O-N 2.8Å; L137-S139 VanDerWaalsContact C-N 3.3Å; L137-S139 PolarHBondContact O-N 3.35Å; L137-E140 PolarHBondContact O-N 3.28Å; L137-E141 VanDerWaalsContact O-CB 3.28Å; L137-E141 WeakPolarHBondContact O-CB 3.12Å; L137-E141 PolarHBondContact O-N 2.89Å; L137-F169 HydrophobicContact CD2-CE1 4.15Å; L137-F169 HydrophobicContact CD2-CZ 3.88Å; L137-F169 HydrophobicContact CG-CE1 4.5Å; L137-F169 HydrophobicContact CG-CZ 4.04Å
138S98Very high97.3Very high14 Ų1461.5 Ų61.510%0.09833%0.334CS..Hα-helixtrans-60.9-38.5175.4178.70000112.3I134 H136 L142 F169I134-S138 WeakPolarHBondContact O-CB 3.43Å; I134-S138 PolarHBondContact O-N 2.91Å; H136-S138 VanDerWaalsContact C-N 3.29Å; H136-S138 PolarHBondContact O-N 3.07Å; S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 VanDerWaalsContact O-CG 3.23Å; S138-L142 WeakPolarHBondContact O-CG 3.38Å; S138-L142 PolarHBondContact O-N 3.22Å; S138-L142 VanDerWaalsContact O-N 3.14Å; S138-F169 WeakPolarHBondContact OG-CB 3.25Å
139S97.6Very high97.5Very high41 Ų4155 Ų5529%0.28730%0.303SS..Hα-helixtrans-70.4-48.2178.9-161.90000111.7T135 H136 L137 E141 L142 D143T135-S139 PolarHBondContact O-N 3.28Å; T135-S139 VanDerWaalsContact O-N 3.13Å; H136-S139 WeakPolarHBondContact O-CA 3.3Å; H136-S139 WeakPolarHBondContact O-CB 3.45Å; H136-S139 PolarHBondContact O-N 3.16Å; L137-S139 VanDerWaalsContact C-N 3.3Å; L137-S139 PolarHBondContact O-N 3.35Å; S139-E141 PolarHBondContact O-N 3.18Å; S139-L142 PolarHBondContact O-N 2.91Å; S139-D143 VanDerWaalsContact O-CG 3.26Å; S139-D143 PolarHBondContact O-N 3.27Å
140E97.6Very high97.5Very high101 Ų10151.2 Ų51.247%0.47229%0.289SS..Hα-helixtrans-58.2-40.1178.3-69-169.3129.900111.4H136 L137 D143 F144H136-E140 IonicContact CD2-OE2 2.73Å; H136-E140 IonicContact CE1-OE1 3.25Å; H136-E140 IonicContact NE2-OE1 3.84Å; H136-E140 PolarHBondContact NE2-OE1 3.35Å; H136-E140 IonicContact NE2-OE2 3.56Å; H136-E140 PolarHBondContact O-N 2.85Å; L137-E140 PolarHBondContact O-N 3.28Å; E140-D143 PolarHBondContact O-N 3.03Å; E140-F144 WeakPolarHBondContact O-CB 3.46Å; E140-F144 PolarHBondContact O-N 3.07Å
141E98.3Very high97.4Very high3 Ų354.3 Ų54.31%0.01431%0.306CS..Hα-helixtrans-71.5-35180-171.358.6-163.500112.6R116 I120 L137 S139 D143 V145 H161 I165R116-E141 WeakPolarHBondContact CD-OE1 3.13Å; R116-E141 IonicContact CZ-OE1 3.35Å; R116-E141 IonicContact CZ-OE2 3.75Å; R116-E141 VanDerWaalsContact CZ-OE2 3.23Å; R116-E141 VanDerWaalsContact NE-CD 3.34Å; R116-E141 IonicContact NE-OE1 2.7Å; R116-E141 PolarHBondContact NE-OE1 3.25Å; R116-E141 IonicContact NE-OE2 3.43Å; R116-E141 PolarHBondContact NE-OE2 3.04Å; R116-E141 IonicContact NH2-OE1 3.57Å; R116-E141 IonicContact NH2-OE2 3.89Å; R116-E141 PolarHBondContact NH2-OE2 3.36Å; I120-E141 HydrophobicContact CD1-CG 4.29Å; I120-E141 HydrophobicContact CG1-CG 4.44Å; L137-E141 VanDerWaalsContact O-CB 3.28Å; L137-E141 WeakPolarHBondContact O-CB 3.12Å; L137-E141 PolarHBondContact O-N 2.89Å; S139-E141 PolarHBondContact O-N 3.18Å; E141-D143 VanDerWaalsContact C-N 3.33Å; E141-V145 WeakPolarHBondContact O-CG1 3.28Å; E141-V145 PolarHBondContact O-N 3.15Å; E141-H161 IonicContact OE1-CD2 2.74Å; E141-H161 PolarHBondContact OE1-CD2 2.98Å; E141-H161 VanDerWaalsContact OE1-CD2 3.32Å; E141-H161 IonicContact OE1-CE1 3.34Å; E141-H161 IonicContact OE1-NE2 2.69Å; E141-H161 PolarHBondContact OE1-NE2 3.11Å; E141-I165 HydrophobicContact CB-CD1 4.49Å; E141-I165 HydrophobicContact CG-CD1 3.47Å; E141-I165 VanDerWaalsContact CG-CD1 3.47Å; E141-I165 HydrophobicContact CG-CG1 3.74Å; E141-I165 HydrophobicContact CG-CG2 4.49Å
142L98.3Very high97.5Very high4 Ų451.6 Ų51.62%0.02128%0.284CS..Hα-helixtrans-67.4-33.6171.5-74.4171.3000112.6S138 S139 V145 G146 R162 I165 I166 V171 K175S138-L142 WeakPolarHBondContact O-CB 3.43Å; S138-L142 VanDerWaalsContact O-CG 3.23Å; S138-L142 WeakPolarHBondContact O-CG 3.38Å; S138-L142 PolarHBondContact O-N 3.22Å; S138-L142 VanDerWaalsContact O-N 3.14Å; S139-L142 PolarHBondContact O-N 2.91Å; L142-V145 WeakPolarHBondContact O-CG1 3.16Å; L142-G146 PolarHBondContact O-N 3.3Å; L142-R162 HydrophobicContact CD2-CG 4.27Å; L142-R162 PolarHBondContact O-NH1 3.17Å; L142-R162 VanDerWaalsContact O-NH1 3.11Å; L142-I165 HydrophobicContact CD2-CB 4.43Å; L142-I165 HydrophobicContact CD2-CG2 3.68Å; L142-I165 HydrophobicContact CG-CG2 3.86Å; L142-I166 HydrophobicContact CD2-CG1 4.45Å; L142-V171 HydrophobicContact CD1-CG1 4.03Å; L142-V171 HydrophobicContact CD1-CG2 3.94Å; L142-K175 HydrophobicContact CD1-CD 4.42Å
143D98Very high97.5Very high106 Ų10649.8 Ų49.857%0.56727%0.27SS*.Hα-helixtrans-72.8-43.9176.9-67.7-21.9000110.5S139 E140 E141 G146 F147S139-D143 VanDerWaalsContact O-CG 3.26Å; S139-D143 PolarHBondContact O-N 3.27Å; E140-D143 PolarHBondContact O-N 3.03Å; E141-D143 VanDerWaalsContact C-N 3.33Å; D143-G146 PolarHBondContact O-N 3.21Å; D143-F147 PolarHBondContact O-N 2.91Å
144F98.2Very high97.5Very high34 Ų3452.5 Ų52.515%0.14928%0.282CS..Hα-helixtrans-57.1-53.6173.9171.7-96.4000111.8I103 W113 R116 E140 G146 F147 V148I103-F144 HydrophobicContact CB-CZ 3.95Å; I103-F144 HydrophobicContact CD1-CE1 4.07Å; I103-F144 HydrophobicContact CD1-CZ 3.84Å; I103-F144 HydrophobicContact CG2-CE1 4.3Å; I103-F144 HydrophobicContact CG2-CZ 3.69Å; W113-F144 HydrophobicContact CH2-CE1 4.17Å; W113-F144 HydrophobicContact CZ3-CE1 4.1Å; R116-F144 VanDerWaalsContact CZ-CD1 3.45Å; R116-F144 VanDerWaalsContact NE-CD1 3.27Å; E140-F144 WeakPolarHBondContact O-CB 3.46Å; E140-F144 PolarHBondContact O-N 3.07Å; F144-G146 PolarHBondContact O-N 3.45Å; F144-F147 WeakPolarHBondContact O-CB 3.16Å; F144-F147 PolarHBondContact O-N 2.99Å; F144-F147 VanDerWaalsContact O-N 3.15Å; F144-V148 HydrophobicContact CE1-CG2 4.2Å; F144-V148 HydrophobicContact CE2-CG2 4.49Å; F144-V148 HydrophobicContact CZ-CG2 4.12Å; F144-V148 PolarHBondContact O-N 2.03Å; F144-V148 VanDerWaalsContact O-N 3.1Å
145V98.2Very high97.6Very high0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-67.3-30.7179.574.80000111.5W113 E141 L142 V148 I149 A158 R162 I165W113-V145 HydrophobicContact CH2-CG2 4.28Å; W113-V145 HydrophobicContact CZ3-CG2 4.24Å; E141-V145 WeakPolarHBondContact O-CG1 3.28Å; E141-V145 PolarHBondContact O-N 3.15Å; L142-V145 WeakPolarHBondContact O-CG1 3.16Å; V145-V148 PolarHBondContact O-N 2.93Å; V145-I149 HydrophobicContact CG2-CD1 4.19Å; V145-I149 WeakPolarHBondContact O-CB 3.45Å; V145-I149 VanDerWaalsContact O-CG1 3.26Å; V145-I149 WeakPolarHBondContact O-CG1 3.19Å; V145-I149 PolarHBondContact O-N 2.84Å; V145-A158 HydrophobicContact CG2-CB 3.91Å; V145-A158 WeakPolarHBondContact CG2-O 3.35Å; V145-R162 HydrophobicContact CG1-CB 4.03Å; V145-R162 HydrophobicContact CG1-CG 3.91Å; V145-R162 HydrophobicContact CG2-CB 4.03Å; V145-I165 HydrophobicContact CB-CD1 4.33Å; V145-I165 HydrophobicContact CG1-CD1 4Å
146G97.8Very high97.7Very high17 Ų1754.9 Ų54.918%0.17528%0.28CS..Hα-helixtrans-62.1-40.7171.900000112.6L142 D143 F144 I149 S150L142-G146 PolarHBondContact O-N 3.3Å; D143-G146 PolarHBondContact O-N 3.21Å; F144-G146 PolarHBondContact O-N 3.45Å; G146-I149 PolarHBondContact O-N 2.95Å; G146-S150 WeakPolarHBondContact O-CB 3.48Å; G146-S150 PolarHBondContact O-N 3.38Å
147F97.1Very high97.7Very high126 Ų12650.9 Ų50.955%0.55326%0.261SS*.Hα-helixtrans-63.4-47.1174.1178.4-100.7000111.6D143 F144 I149 S150 D151D143-F147 PolarHBondContact O-N 2.91Å; F144-F147 WeakPolarHBondContact O-CB 3.16Å; F144-F147 PolarHBondContact O-N 2.99Å; F144-F147 VanDerWaalsContact O-N 3.15Å; F147-I149 VanDerWaalsContact C-N 3.33Å; F147-I149 PolarHBondContact O-N 2.99Å; F147-S150 WeakPolarHBondContact O-CB 3.42Å; F147-S150 PolarHBondContact O-N 2.96Å; F147-S150 PolarHBondContact O-OG 3.4Å; F147-D151 PolarHBondContact O-N 2.85Å
148V97.9Very high97.7Very high13 Ų1350.6 Ų50.68%0.07926%0.26CS..Hα-helixtrans-61.8-40.9177-179.10000111.8I103 W113 F144 V145 S150 D151 D152 A158I103-V148 HydrophobicContact CG2-CG2 4.01Å; W113-V148 HydrophobicContact CH2-CB 4.29Å; W113-V148 HydrophobicContact CH2-CG1 4.11Å; W113-V148 HydrophobicContact CH2-CG2 4.21Å; W113-V148 HydrophobicContact CZ2-CG1 3.94Å; F144-V148 HydrophobicContact CE1-CG2 4.2Å; F144-V148 HydrophobicContact CE2-CG2 4.49Å; F144-V148 HydrophobicContact CZ-CG2 4.12Å; F144-V148 PolarHBondContact O-N 2.03Å; F144-V148 VanDerWaalsContact O-N 3.1Å; V145-V148 PolarHBondContact O-N 2.93Å; V148-S150 VanDerWaalsContact C-N 3.3Å; V148-S150 PolarHBondContact O-N 3.32Å; V148-D151 PolarHBondContact O-N 3.34Å; V148-D152 PolarHBondContact O-N 3.24Å; V148-A158 HydrophobicContact CB-CB 4.37Å; V148-A158 HydrophobicContact CG1-CB 3.94Å
149I98Very high97.8Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-66.2-32.8174.4-69.9168000111V145 G146 F147 D151 D152 P153 A158 W159 F179 M183V145-I149 HydrophobicContact CG2-CD1 4.19Å; V145-I149 WeakPolarHBondContact O-CB 3.45Å; V145-I149 VanDerWaalsContact O-CG1 3.26Å; V145-I149 WeakPolarHBondContact O-CG1 3.19Å; V145-I149 PolarHBondContact O-N 2.84Å; G146-I149 PolarHBondContact O-N 2.95Å; F147-I149 VanDerWaalsContact C-N 3.33Å; F147-I149 PolarHBondContact O-N 2.99Å; I149-D151 VanDerWaalsContact C-N 3.28Å; I149-D151 PolarHBondContact O-N 3.48Å; I149-D152 CarbonylContact O-C 3.52Å; I149-P153 WeakPolarHBondContact O-CA 3.45Å; I149-P153 WeakPolarHBondContact O-CD 3.45Å; I149-P153 WeakPolarHBondContact O-CG 3.28Å; I149-A158 HydrophobicContact CD1-CB 4.42Å; I149-A158 HydrophobicContact CG1-CB 3.77Å; I149-W159 HydrophobicContact CD1-CD2 3.94Å; I149-W159 HydrophobicContact CD1-CE3 4.13Å; I149-W159 HydrophobicContact CD1-CG 4.41Å; I149-W159 HydrophobicContact CD1-CH2 4.46Å; I149-W159 HydrophobicContact CD1-CZ2 4.27Å; I149-W159 HydrophobicContact CD1-CZ3 4.37Å; I149-W159 HydrophobicContact CG2-CH2 4.46Å; I149-W159 HydrophobicContact CG2-CZ2 3.75Å; I149-F179 HydrophobicContact CD1-CE1 4.42Å; I149-F179 HydrophobicContact CD1-CZ 4.26Å; I149-F179 HydrophobicContact CG2-CZ 4.35Å; I149-M183 HydrophobicContact CG2-SD 4Å
150S95.9Very high97.8Very high78 Ų7854.2 Ų54.255%0.54527%0.27SS..Hα-helixtrans-67.3-30.2177.476.40000113G146 F147 V148G146-S150 WeakPolarHBondContact O-CB 3.48Å; G146-S150 PolarHBondContact O-N 3.38Å; F147-S150 WeakPolarHBondContact O-CB 3.42Å; F147-S150 PolarHBondContact O-N 2.96Å; F147-S150 PolarHBondContact O-OG 3.4Å; V148-S150 VanDerWaalsContact C-N 3.3Å; V148-S150 PolarHBondContact O-N 3.32Å
151D96Very high97.9Very high133 Ų13349.8 Ų49.871%0.71125%0.249SC*.Hα-helixtrans-80.7-49.1176.2-174.866.6000112.4F147 V148 I149F147-D151 PolarHBondContact O-N 2.85Å; V148-D151 PolarHBondContact O-N 3.34Å; I149-D151 VanDerWaalsContact C-N 3.28Å; I149-D151 PolarHBondContact O-N 3.48Å
152D97.5Very high97.9Very high35 Ų3550 Ų5019%0.18725%0.25CC..SBendtrans-121.992.6169.9-177.9-7.5000110.2K108 V148 I149 K154 N155K108-D152 WeakPolarHBondContact CE-OD2 3.43Å; K108-D152 IonicContact NZ-OD2 2.6Å; K108-D152 PolarHBondContact NZ-OD2 2.92Å; V148-D152 PolarHBondContact O-N 3.24Å; I149-D152 CarbonylContact O-C 3.52Å; D152-K154 PolarHBondContact O-N 3.38Å; D152-K154 PolarHBondContact OD1-N 3Å; D152-K154 VanDerWaalsContact OD1-N 3.09Å; D152-N155 HydrophobicContact CB-CB 4.01Å; D152-N155 WeakPolarHBondContact O-CB 3.18Å; D152-N155 PolarHBondContact O-N 3.47Å; D152-N155 PolarHBondContact OD1-N 3.46Å
153P97.4Very high97.8Very high50 Ų5052.1 Ų52.133%0.32526%0.257SS..THydrogen-bonded Turntrans-59.7-10.4-177.5-26.835.2000115.3I149 W159 N190I149-P153 WeakPolarHBondContact O-CA 3.45Å; I149-P153 WeakPolarHBondContact O-CD 3.45Å; I149-P153 WeakPolarHBondContact O-CG 3.28Å; P153-W159 PolarHBondContact O-NE1 3.32Å; P153-N190 WeakPolarHBondContact CB-ND2 3.24Å; P153-N190 PolarHBondContact O-ND2 3.31Å
154K97.2Very high97.8Very high110 Ų11049.2 Ų49.248%0.47824%0.238SC..THydrogen-bonded Turntrans-120.113.4-178.5-59.3-177.1-175.6179.90112.1D152 Y156D152-K154 PolarHBondContact O-N 3.38Å; D152-K154 PolarHBondContact OD1-N 3Å; D152-K154 VanDerWaalsContact OD1-N 3.09Å; K154-Y156 PolarHBondContact O-N 3.26Å
155N98.3Very high97.8Very high2 Ų247.6 Ų47.61%0.01123%0.231CC..  trans-60.4108.7174.7-174.6-42.4000110.7S107 D152 H157 A158 W159S107-N155 WeakPolarHBondContact CB-ND2 3.42Å; S107-N155 PolarHBondContact O-ND2 3.09Å; S107-N155 PolarHBondContact OG-ND2 2.88Å; D152-N155 HydrophobicContact CB-CB 4.01Å; D152-N155 WeakPolarHBondContact O-CB 3.18Å; D152-N155 PolarHBondContact O-N 3.47Å; D152-N155 PolarHBondContact OD1-N 3.46Å; N155-H157 VanDerWaalsContact C-N 3.31Å; N155-H157 PolarHBondContact O-N 3.06Å; N155-H157 WeakPolarHBondContact OD1-CB 3.43Å; N155-H157 PolarHBondContact OD1-N 3.37Å; N155-A158 HydrophobicContact CB-CB 3.95Å; N155-A158 PolarHBondContact O-N 2.93Å; N155-A158 PolarHBondContact OD1-N 3.38Å; N155-W159 VanDerWaalsContact O-CD1 3.23Å; N155-W159 PolarHBondContact O-N 3.23Å; N155-W159 VanDerWaalsContact O-N 3.11Å
156Y98.4Very high97.7Very high174 Ų17447.9 Ų47.968%0.68223%0.233SC*.Hα-helixtrans-62.5-38.4-174.5-161-86.7000112.6K154 W159 Q160K154-Y156 PolarHBondContact O-N 3.26Å; Y156-W159 PolarHBondContact O-N 3.49Å; Y156-Q160 VanDerWaalsContact O-CB 3.32Å; Y156-Q160 WeakPolarHBondContact O-CB 3.24Å; Y156-Q160 PolarHBondContact O-N 3.19Å
157H98.5Very high97.6Very high21 Ų2151 Ų5110%0.09725%0.248CC..Hα-helixtrans-68.2-41.4179.6-56.6-82.5000111.6K108 Y110 W113 N155 Q160 H161K108-H157 PolarHBondContact O-NE2 2.96Å; Y110-H157 AromaticContact CD1-CE1 3.65Å; Y110-H157 AromaticContact CD2-CE1 3.75Å; Y110-H157 AromaticContact CE1-CE1 3.63Å; Y110-H157 AromaticContact CE2-CE1 3.72Å; Y110-H157 AromaticContact CG-CE1 3.71Å; Y110-H157 AromaticContact CZ-CE1 3.66Å; W113-H157 HydrophobicContact CB-CB 4.48Å; W113-H157 AromaticContact CD1-CG 3.64Å; W113-H157 HydrophobicContact CD2-CB 3.91Å; W113-H157 HydrophobicContact CG-CB 3.65Å; W113-H157 HydrophobicContact CZ2-CB 4.42Å; W113-H157 AromaticContact NE1-CG 3.87Å; N155-H157 VanDerWaalsContact C-N 3.31Å; N155-H157 PolarHBondContact O-N 3.06Å; N155-H157 WeakPolarHBondContact OD1-CB 3.43Å; N155-H157 PolarHBondContact OD1-N 3.37Å; H157-Q160 PolarHBondContact O-N 3.09Å; H157-H161 VanDerWaalsContact O-CB 3.23Å; H157-H161 WeakPolarHBondContact O-CB 3.39Å; H157-H161 PolarHBondContact O-N 2.91Å
158A98.6Very high97.5Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-62.5-45.1176.800000111.2W113 V145 V148 I149 N155 H161 R162W113-A158 HydrophobicContact CH2-CB 3.7Å; W113-A158 HydrophobicContact CZ2-CB 3.86Å; V145-A158 HydrophobicContact CG2-CB 3.91Å; V145-A158 WeakPolarHBondContact CG2-O 3.35Å; V148-A158 HydrophobicContact CB-CB 4.37Å; V148-A158 HydrophobicContact CG1-CB 3.94Å; I149-A158 HydrophobicContact CD1-CB 4.42Å; I149-A158 HydrophobicContact CG1-CB 3.77Å; N155-A158 HydrophobicContact CB-CB 3.95Å; N155-A158 PolarHBondContact O-N 2.93Å; N155-A158 PolarHBondContact OD1-N 3.38Å; A158-H161 PolarHBondContact O-N 3.29Å; A158-R162 WeakPolarHBondContact O-CB 3.29Å; A158-R162 PolarHBondContact O-N 3.14Å
159W98.6Very high97.5Very high19 Ų1949.4 Ų49.47%0.07224%0.24CC..Hα-helixtrans-64.1-41.2175.3-77.5107.4000113I149 P153 N155 Y156 R162 R163 F179 M183 S192 A193 H196I149-W159 HydrophobicContact CD1-CD2 3.94Å; I149-W159 HydrophobicContact CD1-CE3 4.13Å; I149-W159 HydrophobicContact CD1-CG 4.41Å; I149-W159 HydrophobicContact CD1-CH2 4.46Å; I149-W159 HydrophobicContact CD1-CZ2 4.27Å; I149-W159 HydrophobicContact CD1-CZ3 4.37Å; I149-W159 HydrophobicContact CG2-CH2 4.46Å; I149-W159 HydrophobicContact CG2-CZ2 3.75Å; P153-W159 PolarHBondContact O-NE1 3.32Å; N155-W159 VanDerWaalsContact O-CD1 3.23Å; N155-W159 PolarHBondContact O-N 3.23Å; N155-W159 VanDerWaalsContact O-N 3.11Å; Y156-W159 PolarHBondContact O-N 3.49Å; W159-R162 PolarHBondContact O-N 3.38Å; W159-R163 PolarHBondContact O-N 3.06Å; W159-F179 HydrophobicContact CH2-CD1 4.42Å; W159-F179 AromaticContact CH2-CE1 3.67Å; W159-F179 HydrophobicContact CH2-CE1 3.67Å; W159-F179 HydrophobicContact CZ3-CD1 4.45Å; W159-F179 AromaticContact CZ3-CE1 3.84Å; W159-F179 HydrophobicContact CZ3-CE1 3.84Å; W159-M183 HydrophobicContact CH2-CG 4.19Å; W159-S192 VanDerWaalsContact NE1-CB 3.29Å; W159-A193 HydrophobicContact CH2-CB 4.14Å; W159-A193 HydrophobicContact CZ2-CB 4.25Å; W159-H196 HydrophobicContact CE3-CB 3.78Å; W159-H196 AromaticContact CE3-CG 3.77Å; W159-H196 AromaticContact CE3-ND1 3.92Å; W159-H196 HydrophobicContact CH2-CB 4.36Å; W159-H196 HydrophobicContact CZ3-CB 3.5Å; W159-H196 AromaticContact CZ3-CD2 3.67Å; W159-H196 AromaticContact CZ3-CG 3.49Å; W159-H196 VanDerWaalsContact CZ3-CG 3.49Å
160Q98.4Very high97.4Very high113 Ų11358 Ų5853%0.52828%0.278SS..Hα-helixtrans-62.8-44.7175.8-178.6178.2-4.200111.5Y156 H157 R163 W164Y156-Q160 VanDerWaalsContact O-CB 3.32Å; Y156-Q160 WeakPolarHBondContact O-CB 3.24Å; Y156-Q160 PolarHBondContact O-N 3.19Å; H157-Q160 PolarHBondContact O-N 3.09Å; Q160-R163 WeakPolarHBondContact O-CB 3.15Å; Q160-R163 PolarHBondContact O-N 2.78Å; Q160-W164 PolarHBondContact O-N 2.74Å
161H98.5Very high97.4Very high7 Ų755 Ų553%0.03226%0.256CS..Hα-helixtrans-65-42.5177.6-166.968.3000111.3W113 E141 H157 A158 R163 W164 I165W113-H161 HydrophobicContact CD2-CB 4.47Å; W113-H161 HydrophobicContact CE3-CB 3.52Å; W113-H161 AromaticContact CE3-CD2 3.72Å; W113-H161 AromaticContact CE3-CG 3.51Å; W113-H161 HydrophobicContact CZ3-CB 3.74Å; W113-H161 AromaticContact CZ3-CD2 3.59Å; W113-H161 AromaticContact CZ3-CG 3.78Å; E141-H161 IonicContact OE1-CD2 2.74Å; E141-H161 PolarHBondContact OE1-CD2 2.98Å; E141-H161 VanDerWaalsContact OE1-CD2 3.32Å; E141-H161 IonicContact OE1-CE1 3.34Å; E141-H161 IonicContact OE1-NE2 2.69Å; E141-H161 PolarHBondContact OE1-NE2 3.11Å; H157-H161 VanDerWaalsContact O-CB 3.23Å; H157-H161 WeakPolarHBondContact O-CB 3.39Å; H157-H161 PolarHBondContact O-N 2.91Å; A158-H161 PolarHBondContact O-N 3.29Å; H161-R163 VanDerWaalsContact C-N 3.34Å; H161-R163 PolarHBondContact O-N 2.94Å; H161-W164 AromaticContact CE1-CE3 3.52Å; H161-W164 AromaticContact CE1-CZ3 3.49Å; H161-W164 VanDerWaalsContact CE1-CZ3 3.49Å; H161-W164 WeakPolarHBondContact CE1-CZ3 3.25Å; H161-W164 AromaticContact ND1-CE3 3.71Å; H161-W164 AromaticContact NE2-CZ3 3.99Å; H161-W164 WeakPolarHBondContact O-CA 3.43Å; H161-W164 WeakPolarHBondContact O-CB 3.16Å; H161-W164 PolarHBondContact O-N 3.48Å; H161-W164 VanDerWaalsContact O-N 3.11Å; H161-I165 VanDerWaalsContact CD2-CD1 3.41Å; H161-I165 WeakPolarHBondContact CD2-CD1 3.23Å; H161-I165 WeakPolarHBondContact O-CD1 3.46Å; H161-I165 VanDerWaalsContact O-CG1 3.26Å; H161-I165 WeakPolarHBondContact O-CG1 3.4Å; H161-I165 PolarHBondContact O-N 3.2Å
162R98.4Very high97.4Very high8 Ų852.4 Ų52.43%0.0325%0.247CC..Hα-helixtrans-56.6-45.6172.8-164.7-178.2-177872.8112L142 V145 A158 W159 W164 I165 I166 E176L142-R162 HydrophobicContact CD2-CG 4.27Å; L142-R162 PolarHBondContact O-NH1 3.17Å; L142-R162 VanDerWaalsContact O-NH1 3.11Å; V145-R162 HydrophobicContact CG1-CB 4.03Å; V145-R162 HydrophobicContact CG1-CG 3.91Å; V145-R162 HydrophobicContact CG2-CB 4.03Å; A158-R162 WeakPolarHBondContact O-CB 3.29Å; A158-R162 PolarHBondContact O-N 3.14Å; W159-R162 PolarHBondContact O-N 3.38Å; R162-W164 VanDerWaalsContact C-N 3.3Å; R162-W164 PolarHBondContact O-N 3.03Å; R162-I165 PolarHBondContact O-N 3.25Å; R162-I166 HydrophobicContact CG-CD1 4.09Å; R162-I166 VanDerWaalsContact O-CD1 3.25Å; R162-I166 WeakPolarHBondContact O-CD1 3.4Å; R162-I166 VanDerWaalsContact O-CG1 3.24Å; R162-I166 WeakPolarHBondContact O-CG1 3.34Å; R162-I166 PolarHBondContact O-N 3.43Å; R162-E176 IonicContact CZ-OE1 3.93Å; R162-E176 IonicContact CZ-OE2 3.63Å; R162-E176 IonicContact NE-OE1 3.52Å; R162-E176 IonicContact NE-OE2 3.82Å; R162-E176 PolarHBondContact NE-OE2 3.1Å; R162-E176 IonicContact NH2-OE1 3.68Å; R162-E176 PolarHBondContact NH2-OE1 2.73Å; R162-E176 IonicContact NH2-OE2 2.84Å; R162-E176 PolarHBondContact NH2-OE2 3.36Å
163R97Very high97.4Very high48 Ų4852 Ų5218%0.18125%0.245CC..Hα-helixtrans-60.6-38.5176-177.461.4-111.5-163.6-7.1112.4W159 Q160 H161 T167 D204W159-R163 PolarHBondContact O-N 3.06Å; Q160-R163 WeakPolarHBondContact O-CB 3.15Å; Q160-R163 PolarHBondContact O-N 2.78Å; H161-R163 VanDerWaalsContact C-N 3.34Å; H161-R163 PolarHBondContact O-N 2.94Å; R163-T167 PolarHBondContact NE-OG1 2.85Å; R163-T167 PolarHBondContact NH2-OG1 2.69Å; R163-T167 PolarHBondContact O-N 2.69Å; R163-T167 PolarHBondContact O-OG1 3.47Å; R163-D204 IonicContact CZ-OD1 3.01Å; R163-D204 IonicContact CZ-OD2 2.67Å; R163-D204 VanDerWaalsContact CZ-OD2 3.27Å; R163-D204 IonicContact NH1-OD1 3.23Å; R163-D204 PolarHBondContact NH1-OD1 3.27Å; R163-D204 IonicContact NH1-OD2 3.02Å; R163-D204 PolarHBondContact NH1-OD2 3.45Å; R163-D204 VanDerWaalsContact NH2-CG 3.33Å; R163-D204 IonicContact NH2-OD1 2.67Å; R163-D204 PolarHBondContact NH2-OD1 2.94Å; R163-D204 IonicContact NH2-OD2 3.8Å; R163-D204 PolarHBondContact NH2-OD2 3.34Å; R163-D204 VanDerWaalsContact NH2-OD2 3.14Å
164W98Very high97.3Very high45 Ų4555.9 Ų55.917%0.1726%0.259CS..Hα-helixtrans-65.2-50.4173.3168.680.5000111.5Q117 I120 E121 Q160 H161 R162 I166 T167 F168Q117-W164 HydrophobicContact CB-CH2 4.38Å; Q117-W164 HydrophobicContact CB-CZ3 4.34Å; Q117-W164 HydrophobicContact CG-CD2 3.6Å; Q117-W164 HydrophobicContact CG-CE3 3.73Å; Q117-W164 HydrophobicContact CG-CG 4.38Å; Q117-W164 HydrophobicContact CG-CH2 3.52Å; Q117-W164 HydrophobicContact CG-CZ2 3.35Å; Q117-W164 HydrophobicContact CG-CZ3 3.71Å; I120-W164 HydrophobicContact CB-CH2 3.87Å; I120-W164 HydrophobicContact CB-CZ3 4.37Å; I120-W164 HydrophobicContact CG2-CH2 3.63Å; I120-W164 HydrophobicContact CG2-CZ3 4.17Å; E121-W164 HydrophobicContact CG-CH2 4.29Å; E121-W164 HydrophobicContact CG-CZ2 3.67Å; Q160-W164 PolarHBondContact O-N 2.74Å; H161-W164 AromaticContact CE1-CE3 3.52Å; H161-W164 AromaticContact CE1-CZ3 3.49Å; H161-W164 VanDerWaalsContact CE1-CZ3 3.49Å; H161-W164 WeakPolarHBondContact CE1-CZ3 3.25Å; H161-W164 AromaticContact ND1-CE3 3.71Å; H161-W164 AromaticContact NE2-CZ3 3.99Å; H161-W164 WeakPolarHBondContact O-CA 3.43Å; H161-W164 WeakPolarHBondContact O-CB 3.16Å; H161-W164 PolarHBondContact O-N 3.48Å; H161-W164 VanDerWaalsContact O-N 3.11Å; R162-W164 VanDerWaalsContact C-N 3.3Å; R162-W164 PolarHBondContact O-N 3.03Å; W164-I166 VanDerWaalsContact C-N 3.31Å; W164-I166 PolarHBondContact O-N 3.14Å; W164-T167 PolarHBondContact O-N 2.66Å; W164-F168 HydrophobicContact CD2-CB 4.46Å; W164-F168 HydrophobicContact CH2-CD1 4.26Å; W164-F168 HydrophobicContact CH2-CG 4.42Å; W164-F168 HydrophobicContact CZ2-CB 4.09Å; W164-F168 AromaticContact CZ2-CD1 3.98Å; W164-F168 HydrophobicContact CZ2-CD1 3.98Å; W164-F168 AromaticContact CZ2-CD2 3.94Å; W164-F168 HydrophobicContact CZ2-CD2 3.94Å; W164-F168 HydrophobicContact CZ2-CE1 4.39Å; W164-F168 HydrophobicContact CZ2-CE2 4.36Å; W164-F168 AromaticContact CZ2-CG 3.74Å; W164-F168 HydrophobicContact CZ2-CG 3.74Å; W164-F168 WeakPolarHBondContact O-CB 3.41Å; W164-F168 PolarHBondContact O-N 2.98Å
165I97.9Very high97.3Very high0 Ų055 Ų550%026%0.255CS..Hα-helixtrans-51.9-49178.5-66.4155.4000111E141 L142 V145 H161 R162 T167 F168 F169E141-I165 HydrophobicContact CB-CD1 4.49Å; E141-I165 HydrophobicContact CG-CD1 3.47Å; E141-I165 VanDerWaalsContact CG-CD1 3.47Å; E141-I165 HydrophobicContact CG-CG1 3.74Å; E141-I165 HydrophobicContact CG-CG2 4.49Å; L142-I165 HydrophobicContact CD2-CB 4.43Å; L142-I165 HydrophobicContact CD2-CG2 3.68Å; L142-I165 HydrophobicContact CG-CG2 3.86Å; V145-I165 HydrophobicContact CB-CD1 4.33Å; V145-I165 HydrophobicContact CG1-CD1 4Å; H161-I165 VanDerWaalsContact CD2-CD1 3.41Å; H161-I165 WeakPolarHBondContact CD2-CD1 3.23Å; H161-I165 WeakPolarHBondContact O-CD1 3.46Å; H161-I165 VanDerWaalsContact O-CG1 3.26Å; H161-I165 WeakPolarHBondContact O-CG1 3.4Å; H161-I165 PolarHBondContact O-N 3.2Å; R162-I165 PolarHBondContact O-N 3.25Å; I165-T167 VanDerWaalsContact C-N 3.27Å; I165-T167 PolarHBondContact O-N 2.97Å; I165-F168 PolarHBondContact O-N 3.28Å; I165-F169 HydrophobicContact CG2-CD2 3.76Å; I165-F169 HydrophobicContact CG2-CE2 4.24Å; I165-F169 WeakPolarHBondContact O-CD2 3.4Å; I165-F169 PolarHBondContact O-N 3.11Å
166I96.4Very high97.3Very high6 Ų654.9 Ų54.93%0.03126%0.255CS..Hα-helixtrans-58.5-42.1-179.8-66.9156.4000111.4L142 R162 W164 K170 V171 E176 H196 I200L142-I166 HydrophobicContact CD2-CG1 4.45Å; R162-I166 HydrophobicContact CG-CD1 4.09Å; R162-I166 VanDerWaalsContact O-CD1 3.25Å; R162-I166 WeakPolarHBondContact O-CD1 3.4Å; R162-I166 VanDerWaalsContact O-CG1 3.24Å; R162-I166 WeakPolarHBondContact O-CG1 3.34Å; R162-I166 PolarHBondContact O-N 3.43Å; W164-I166 VanDerWaalsContact C-N 3.31Å; W164-I166 PolarHBondContact O-N 3.14Å; I166-K170 CarbonylContact O-C 3.59Å; I166-K170 WeakPolarHBondContact O-CA 3.35Å; I166-K170 PolarHBondContact O-N 3.09Å; I166-V171 HydrophobicContact CB-CB 4.36Å; I166-V171 HydrophobicContact CG1-CB 4.3Å; I166-V171 HydrophobicContact CG1-CG2 4.45Å; I166-V171 HydrophobicContact CG2-CB 4.21Å; I166-V171 PolarHBondContact O-N 3.46Å; I166-E176 VanDerWaalsContact CD1-CD 3.43Å; I166-E176 HydrophobicContact CD1-CG 3.6Å; I166-E176 WeakPolarHBondContact CD1-OE2 3.49Å; I166-E176 HydrophobicContact CG1-CG 3.72Å; I166-E176 HydrophobicContact CG2-CG 4.36Å; I166-H196 WeakPolarHBondContact CD1-CE1 3.33Å; I166-H196 WeakPolarHBondContact CD1-NE2 3.32Å; I166-I200 HydrophobicContact CD1-CD1 4.21Å; I166-I200 HydrophobicContact CG2-CD1 4.38Å
167T94.9Very high97.3Very high82 Ų8247.5 Ų47.550%0.50323%0.227SC..Hα-helixtrans-73.4-43.5-178.8-51.40000111R163 W164 I165R163-T167 PolarHBondContact NE-OG1 2.85Å; R163-T167 PolarHBondContact NH2-OG1 2.69Å; R163-T167 PolarHBondContact O-N 2.69Å; R163-T167 PolarHBondContact O-OG1 3.47Å; W164-T167 PolarHBondContact O-N 2.66Å; I165-T167 VanDerWaalsContact C-N 3.27Å; I165-T167 PolarHBondContact O-N 2.97Å
168F96.8Very high97.3Very high76 Ų7649.1 Ų49.133%0.33324%0.244SC..Hα-helixtrans-66.6-48.2-177-175.4-103.1000111.8E121 W164 I165E121-F168 HydrophobicContact CG-CE2 4.07Å; E121-F168 HydrophobicContact CG-CZ 4.09Å; W164-F168 HydrophobicContact CD2-CB 4.46Å; W164-F168 HydrophobicContact CH2-CD1 4.26Å; W164-F168 HydrophobicContact CH2-CG 4.42Å; W164-F168 HydrophobicContact CZ2-CB 4.09Å; W164-F168 AromaticContact CZ2-CD1 3.98Å; W164-F168 HydrophobicContact CZ2-CD1 3.98Å; W164-F168 AromaticContact CZ2-CD2 3.94Å; W164-F168 HydrophobicContact CZ2-CD2 3.94Å; W164-F168 HydrophobicContact CZ2-CE1 4.39Å; W164-F168 HydrophobicContact CZ2-CE2 4.36Å; W164-F168 AromaticContact CZ2-CG 3.74Å; W164-F168 HydrophobicContact CZ2-CG 3.74Å; W164-F168 WeakPolarHBondContact O-CB 3.41Å; W164-F168 PolarHBondContact O-N 2.98Å; I165-F168 PolarHBondContact O-N 3.28Å
169F96.9Very high97.2Very high30 Ų3050.3 Ų50.313%0.13225%0.25CC..Hα-helixtrans-90.1-1.7179.8-65.9-70.8000114.2I120 I134 L137 S138 I165 V171I120-F169 HydrophobicContact CG2-CE2 3.87Å; I120-F169 HydrophobicContact CG2-CZ 3.61Å; I134-F169 HydrophobicContact CG2-CD1 3.87Å; I134-F169 HydrophobicContact CG2-CE1 4.04Å; L137-F169 HydrophobicContact CD2-CE1 4.15Å; L137-F169 HydrophobicContact CD2-CZ 3.88Å; L137-F169 HydrophobicContact CG-CE1 4.5Å; L137-F169 HydrophobicContact CG-CZ 4.04Å; S138-F169 WeakPolarHBondContact OG-CB 3.25Å; I165-F169 HydrophobicContact CG2-CD2 3.76Å; I165-F169 HydrophobicContact CG2-CE2 4.24Å; I165-F169 WeakPolarHBondContact O-CD2 3.4Å; I165-F169 PolarHBondContact O-N 3.11Å; F169-V171 VanDerWaalsContact C-N 3.35Å; F169-V171 HydrophobicContact CB-CG2 4.19Å; F169-V171 PolarHBondContact O-N 3.32Å
170K95.2Very high97.2Very high180 Ų18049.4 Ų49.478%0.78325%0.246SC*.THydrogen-bonded Turntrans54.648.9-177.2-55.2176.2-177.9174.20112.2I166I166-K170 CarbonylContact O-C 3.59Å; I166-K170 WeakPolarHBondContact O-CA 3.35Å; I166-K170 PolarHBondContact O-N 3.09Å
171V96.4Very high97.2Very high15 Ų1547.7 Ų47.79%0.09124%0.238CC..  trans-60.1134.2-178.6178.30000109.6L142 I166 F169 K175 E176L142-V171 HydrophobicContact CD1-CG1 4.03Å; L142-V171 HydrophobicContact CD1-CG2 3.94Å; I166-V171 HydrophobicContact CB-CB 4.36Å; I166-V171 HydrophobicContact CG1-CB 4.3Å; I166-V171 HydrophobicContact CG1-CG2 4.45Å; I166-V171 HydrophobicContact CG2-CB 4.21Å; I166-V171 PolarHBondContact O-N 3.46Å; F169-V171 VanDerWaalsContact C-N 3.35Å; F169-V171 HydrophobicContact CB-CG2 4.19Å; F169-V171 PolarHBondContact O-N 3.32Å; V171-K175 HydrophobicContact CG1-CB 4.35Å; V171-K175 HydrophobicContact CG1-CD 4.08Å; V171-E176 HydrophobicContact CG1-CG 4.13Å
172P96.5Very high97.1Very high80 Ų8052.6 Ų52.652%0.51926%0.261SS..  trans-57.6138.8179.3-26.434.9000113E174 K175P172-E174 PolarHBondContact O-N 2.92Å; P172-K175 PolarHBondContact O-N 2.94Å
173V96.3Very high97.1Very high25 Ų2553.2 Ų53.215%0.15227%0.265CS..Hα-helixtrans-54.8-41.8-177.8167.40000111.3K175 E176 L177 I200 D204 E205V173-K175 VanDerWaalsContact C-N 3.29Å; V173-K175 PolarHBondContact O-N 3.21Å; V173-E176 PolarHBondContact O-N 3.39Å; V173-E176 VanDerWaalsContact O-N 3.15Å; V173-L177 HydrophobicContact CG1-CD1 3.77Å; V173-L177 HydrophobicContact CG1-CG 4.03Å; V173-L177 WeakPolarHBondContact O-CG 3.43Å; V173-L177 PolarHBondContact O-N 3.38Å; V173-I200 HydrophobicContact CG1-CG2 3.82Å; V173-D204 HydrophobicContact CG2-CB 3.91Å; V173-E205 HydrophobicContact CG1-CB 3.77Å; V173-E205 HydrophobicContact CG1-CG 4.01Å; V173-E205 HydrophobicContact CG2-CB 4.29Å
174E97.1Very high97.1Very high132 Ų13251.1 Ų51.162%0.61726%0.257SS*.Hα-helixtrans-62.7-36.8-174.9-58.974.8-164.200111.8P172 E176 A178P172-E174 PolarHBondContact O-N 2.92Å; E174-E176 VanDerWaalsContact C-N 3.35Å; E174-A178 WeakPolarHBondContact O-CB 3.39Å; E174-A178 PolarHBondContact O-N 3.38Å
175K97.3Very high97.1Very high92 Ų9254.1 Ų54.140%0.428%0.276SS..Hα-helixtrans-64.8-42177.9-173.2177179.4-178.30110.7L142 V171 P172 V173 F179L142-K175 HydrophobicContact CD1-CD 4.42Å; V171-K175 HydrophobicContact CG1-CB 4.35Å; V171-K175 HydrophobicContact CG1-CD 4.08Å; P172-K175 PolarHBondContact O-N 2.94Å; V173-K175 VanDerWaalsContact C-N 3.29Å; V173-K175 PolarHBondContact O-N 3.21Å; K175-F179 PolarHBondContact O-N 3.47Å
176E97.6Very high97Very high0 Ų059.9 Ų59.90%031%0.306CS..Hα-helixtrans-77.9-33.2-180-70-59.5118.800112.9R162 I166 V171 V173 E174 A178 F179 T180 H196 I200R162-E176 IonicContact CZ-OE1 3.93Å; R162-E176 IonicContact CZ-OE2 3.63Å; R162-E176 IonicContact NE-OE1 3.52Å; R162-E176 IonicContact NE-OE2 3.82Å; R162-E176 PolarHBondContact NE-OE2 3.1Å; R162-E176 IonicContact NH2-OE1 3.68Å; R162-E176 PolarHBondContact NH2-OE1 2.73Å; R162-E176 IonicContact NH2-OE2 2.84Å; R162-E176 PolarHBondContact NH2-OE2 3.36Å; I166-E176 VanDerWaalsContact CD1-CD 3.43Å; I166-E176 HydrophobicContact CD1-CG 3.6Å; I166-E176 WeakPolarHBondContact CD1-OE2 3.49Å; I166-E176 HydrophobicContact CG1-CG 3.72Å; I166-E176 HydrophobicContact CG2-CG 4.36Å; V171-E176 HydrophobicContact CG1-CG 4.13Å; V173-E176 PolarHBondContact O-N 3.39Å; V173-E176 VanDerWaalsContact O-N 3.15Å; E174-E176 VanDerWaalsContact C-N 3.35Å; E176-A178 VanDerWaalsContact C-N 3.32Å; E176-A178 PolarHBondContact O-N 3.45Å; E176-F179 PolarHBondContact O-N 2.83Å; E176-T180 WeakPolarHBondContact O-CG2 3.32Å; E176-T180 PolarHBondContact O-N 3.42Å; E176-T180 PolarHBondContact O-OG1 3.45Å; E176-H196 IonicContact OE2-CD2 2.75Å; E176-H196 IonicContact OE2-CE1 3.28Å; E176-H196 IonicContact OE2-NE2 2.66Å; E176-H196 PolarHBondContact OE2-NE2 2.94Å; E176-I200 HydrophobicContact CB-CD1 3.73Å; E176-I200 HydrophobicContact CB-CG1 3.91Å; E176-I200 HydrophobicContact CB-CG2 4.38Å; E176-I200 HydrophobicContact CG-CD1 4.21Å
177L98Very high97.1Very high18 Ų1862.1 Ų62.19%0.09432%0.318CS..Hα-helixtrans-60.1-44.5169.5-72178.7000111V173 F179 T180 E181 R197 I200 V201V173-L177 HydrophobicContact CG1-CD1 3.77Å; V173-L177 HydrophobicContact CG1-CG 4.03Å; V173-L177 WeakPolarHBondContact O-CG 3.43Å; V173-L177 PolarHBondContact O-N 3.38Å; L177-F179 PolarHBondContact O-N 2.88Å; L177-T180 PolarHBondContact O-N 3.2Å; L177-T180 PolarHBondContact O-OG1 3.21Å; L177-E181 PolarHBondContact O-N 3.03Å; L177-R197 HydrophobicContact CD2-CG 4.4Å; L177-I200 HydrophobicContact CD2-CB 4.28Å; L177-I200 HydrophobicContact CD2-CG2 3.69Å; L177-I200 HydrophobicContact CG-CG2 3.83Å; L177-V201 HydrophobicContact CD2-CG2 3.87Å
178A98Very high97.2Very high56 Ų5658.6 Ų58.646%0.46330%0.297SS..Hα-helixtrans-61.9-42.2175.600000112.2E174 E176 E181 Q182E174-A178 WeakPolarHBondContact O-CB 3.39Å; E174-A178 PolarHBondContact O-N 3.38Å; E176-A178 VanDerWaalsContact C-N 3.32Å; E176-A178 PolarHBondContact O-N 3.45Å; A178-E181 PolarHBondContact O-N 3.02Å; A178-Q182 PolarHBondContact O-N 3.19Å
179F97.9Very high97.3Very high25 Ų2560.8 Ų60.811%0.1130%0.304CS..Hα-helixtrans-61.2-47.3175-178.9-100.7000112I149 W159 K175 E176 L177 E181 Q182 M183I149-F179 HydrophobicContact CD1-CE1 4.42Å; I149-F179 HydrophobicContact CD1-CZ 4.26Å; I149-F179 HydrophobicContact CG2-CZ 4.35Å; W159-F179 HydrophobicContact CH2-CD1 4.42Å; W159-F179 AromaticContact CH2-CE1 3.67Å; W159-F179 HydrophobicContact CH2-CE1 3.67Å; W159-F179 HydrophobicContact CZ3-CD1 4.45Å; W159-F179 AromaticContact CZ3-CE1 3.84Å; W159-F179 HydrophobicContact CZ3-CE1 3.84Å; K175-F179 PolarHBondContact O-N 3.47Å; E176-F179 PolarHBondContact O-N 2.83Å; L177-F179 PolarHBondContact O-N 2.88Å; F179-E181 VanDerWaalsContact C-N 3.29Å; F179-E181 PolarHBondContact O-N 3.09Å; F179-Q182 PolarHBondContact O-N 2.88Å; F179-M183 HydrophobicContact CD1-CG 4.2Å; F179-M183 HydrophobicContact CE1-CG 3.8Å; F179-M183 HydrophobicContact CE1-SD 4.49Å; F179-M183 HydrophobicContact CE2-CE 4.07Å; F179-M183 HydrophobicContact CE2-CG 4.32Å; F179-M183 HydrophobicContact CE2-SD 4.34Å; F179-M183 HydrophobicContact CZ-CE 4.32Å; F179-M183 HydrophobicContact CZ-CG 3.86Å; F179-M183 HydrophobicContact CZ-SD 3.99Å; F179-M183 WeakPolarHBondContact O-CG 3.34Å; F179-M183 PolarHBondContact O-N 2.87Å
180T98Very high97.3Very high0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-61.3-39.3176.961.60000112E176 L177 M183 L184 H196 R197E176-T180 WeakPolarHBondContact O-CG2 3.32Å; E176-T180 PolarHBondContact O-N 3.42Å; E176-T180 PolarHBondContact O-OG1 3.45Å; L177-T180 PolarHBondContact O-N 3.2Å; L177-T180 PolarHBondContact O-OG1 3.21Å; T180-M183 PolarHBondContact O-N 3.36Å; T180-L184 WeakPolarHBondContact O-CB 3.45Å; T180-L184 VanDerWaalsContact O-CG 3.23Å; T180-L184 WeakPolarHBondContact O-CG 3.22Å; T180-L184 PolarHBondContact O-N 2.8Å; T180-H196 HydrophobicContact CG2-CB 4.24Å; T180-R197 HydrophobicContact CG2-CB 3.9Å; T180-R197 PolarHBondContact OG1-NH1 3.33Å; T180-R197 VanDerWaalsContact OG1-NH1 3.1Å
181E97.9Very high97.5Very high77 Ų7755 Ų5536%0.3628%0.283SS..Hα-helixtrans-63.9-44.4177178.8161.8-158.100111.4L177 A178 F179 M183 L184 L185 F218 R222L177-E181 PolarHBondContact O-N 3.03Å; A178-E181 PolarHBondContact O-N 3.02Å; F179-E181 VanDerWaalsContact C-N 3.29Å; F179-E181 PolarHBondContact O-N 3.09Å; E181-M183 PolarHBondContact O-N 2.79Å; E181-L184 PolarHBondContact O-N 3.31Å; E181-L185 HydrophobicContact CG-CD1 4.11Å; E181-L185 HydrophobicContact CG-CG 4.38Å; E181-L185 WeakPolarHBondContact O-CB 3.43Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.45Å; E181-L185 PolarHBondContact O-N 3.03Å; E181-F218 HydrophobicContact CB-CE2 4.48Å; E181-F218 HydrophobicContact CG-CE2 4.19Å; E181-R222 IonicContact OE1-NH2 3.57Å; E181-R222 PolarHBondContact OE1-NH2 2.78Å
182Q97.4Very high97.6Very high109 Ų10955.5 Ų55.551%0.50929%0.287SS..Hα-helixtrans-59.8-44.8175.2-172.9-178.15.300111.8A178 F179 L184 L185 N186A178-Q182 PolarHBondContact O-N 3.19Å; F179-Q182 PolarHBondContact O-N 2.88Å; Q182-L184 VanDerWaalsContact C-N 3.33Å; Q182-L184 PolarHBondContact O-N 3.29Å; Q182-L185 PolarHBondContact O-N 2.82Å; Q182-N186 PolarHBondContact O-N 3.05Å; Q182-N186 VanDerWaalsContact O-N 3.08Å
183M97.7Very high97.7Very high22 Ų2251.7 Ų51.711%0.10826%0.262CS..Hα-helixtrans-62.6-40.8177.7-67.1-59.8101.100112I149 W159 F179 T180 E181 N186 D187 A193I149-M183 HydrophobicContact CG2-SD 4Å; W159-M183 HydrophobicContact CH2-CG 4.19Å; F179-M183 HydrophobicContact CD1-CG 4.2Å; F179-M183 HydrophobicContact CE1-CG 3.8Å; F179-M183 HydrophobicContact CE1-SD 4.49Å; F179-M183 HydrophobicContact CE2-CE 4.07Å; F179-M183 HydrophobicContact CE2-CG 4.32Å; F179-M183 HydrophobicContact CE2-SD 4.34Å; F179-M183 HydrophobicContact CZ-CE 4.32Å; F179-M183 HydrophobicContact CZ-CG 3.86Å; F179-M183 HydrophobicContact CZ-SD 3.99Å; F179-M183 WeakPolarHBondContact O-CG 3.34Å; F179-M183 PolarHBondContact O-N 2.87Å; T180-M183 PolarHBondContact O-N 3.36Å; E181-M183 PolarHBondContact O-N 2.79Å; M183-N186 PolarHBondContact O-N 3.25Å; M183-D187 PolarHBondContact O-N 3.25Å; M183-A193 HydrophobicContact CB-CB 3.87Å
184L98.1Very high97.8Very high3 Ų350.7 Ų50.72%0.01626%0.256CS..Hα-helixtrans-74.3-24.2178.3-69.3174.9000113.5T180 E181 Q182 D187 V188 A193 W194 F218T180-L184 WeakPolarHBondContact O-CB 3.45Å; T180-L184 VanDerWaalsContact O-CG 3.23Å; T180-L184 WeakPolarHBondContact O-CG 3.22Å; T180-L184 PolarHBondContact O-N 2.8Å; E181-L184 PolarHBondContact O-N 3.31Å; Q182-L184 VanDerWaalsContact C-N 3.33Å; Q182-L184 PolarHBondContact O-N 3.29Å; L184-D187 CarbonylContact O-C 3.4Å; L184-V188 WeakPolarHBondContact O-CA 3.35Å; L184-V188 PolarHBondContact O-N 3.39Å; L184-A193 HydrophobicContact CD2-CB 3.76Å; L184-A193 HydrophobicContact CG-CB 4Å; L184-W194 HydrophobicContact CD1-CD2 4.01Å; L184-W194 HydrophobicContact CD1-CE3 4.02Å; L184-W194 HydrophobicContact CD1-CH2 4.19Å; L184-W194 HydrophobicContact CD1-CZ2 4.14Å; L184-W194 HydrophobicContact CD1-CZ3 4.12Å; L184-W194 HydrophobicContact CD2-CD2 3.85Å; L184-W194 VanDerWaalsContact CD2-CE2 3.5Å; L184-W194 HydrophobicContact CD2-CG 3.88Å; L184-W194 HydrophobicContact CD2-CZ2 4.08Å; L184-W194 VanDerWaalsContact CD2-NE1 3.29Å; L184-F218 HydrophobicContact CD1-CE1 3.93Å; L184-F218 HydrophobicContact CD1-CZ 3.86Å
185L96.8Very high97.8Very high109 Ų10948.3 Ų48.357%0.57125%0.247SC*.Hα-helixtrans-70.9-36.3169.1-75.6171.1000111.5E181 Q182E181-L185 HydrophobicContact CG-CD1 4.11Å; E181-L185 HydrophobicContact CG-CG 4.38Å; E181-L185 WeakPolarHBondContact O-CB 3.43Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.45Å; E181-L185 PolarHBondContact O-N 3.03Å; Q182-L185 PolarHBondContact O-N 2.82Å
186N96.2Very high97.9Very high120 Ų12044.2 Ų44.264%0.64223%0.229SC*.Hα-helixtrans-72.9-45.4176.8-67.8-13.8000112.1Q182 M183Q182-N186 PolarHBondContact O-N 3.05Å; Q182-N186 VanDerWaalsContact O-N 3.08Å; M183-N186 PolarHBondContact O-N 3.25Å
187D97.8Very high97.9Very high53 Ų5344.6 Ų44.628%0.28323%0.231SC..  trans-144.5101.3175.5177.815.8000110.6M183 L184 Y189 N190M183-D187 PolarHBondContact O-N 3.25Å; L184-D187 CarbonylContact O-C 3.4Å; D187-Y189 PolarHBondContact O-N 3.33Å; D187-Y189 WeakPolarHBondContact OD1-CA 3.44Å; D187-Y189 WeakPolarHBondContact OD1-CB 3.41Å; D187-Y189 PolarHBondContact OD1-N 3.35Å; D187-N190 HydrophobicContact CB-CB 4.27Å; D187-N190 WeakPolarHBondContact O-CB 3.5Å; D187-N190 PolarHBondContact O-N 3.19Å; D187-N190 VanDerWaalsContact O-N 3.13Å
188V97.9Very high97.8Very high9 Ų946.6 Ų46.66%0.05524%0.238CC..THydrogen-bonded Turntrans-64.8-19.2177.8750000112.5L184 N190 W194 R222 F225 A226 N229L184-V188 WeakPolarHBondContact O-CA 3.35Å; L184-V188 PolarHBondContact O-N 3.39Å; V188-N190 VanDerWaalsContact C-N 3.31Å; V188-W194 HydrophobicContact CG2-CZ2 4.18Å; V188-W194 PolarHBondContact O-NE1 3.41Å; V188-R222 HydrophobicContact CG2-CB 4.06Å; V188-F225 HydrophobicContact CG1-CD1 4.19Å; V188-F225 HydrophobicContact CG1-CE1 4.23Å; V188-A226 HydrophobicContact CG1-CB 3.84Å; V188-N229 PolarHBondContact O-ND2 3.32Å
189Y98.1Very high97.6Very high121 Ų12148.1 Ų48.148%0.47523%0.232SC..THydrogen-bonded Turntrans-88.14.1178.3-58.2-85000113D187 N191 A226 N229D187-Y189 PolarHBondContact O-N 3.33Å; D187-Y189 WeakPolarHBondContact OD1-CA 3.44Å; D187-Y189 WeakPolarHBondContact OD1-CB 3.41Å; D187-Y189 PolarHBondContact OD1-N 3.35Å; Y189-N191 PolarHBondContact O-N 3.15Å; Y189-A226 HydrophobicContact CE1-CB 4.43Å; Y189-N229 HydrophobicContact CD1-CB 3.8Å; Y189-N229 WeakPolarHBondContact CD1-OD1 3.01Å; Y189-N229 HydrophobicContact CE1-CB 3.61Å
190N98.3Very high97.4Very high2 Ų246.9 Ų46.91%0.01123%0.227CC..  trans-75.692.5178.5-171.2-9.7000111.9P153 D187 V188 S192 A193 W194P153-N190 WeakPolarHBondContact CB-ND2 3.24Å; P153-N190 PolarHBondContact O-ND2 3.31Å; D187-N190 HydrophobicContact CB-CB 4.27Å; D187-N190 WeakPolarHBondContact O-CB 3.5Å; D187-N190 PolarHBondContact O-N 3.19Å; D187-N190 VanDerWaalsContact O-N 3.13Å; V188-N190 VanDerWaalsContact C-N 3.31Å; N190-S192 PolarHBondContact O-N 3.32Å; N190-S192 WeakPolarHBondContact OD1-CB 3.48Å; N190-S192 PolarHBondContact OD1-N 3.02Å; N190-A193 HydrophobicContact CB-CB 4.16Å; N190-A193 WeakPolarHBondContact O-CB 3.36Å; N190-A193 PolarHBondContact O-N 2.87Å; N190-A193 VanDerWaalsContact O-N 3.09Å; N190-A193 PolarHBondContact OD1-N 2.88Å; N190-W194 VanDerWaalsContact O-CD1 3.27Å; N190-W194 PolarHBondContact O-N 3.11Å
191N98.6Very high97.2Very high86 Ų8646.9 Ų46.946%0.4623%0.227SC..Hα-helixtrans-60.2-26.6177.9-168.464.4000113.7Y189 W194 N195Y189-N191 PolarHBondContact O-N 3.15Å; N191-W194 PolarHBondContact O-N 3.06Å; N191-N195 VanDerWaalsContact O-CB 3.32Å; N191-N195 WeakPolarHBondContact O-CB 3.28Å; N191-N195 PolarHBondContact O-N 3Å
192S98.5Very high96.8Very high26 Ų2643.9 Ų43.918%0.18221%0.213CC..Hα-helixtrans-66.5-39.2175.4-58.30000111.5W159 N190 N195 H196W159-S192 VanDerWaalsContact NE1-CB 3.29Å; N190-S192 PolarHBondContact O-N 3.32Å; N190-S192 WeakPolarHBondContact OD1-CB 3.48Å; N190-S192 PolarHBondContact OD1-N 3.02Å; S192-N195 PolarHBondContact O-N 3.49Å; S192-H196 WeakPolarHBondContact O-CB 3.25Å; S192-H196 PolarHBondContact O-N 3.39Å
193A98.5Very high96.3Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-68.3-39.9175.100000112.1W159 M183 L184 N190 H196 R197W159-A193 HydrophobicContact CH2-CB 4.14Å; W159-A193 HydrophobicContact CZ2-CB 4.25Å; M183-A193 HydrophobicContact CB-CB 3.87Å; L184-A193 HydrophobicContact CD2-CB 3.76Å; L184-A193 HydrophobicContact CG-CB 4Å; N190-A193 HydrophobicContact CB-CB 4.16Å; N190-A193 WeakPolarHBondContact O-CB 3.36Å; N190-A193 PolarHBondContact O-N 2.87Å; N190-A193 VanDerWaalsContact O-N 3.09Å; N190-A193 PolarHBondContact OD1-N 2.88Å; A193-H196 PolarHBondContact O-N 3.31Å; A193-R197 WeakPolarHBondContact O-CB 3.5Å; A193-R197 PolarHBondContact O-N 3.45Å
194W98.6Very high96Very high4 Ų440 Ų402%0.01520%0.196CC..Hα-helixtrans-61.9-45.2172.5-74.5107.9000112.4L184 V188 N190 N191 R197 Y198 F218 V219 R222 Y235L184-W194 HydrophobicContact CD1-CD2 4.01Å; L184-W194 HydrophobicContact CD1-CE3 4.02Å; L184-W194 HydrophobicContact CD1-CH2 4.19Å; L184-W194 HydrophobicContact CD1-CZ2 4.14Å; L184-W194 HydrophobicContact CD1-CZ3 4.12Å; L184-W194 HydrophobicContact CD2-CD2 3.85Å; L184-W194 VanDerWaalsContact CD2-CE2 3.5Å; L184-W194 HydrophobicContact CD2-CG 3.88Å; L184-W194 HydrophobicContact CD2-CZ2 4.08Å; L184-W194 VanDerWaalsContact CD2-NE1 3.29Å; V188-W194 HydrophobicContact CG2-CZ2 4.18Å; V188-W194 PolarHBondContact O-NE1 3.41Å; N190-W194 VanDerWaalsContact O-CD1 3.27Å; N190-W194 PolarHBondContact O-N 3.11Å; N191-W194 PolarHBondContact O-N 3.06Å; W194-R197 PolarHBondContact O-N 2.77Å; W194-Y198 PolarHBondContact O-N 3.3Å; W194-F218 HydrophobicContact CH2-CD1 4.46Å; W194-F218 AromaticContact CH2-CE1 3.89Å; W194-F218 HydrophobicContact CH2-CE1 3.89Å; W194-F218 HydrophobicContact CZ3-CD1 4.27Å; W194-F218 AromaticContact CZ3-CE1 3.78Å; W194-F218 HydrophobicContact CZ3-CE1 3.78Å; W194-V219 HydrophobicContact CH2-CG2 4.01Å; W194-V219 HydrophobicContact CZ3-CB 4.48Å; W194-V219 HydrophobicContact CZ3-CG2 3.99Å; W194-R222 HydrophobicContact CH2-CB 3.83Å; W194-R222 HydrophobicContact CH2-CG 3.84Å; W194-R222 HydrophobicContact CZ2-CB 3.97Å; W194-R222 HydrophobicContact CZ2-CG 4.16Å; W194-Y235 HydrophobicContact CD2-CG 4.47Å; W194-Y235 AromaticContact CE3-CD1 3.81Å; W194-Y235 HydrophobicContact CE3-CD1 3.81Å; W194-Y235 AromaticContact CE3-CD2 3.74Å; W194-Y235 HydrophobicContact CE3-CD2 3.74Å; W194-Y235 HydrophobicContact CE3-CE1 4.45Å; W194-Y235 HydrophobicContact CE3-CE2 4.4Å; W194-Y235 AromaticContact CE3-CG 3.41Å; W194-Y235 HydrophobicContact CE3-CG 3.41Å; W194-Y235 VanDerWaalsContact CE3-CG 3.41Å; W194-Y235 AromaticContact CZ3-CD1 3.62Å; W194-Y235 HydrophobicContact CZ3-CD1 3.62Å; W194-Y235 HydrophobicContact CZ3-CD2 4.38Å; W194-Y235 HydrophobicContact CZ3-CE1 4.16Å; W194-Y235 AromaticContact CZ3-CG 3.74Å; W194-Y235 HydrophobicContact CZ3-CG 3.74Å
195N97.8Very high95.7Very high82 Ų8242.6 Ų42.644%0.43921%0.209SC..Hα-helixtrans-61.5-45.4175.1174.978.3000111.4N191 S192 R197 Y198 Y199N191-N195 VanDerWaalsContact O-CB 3.32Å; N191-N195 WeakPolarHBondContact O-CB 3.28Å; N191-N195 PolarHBondContact O-N 3Å; S192-N195 PolarHBondContact O-N 3.49Å; N195-R197 PolarHBondContact O-N 2.89Å; N195-Y198 WeakPolarHBondContact O-CB 3.23Å; N195-Y198 PolarHBondContact O-N 2.95Å; N195-Y199 WeakPolarHBondContact O-CD2 3.28Å; N195-Y199 PolarHBondContact O-N 3.32Å; N195-Y199 VanDerWaalsContact O-N 3.09Å
196H97.8Very high95.3Very high6 Ų637.6 Ų37.63%0.02818%0.184CC..Hα-helixtrans-59.7-48.1177.4-165.268.4000110.9W159 I166 E176 T180 S192 A193 Y198 Y199 I200W159-H196 HydrophobicContact CE3-CB 3.78Å; W159-H196 AromaticContact CE3-CG 3.77Å; W159-H196 AromaticContact CE3-ND1 3.92Å; W159-H196 HydrophobicContact CH2-CB 4.36Å; W159-H196 HydrophobicContact CZ3-CB 3.5Å; W159-H196 AromaticContact CZ3-CD2 3.67Å; W159-H196 AromaticContact CZ3-CG 3.49Å; W159-H196 VanDerWaalsContact CZ3-CG 3.49Å; I166-H196 WeakPolarHBondContact CD1-CE1 3.33Å; I166-H196 WeakPolarHBondContact CD1-NE2 3.32Å; E176-H196 IonicContact OE2-CD2 2.75Å; E176-H196 IonicContact OE2-CE1 3.28Å; E176-H196 IonicContact OE2-NE2 2.66Å; E176-H196 PolarHBondContact OE2-NE2 2.94Å; T180-H196 HydrophobicContact CG2-CB 4.24Å; S192-H196 WeakPolarHBondContact O-CB 3.25Å; S192-H196 PolarHBondContact O-N 3.39Å; A193-H196 PolarHBondContact O-N 3.31Å; H196-Y198 VanDerWaalsContact C-N 3.29Å; H196-Y198 PolarHBondContact O-N 3.27Å; H196-Y199 PolarHBondContact O-N 3.38Å; H196-Y199 VanDerWaalsContact O-N 3.11Å; H196-I200 WeakPolarHBondContact O-CG1 3.15Å; H196-I200 PolarHBondContact O-N 3.25Å
197R97.9Very high94.9Very high9 Ų932 Ų323%0.03415%0.153CC..Hα-helixtrans-56.4-42.4175.7-169.9179-177.983.51.5112.3L177 T180 A193 W194 N195 Y199 I200 V201 E215 Y235L177-R197 HydrophobicContact CD2-CG 4.4Å; T180-R197 HydrophobicContact CG2-CB 3.9Å; T180-R197 PolarHBondContact OG1-NH1 3.33Å; T180-R197 VanDerWaalsContact OG1-NH1 3.1Å; A193-R197 WeakPolarHBondContact O-CB 3.5Å; A193-R197 PolarHBondContact O-N 3.45Å; W194-R197 PolarHBondContact O-N 2.77Å; N195-R197 PolarHBondContact O-N 2.89Å; R197-Y199 VanDerWaalsContact C-N 3.34Å; R197-Y199 PolarHBondContact O-N 3.49Å; R197-I200 PolarHBondContact O-N 2.82Å; R197-V201 HydrophobicContact CG-CG2 4.31Å; R197-V201 WeakPolarHBondContact O-CB 3.46Å; R197-V201 WeakPolarHBondContact O-CG2 3.34Å; R197-V201 PolarHBondContact O-N 3.38Å; R197-E215 IonicContact CZ-OE1 2.82Å; R197-E215 IonicContact CZ-OE2 3.5Å; R197-E215 IonicContact NE-OE2 2.68Å; R197-E215 PolarHBondContact NE-OE2 3.05Å; R197-E215 VanDerWaalsContact NH2-CD 3.25Å; R197-E215 IonicContact NH2-OE1 3.4Å; R197-E215 PolarHBondContact NH2-OE1 3.05Å; R197-E215 IonicContact NH2-OE2 3.04Å; R197-E215 PolarHBondContact NH2-OE2 3.45Å; R197-Y235 HydrophobicContact CB-CE2 4.25Å; R197-Y235 HydrophobicContact CG-CE2 4.19Å
198Y96Very high94.4Very high59 Ų5930.9 Ų30.923%0.23115%0.15CC..Hα-helixtrans-58.2-46.9176.9-179.6-90.5000111.2W194 N195 H196 V201 M202 Y235 G238 P242W194-Y198 PolarHBondContact O-N 3.3Å; N195-Y198 WeakPolarHBondContact O-CB 3.23Å; N195-Y198 PolarHBondContact O-N 2.95Å; H196-Y198 VanDerWaalsContact C-N 3.29Å; H196-Y198 PolarHBondContact O-N 3.27Å; Y198-V201 PolarHBondContact O-N 2.92Å; Y198-M202 HydrophobicContact CD1-CB 4.49Å; Y198-M202 HydrophobicContact CD1-CG 4.13Å; Y198-M202 HydrophobicContact CD2-CG 3.79Å; Y198-M202 HydrophobicContact CE1-CB 4.22Å; Y198-M202 HydrophobicContact CE1-CG 3.92Å; Y198-M202 HydrophobicContact CE2-CG 3.56Å; Y198-M202 HydrophobicContact CE2-SD 4.32Å; Y198-M202 HydrophobicContact CG-CG 4.08Å; Y198-M202 WeakPolarHBondContact O-CB 3.5Å; Y198-M202 WeakPolarHBondContact O-CG 3.39Å; Y198-M202 PolarHBondContact O-N 3.33Å; Y198-Y235 HydrophobicContact CD2-CD2 4.47Å; Y198-Y235 HydrophobicContact CD2-CE2 4.38Å; Y198-G238 WeakPolarHBondContact CE2-O 3.41Å; Y198-P242 WeakPolarHBondContact OH-CG 3.4Å
199Y93.1Very high93.9Very high88 Ų8833 Ų3335%0.34517%0.165SC..Hα-helixtrans-63.3-43.1176.7-89.7-85.4000112.9N195 H196 R197 C203 D204N195-Y199 WeakPolarHBondContact O-CD2 3.28Å; N195-Y199 PolarHBondContact O-N 3.32Å; N195-Y199 VanDerWaalsContact O-N 3.09Å; H196-Y199 PolarHBondContact O-N 3.38Å; H196-Y199 VanDerWaalsContact O-N 3.11Å; R197-Y199 VanDerWaalsContact C-N 3.34Å; R197-Y199 PolarHBondContact O-N 3.49Å; Y199-C203 HydrophobicContact CD1-CB 4.47Å; Y199-C203 WeakPolarHBondContact O-CA 3.35Å; Y199-C203 WeakPolarHBondContact O-CB 3.34Å; Y199-C203 PolarHBondContact O-N 3.42Å; Y199-D204 PolarHBondContact O-N 2.86Å
200I95.2Very high93.6Very high0 Ų032.5 Ų32.50%018%0.175CC..Iπ-helixtrans-58.8-51177.4-60.7-52.4000110.7I166 V173 E176 L177 H196 R197 D204 E205I166-I200 HydrophobicContact CD1-CD1 4.21Å; I166-I200 HydrophobicContact CG2-CD1 4.38Å; V173-I200 HydrophobicContact CG1-CG2 3.82Å; E176-I200 HydrophobicContact CB-CD1 3.73Å; E176-I200 HydrophobicContact CB-CG1 3.91Å; E176-I200 HydrophobicContact CB-CG2 4.38Å; E176-I200 HydrophobicContact CG-CD1 4.21Å; L177-I200 HydrophobicContact CD2-CB 4.28Å; L177-I200 HydrophobicContact CD2-CG2 3.69Å; L177-I200 HydrophobicContact CG-CG2 3.83Å; H196-I200 WeakPolarHBondContact O-CG1 3.15Å; H196-I200 PolarHBondContact O-N 3.25Å; R197-I200 PolarHBondContact O-N 2.82Å; I200-D204 VanDerWaalsContact CD1-OD2 3.25Å; I200-D204 WeakPolarHBondContact CD1-OD2 3.4Å; I200-D204 WeakPolarHBondContact O-CB 3.46Å; I200-D204 PolarHBondContact O-N 3.29Å; I200-E205 PolarHBondContact O-N 3.46Å
201V94.1Very high93.4Very high0 Ų033 Ų330%018%0.178CC..Iπ-helixtrans-65.3-52.4-178.8169.20000111.4L177 R197 Y198 G206 L207 V211 E215 L239L177-V201 HydrophobicContact CD2-CG2 3.87Å; R197-V201 HydrophobicContact CG-CG2 4.31Å; R197-V201 WeakPolarHBondContact O-CB 3.46Å; R197-V201 WeakPolarHBondContact O-CG2 3.34Å; R197-V201 PolarHBondContact O-N 3.38Å; Y198-V201 PolarHBondContact O-N 2.92Å; V201-G206 CarbonylContact O-C 3.57Å; V201-G206 WeakPolarHBondContact O-CA 3.46Å; V201-G206 PolarHBondContact O-N 3.11Å; V201-L207 HydrophobicContact CG1-CD1 4.16Å; V201-V211 HydrophobicContact CG1-CG1 3.82Å; V201-E215 HydrophobicContact CG1-CG 3.81Å; V201-E215 HydrophobicContact CG2-CG 3.88Å; V201-L239 HydrophobicContact CG1-CD2 4.38Å
202M89.6Confident93.1Very high14 Ų1429.7 Ų29.77%0.06916%0.16CC..Iπ-helixtrans-79.3-31.4-168.1-62.4-61.9-62.300112.8Y198 L207 L239 P242Y198-M202 HydrophobicContact CD1-CB 4.49Å; Y198-M202 HydrophobicContact CD1-CG 4.13Å; Y198-M202 HydrophobicContact CD2-CG 3.79Å; Y198-M202 HydrophobicContact CE1-CB 4.22Å; Y198-M202 HydrophobicContact CE1-CG 3.92Å; Y198-M202 HydrophobicContact CE2-CG 3.56Å; Y198-M202 HydrophobicContact CE2-SD 4.32Å; Y198-M202 HydrophobicContact CG-CG 4.08Å; Y198-M202 WeakPolarHBondContact O-CB 3.5Å; Y198-M202 WeakPolarHBondContact O-CG 3.39Å; Y198-M202 PolarHBondContact O-N 3.33Å; M202-L207 HydrophobicContact CE-CB 4.14Å; M202-L207 HydrophobicContact CE-CD2 3.77Å; M202-L207 HydrophobicContact CE-CG 4.47Å; M202-L207 HydrophobicContact SD-CB 3.95Å; M202-L207 HydrophobicContact SD-CD1 3.92Å; M202-L207 HydrophobicContact SD-CD2 3.81Å; M202-L207 HydrophobicContact SD-CG 4.12Å; M202-L239 HydrophobicContact SD-CD2 4.19Å; M202-P242 HydrophobicContact CE-CB 4.11Å; M202-P242 HydrophobicContact CE-CG 3.73Å
203C86.9Confident92.8Very high9 Ų932.7 Ų32.76%0.06117%0.171CC..Iπ-helixtrans-110-40.5-168.3-45.30000112.3Y199 C255Y199-C203 HydrophobicContact CD1-CB 4.47Å; Y199-C203 WeakPolarHBondContact O-CA 3.35Å; Y199-C203 WeakPolarHBondContact O-CB 3.34Å; Y199-C203 PolarHBondContact O-N 3.42Å; C203-C255 HydrophobicContact CB-CB 3.61Å; C203-C255 WeakPolarHBondContact CB-SG 3.42Å; C203-C255 WeakPolarHBondContact SG-CB 3.17Å; C203-C255 CovalentContact SG-SG 2.03Å; C203-C255 PolarHBondContact SG-SG 3.01Å
204D90.3Very high92.7Very high39 Ų3936.9 Ų36.921%0.20919%0.187CC..Iπ-helixtrans-89.8-53.4-176.8-55.3-40.2000112R163 V173 Y199 I200 K256R163-D204 IonicContact CZ-OD1 3.01Å; R163-D204 IonicContact CZ-OD2 2.67Å; R163-D204 VanDerWaalsContact CZ-OD2 3.27Å; R163-D204 IonicContact NH1-OD1 3.23Å; R163-D204 PolarHBondContact NH1-OD1 3.27Å; R163-D204 IonicContact NH1-OD2 3.02Å; R163-D204 PolarHBondContact NH1-OD2 3.45Å; R163-D204 VanDerWaalsContact NH2-CG 3.33Å; R163-D204 IonicContact NH2-OD1 2.67Å; R163-D204 PolarHBondContact NH2-OD1 2.94Å; R163-D204 IonicContact NH2-OD2 3.8Å; R163-D204 PolarHBondContact NH2-OD2 3.34Å; R163-D204 VanDerWaalsContact NH2-OD2 3.14Å; V173-D204 HydrophobicContact CG2-CB 3.91Å; Y199-D204 PolarHBondContact O-N 2.86Å; I200-D204 VanDerWaalsContact CD1-OD2 3.25Å; I200-D204 WeakPolarHBondContact CD1-OD2 3.4Å; I200-D204 WeakPolarHBondContact O-CB 3.46Å; I200-D204 PolarHBondContact O-N 3.29Å; D204-K256 PolarHBondContact O-NZ 3.35Å
205E92.2Very high92.7Very high59 Ų5936.7 Ų36.728%0.27619%0.186SC..Iπ-helixtrans-73-49.1178.1-166174.8-165.100111.3V173 I200 V211 R214V173-E205 HydrophobicContact CG1-CB 3.77Å; V173-E205 HydrophobicContact CG1-CG 4.01Å; V173-E205 HydrophobicContact CG2-CB 4.29Å; I200-E205 PolarHBondContact O-N 3.46Å; E205-V211 HydrophobicContact CG-CG2 4.2Å; E205-R214 IonicContact OE1-CZ 3.84Å; E205-R214 IonicContact OE1-NH1 2.81Å; E205-R214 PolarHBondContact OE1-NH1 3.36Å; E205-R214 IonicContact OE1-NH2 3.32Å; E205-R214 IonicContact OE2-CZ 3.53Å; E205-R214 IonicContact OE2-NH1 3.65Å; E205-R214 PolarHBondContact OE2-NH1 3.47Å; E205-R214 IonicContact OE2-NH2 3.69Å; E205-R214 PolarHBondContact OE2-NH2 3.48Å
206G88.4Confident92.6Very high4 Ų433 Ų334%0.04117%0.166CC..  trans90.7136.4-173.400000111.9V201 S208V201-G206 CarbonylContact O-C 3.57Å; V201-G206 WeakPolarHBondContact O-CA 3.46Å; V201-G206 PolarHBondContact O-N 3.11Å; G206-S208 PolarHBondContact O-N 3.36Å; G206-S208 VanDerWaalsContact O-N 3.12Å
207L86.7Confident92.6Very high2 Ų235.9 Ų35.91%0.0118%0.182CC..  trans-81.795.8-176.6-166.470.9000111.1V201 M202 V211 L212 L239 I243 L258 L263V201-L207 HydrophobicContact CG1-CD1 4.16Å; M202-L207 HydrophobicContact CE-CB 4.14Å; M202-L207 HydrophobicContact CE-CD2 3.77Å; M202-L207 HydrophobicContact CE-CG 4.47Å; M202-L207 HydrophobicContact SD-CB 3.95Å; M202-L207 HydrophobicContact SD-CD1 3.92Å; M202-L207 HydrophobicContact SD-CD2 3.81Å; M202-L207 HydrophobicContact SD-CG 4.12Å; L207-V211 HydrophobicContact CD1-CG1 4.16Å; L207-L212 HydrophobicContact CD1-CB 3.86Å; L207-L212 HydrophobicContact CD1-CD1 4.17Å; L207-L212 HydrophobicContact CD2-CD1 4.35Å; L207-L212 HydrophobicContact CG-CB 4.22Å; L207-L239 WeakPolarHBondContact CD2-O 3.38Å; L207-I243 HydrophobicContact CD2-CD1 3.79Å; L207-I243 HydrophobicContact CD2-CG1 4.45Å; L207-L258 HydrophobicContact CB-CD2 4.03Å; L207-L258 HydrophobicContact CD2-CD2 4.12Å; L207-L263 WeakPolarHBondContact O-CD1 3.43Å
208S87.7Confident92.6Very high30 Ų3036.4 Ų36.421%0.2119%0.185CC..  trans-91.9167.5165.2670000110.7G206 T210 V211 L212G206-S208 PolarHBondContact O-N 3.36Å; G206-S208 VanDerWaalsContact O-N 3.12Å; S208-T210 PolarHBondContact O-N 2.82Å; S208-T210 PolarHBondContact OG-OG1 3.13Å; S208-T210 VanDerWaalsContact OG-OG1 3.04Å; S208-V211 PolarHBondContact O-N 2.98Å; S208-V211 VanDerWaalsContact OG-CG2 3.28Å; S208-V211 WeakPolarHBondContact OG-CG2 3.26Å; S208-V211 PolarHBondContact OG-N 3.21Å; S208-L212 WeakPolarHBondContact O-CB 3.43Å; S208-L212 PolarHBondContact O-N 3Å
209S87.4Confident92.7Very high54 Ų5433.6 Ų33.638%0.37817%0.174SC..Hα-helixtrans-57-35.8176.6-61.80000113Q213 D260S209-Q213 PolarHBondContact O-N 3.28Å; S209-Q213 VanDerWaalsContact O-N 3.13Å; S209-D260 PolarHBondContact OG-OD2 3.46Å
210T92.3Very high92.9Very high110 Ų11031.2 Ų31.268%0.67517%0.166SC*.Hα-helixtrans-73.4-40.7177.453.90000112.4S208 Q213 R214S208-T210 PolarHBondContact O-N 2.82Å; S208-T210 PolarHBondContact OG-OG1 3.13Å; S208-T210 VanDerWaalsContact OG-OG1 3.04Å; T210-Q213 PolarHBondContact O-N 2.95Å; T210-R214 PolarHBondContact O-N 3.43Å
211V93.1Very high93Very high12 Ų1238 Ų387%0.07320%0.195CC..Hα-helixtrans-65-43.3175.4172.70000110.3V201 E205 L207 S208 Q213 R214 E215V201-V211 HydrophobicContact CG1-CG1 3.82Å; E205-V211 HydrophobicContact CG-CG2 4.2Å; L207-V211 HydrophobicContact CD1-CG1 4.16Å; S208-V211 PolarHBondContact O-N 2.98Å; S208-V211 VanDerWaalsContact OG-CG2 3.28Å; S208-V211 WeakPolarHBondContact OG-CG2 3.26Å; S208-V211 PolarHBondContact OG-N 3.21Å; V211-Q213 PolarHBondContact O-N 3.21Å; V211-R214 WeakPolarHBondContact O-CB 3.42Å; V211-R214 PolarHBondContact O-N 2.95Å; V211-E215 HydrophobicContact CG1-CG 4.43Å; V211-E215 WeakPolarHBondContact O-CG 3.41Å; V211-E215 PolarHBondContact O-N 3Å
212L91.9Very high93.2Very high17 Ų1740 Ų409%0.08920%0.203CC..Hα-helixtrans-57.5-50175.8177.659.6000111L207 S208 R214 E215 I216 L239 L240 I243 L263L207-L212 HydrophobicContact CD1-CB 3.86Å; L207-L212 HydrophobicContact CD1-CD1 4.17Å; L207-L212 HydrophobicContact CD2-CD1 4.35Å; L207-L212 HydrophobicContact CG-CB 4.22Å; S208-L212 WeakPolarHBondContact O-CB 3.43Å; S208-L212 PolarHBondContact O-N 3Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 3.3Å; L212-E215 PolarHBondContact O-N 3Å; L212-I216 HydrophobicContact CD1-CD1 3.94Å; L212-I216 HydrophobicContact CD1-CG1 4.11Å; L212-I216 HydrophobicContact CG-CD1 3.95Å; L212-I216 HydrophobicContact CG-CG1 4.46Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å; L212-I216 PolarHBondContact O-N 3.47Å; L212-L239 HydrophobicContact CD1-CB 4.12Å; L212-L240 HydrophobicContact CD1-CD2 3.91Å; L212-L240 HydrophobicContact CD2-CD2 3.83Å; L212-L240 HydrophobicContact CG-CD2 4.49Å; L212-I243 HydrophobicContact CD2-CD1 4.37Å; L212-L263 HydrophobicContact CD2-CD2 3.99Å
213Q93.7Very high93.5Very high89 Ų8939.3 Ų39.342%0.41620%0.199SC..Hα-helixtrans-59.8-43.5177.8-172.661.654.500112S209 T210 V211 E215 I216 D217S209-Q213 PolarHBondContact O-N 3.28Å; S209-Q213 VanDerWaalsContact O-N 3.13Å; T210-Q213 PolarHBondContact O-N 2.95Å; V211-Q213 PolarHBondContact O-N 3.21Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 2.9Å; Q213-I216 PolarHBondContact O-N 2.97Å; Q213-D217 PolarHBondContact NE2-OD1 2.89Å; Q213-D217 VanDerWaalsContact O-CG 3.25Å; Q213-D217 PolarHBondContact O-N 3.09Å
214R96.8Very high93.9Very high87 Ų8744.7 Ų44.733%0.32822%0.222SC..Hα-helixtrans-56.9-44.7176.3-174.5-166.173.3-157.5-4.1111.8E205 T210 V211 L212 D217 F218E205-R214 IonicContact OE1-CZ 3.84Å; E205-R214 IonicContact OE1-NH1 2.81Å; E205-R214 PolarHBondContact OE1-NH1 3.36Å; E205-R214 IonicContact OE1-NH2 3.32Å; E205-R214 IonicContact OE2-CZ 3.53Å; E205-R214 IonicContact OE2-NH1 3.65Å; E205-R214 PolarHBondContact OE2-NH1 3.47Å; E205-R214 IonicContact OE2-NH2 3.69Å; E205-R214 PolarHBondContact OE2-NH2 3.48Å; T210-R214 PolarHBondContact O-N 3.43Å; V211-R214 WeakPolarHBondContact O-CB 3.42Å; V211-R214 PolarHBondContact O-N 2.95Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 3.3Å; R214-D217 PolarHBondContact O-N 3.11Å; R214-F218 WeakPolarHBondContact O-CB 3.44Å; R214-F218 PolarHBondContact O-N 3.2Å
215E97.4Very high94.1Very high0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-74.2-32.8-178.5-66.8-49.512200113.2R197 V201 V211 L212 Q213 F218 V219 Y235 L239R197-E215 IonicContact CZ-OE1 2.82Å; R197-E215 IonicContact CZ-OE2 3.5Å; R197-E215 IonicContact NE-OE2 2.68Å; R197-E215 PolarHBondContact NE-OE2 3.05Å; R197-E215 VanDerWaalsContact NH2-CD 3.25Å; R197-E215 IonicContact NH2-OE1 3.4Å; R197-E215 PolarHBondContact NH2-OE1 3.05Å; R197-E215 IonicContact NH2-OE2 3.04Å; R197-E215 PolarHBondContact NH2-OE2 3.45Å; V201-E215 HydrophobicContact CG1-CG 3.81Å; V201-E215 HydrophobicContact CG2-CG 3.88Å; V211-E215 HydrophobicContact CG1-CG 4.43Å; V211-E215 WeakPolarHBondContact O-CG 3.41Å; V211-E215 PolarHBondContact O-N 3Å; L212-E215 PolarHBondContact O-N 3Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 2.9Å; E215-F218 PolarHBondContact O-N 2.95Å; E215-V219 WeakPolarHBondContact O-CG1 3.35Å; E215-V219 PolarHBondContact O-N 3.41Å; E215-Y235 PolarHBondContact OE2-OH 3.31Å; E215-L239 HydrophobicContact CB-CD1 3.72Å; E215-L239 HydrophobicContact CB-CD2 4.14Å
216I96.6Very high94.3Very high4 Ų448 Ų482%0.02123%0.234CC..Hα-helixtrans-60.7-50.4170-68.6177.2000109.7L212 Q213 F218 V219 Q220 F236 I275L212-I216 HydrophobicContact CD1-CD1 3.94Å; L212-I216 HydrophobicContact CD1-CG1 4.11Å; L212-I216 HydrophobicContact CG-CD1 3.95Å; L212-I216 HydrophobicContact CG-CG1 4.46Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å; L212-I216 PolarHBondContact O-N 3.47Å; Q213-I216 PolarHBondContact O-N 2.97Å; I216-F218 VanDerWaalsContact C-N 3.26Å; I216-F218 PolarHBondContact O-N 3.24Å; I216-V219 WeakPolarHBondContact O-CG1 3.11Å; I216-V219 PolarHBondContact O-N 2.89Å; I216-Q220 HydrophobicContact CG2-CG 4.27Å; I216-Q220 WeakPolarHBondContact O-CB 3.46Å; I216-Q220 VanDerWaalsContact O-CG 3.24Å; I216-Q220 WeakPolarHBondContact O-CG 3.45Å; I216-Q220 PolarHBondContact O-N 3.1Å; I216-F236 HydrophobicContact CB-CE2 4.48Å; I216-F236 HydrophobicContact CD1-CE2 4.47Å; I216-F236 HydrophobicContact CG1-CE2 3.94Å; I216-F236 HydrophobicContact CG2-CE2 4.12Å; I216-F236 HydrophobicContact CG2-CZ 4.39Å; I216-I275 HydrophobicContact CD1-CG2 4.46Å; I216-I275 HydrophobicContact CG2-CG2 4.27Å
217D97.2Very high94.7Very high67 Ų6748.8 Ų48.836%0.35824%0.239SC..Hα-helixtrans-60.8-37.5178.8-65.4-10.9000111.7Q213 R214 K221Q213-D217 PolarHBondContact NE2-OD1 2.89Å; Q213-D217 VanDerWaalsContact O-CG 3.25Å; Q213-D217 PolarHBondContact O-N 3.09Å; R214-D217 PolarHBondContact O-N 3.11Å; D217-K221 WeakPolarHBondContact O-CD 3.23Å; D217-K221 VanDerWaalsContact O-CG 3.29Å; D217-K221 WeakPolarHBondContact O-CG 3.49Å; D217-K221 PolarHBondContact O-N 3.03Å
218F98.1Very high95.2Very high21 Ų2152.8 Ų52.89%0.09226%0.26CS..Hα-helixtrans-65.2-53.1177176.1-94.2000111.8E181 L184 W194 R214 E215 I216 K221 R222E181-F218 HydrophobicContact CB-CE2 4.48Å; E181-F218 HydrophobicContact CG-CE2 4.19Å; L184-F218 HydrophobicContact CD1-CE1 3.93Å; L184-F218 HydrophobicContact CD1-CZ 3.86Å; W194-F218 HydrophobicContact CH2-CD1 4.46Å; W194-F218 AromaticContact CH2-CE1 3.89Å; W194-F218 HydrophobicContact CH2-CE1 3.89Å; W194-F218 HydrophobicContact CZ3-CD1 4.27Å; W194-F218 AromaticContact CZ3-CE1 3.78Å; W194-F218 HydrophobicContact CZ3-CE1 3.78Å; R214-F218 WeakPolarHBondContact O-CB 3.44Å; R214-F218 PolarHBondContact O-N 3.2Å; E215-F218 PolarHBondContact O-N 2.95Å; I216-F218 VanDerWaalsContact C-N 3.26Å; I216-F218 PolarHBondContact O-N 3.24Å; F218-K221 PolarHBondContact O-N 3.41Å; F218-R222 HydrophobicContact CE1-CG 4.26Å; F218-R222 HydrophobicContact CZ-CG 4.36Å; F218-R222 PolarHBondContact O-N 2.87Å
219V98.2Very high95.7Very high0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-69.1-37.4-174.571.30000111.9W194 E215 I216 K221 R222 I223 S232 Y235 F236W194-V219 HydrophobicContact CH2-CG2 4.01Å; W194-V219 HydrophobicContact CZ3-CB 4.48Å; W194-V219 HydrophobicContact CZ3-CG2 3.99Å; E215-V219 WeakPolarHBondContact O-CG1 3.35Å; E215-V219 PolarHBondContact O-N 3.41Å; I216-V219 WeakPolarHBondContact O-CG1 3.11Å; I216-V219 PolarHBondContact O-N 2.89Å; V219-K221 VanDerWaalsContact C-N 3.32Å; V219-K221 PolarHBondContact O-N 2.73Å; V219-R222 PolarHBondContact O-N 3.11Å; V219-I223 HydrophobicContact CG2-CD1 4.09Å; V219-I223 HydrophobicContact CG2-CG1 4.37Å; V219-I223 WeakPolarHBondContact O-CG1 3.39Å; V219-I223 PolarHBondContact O-N 3.42Å; V219-S232 WeakPolarHBondContact CG2-O 3.48Å; V219-Y235 HydrophobicContact CB-CD1 3.94Å; V219-Y235 HydrophobicContact CB-CE1 4.29Å; V219-Y235 HydrophobicContact CG2-CD1 3.8Å; V219-F236 HydrophobicContact CG1-CB 3.81Å; V219-F236 HydrophobicContact CG1-CD1 4.49Å; V219-F236 HydrophobicContact CG1-CD2 3.7Å; V219-F236 HydrophobicContact CG1-CE2 4.41Å; V219-F236 HydrophobicContact CG1-CG 3.75Å; V219-F236 HydrophobicContact CG2-CB 3.96Å
220Q97.5Very high96.1Very high38 Ų3853.3 Ų53.318%0.17825%0.254CS..Hα-helixtrans-59.4-42176.9-73.9-178.2-1900111.7I216 R222 I223 F224 F279I216-Q220 HydrophobicContact CG2-CG 4.27Å; I216-Q220 WeakPolarHBondContact O-CB 3.46Å; I216-Q220 VanDerWaalsContact O-CG 3.24Å; I216-Q220 WeakPolarHBondContact O-CG 3.45Å; I216-Q220 PolarHBondContact O-N 3.1Å; Q220-R222 VanDerWaalsContact C-N 3.3Å; Q220-R222 PolarHBondContact O-N 2.97Å; Q220-I223 PolarHBondContact O-N 2.98Å; Q220-F224 WeakPolarHBondContact O-CD2 3.42Å; Q220-F224 PolarHBondContact O-N 3.25Å; Q220-F279 HydrophobicContact CB-CD2 4.37Å; Q220-F279 HydrophobicContact CB-CE2 3.69Å; Q220-F279 HydrophobicContact CB-CZ 3.8Å; Q220-F279 HydrophobicContact CG-CD1 4.25Å; Q220-F279 HydrophobicContact CG-CD2 3.75Å; Q220-F279 HydrophobicContact CG-CE1 4.03Å; Q220-F279 HydrophobicContact CG-CE2 3.52Å; Q220-F279 HydrophobicContact CG-CG 4.11Å; Q220-F279 HydrophobicContact CG-CZ 3.67Å; Q220-F279 VanDerWaalsContact NE2-CD2 3.29Å
221K97Very high96.4Very high142 Ų14248.8 Ų48.862%0.61723%0.227SC*.Hα-helixtrans-60.8-37.8174.8-70.9170.7-171.9172.30112.5D217 F218 V219 F225D217-K221 WeakPolarHBondContact O-CD 3.23Å; D217-K221 VanDerWaalsContact O-CG 3.29Å; D217-K221 WeakPolarHBondContact O-CG 3.49Å; D217-K221 PolarHBondContact O-N 3.03Å; F218-K221 PolarHBondContact O-N 3.41Å; V219-K221 VanDerWaalsContact C-N 3.32Å; V219-K221 PolarHBondContact O-N 2.73Å; K221-F225 PolarHBondContact O-N 2.86Å
222R97.5Very high96.7Very high42 Ų4248.2 Ų48.216%0.15822%0.223CC..Hα-helixtrans-73.3-36.3177.4-60.3-58.3-179.4-139.7-3.2112E181 V188 W194 F218 V219 Q220 F225 A226E181-R222 IonicContact OE1-NH2 3.57Å; E181-R222 PolarHBondContact OE1-NH2 2.78Å; V188-R222 HydrophobicContact CG2-CB 4.06Å; W194-R222 HydrophobicContact CH2-CB 3.83Å; W194-R222 HydrophobicContact CH2-CG 3.84Å; W194-R222 HydrophobicContact CZ2-CB 3.97Å; W194-R222 HydrophobicContact CZ2-CG 4.16Å; F218-R222 HydrophobicContact CE1-CG 4.26Å; F218-R222 HydrophobicContact CZ-CG 4.36Å; F218-R222 PolarHBondContact O-N 2.87Å; V219-R222 PolarHBondContact O-N 3.11Å; Q220-R222 VanDerWaalsContact C-N 3.3Å; Q220-R222 PolarHBondContact O-N 2.97Å; R222-F225 PolarHBondContact O-N 2.88Å; R222-A226 PolarHBondContact O-N 2.76Å
223I97.6Very high97Very high0 Ų047.5 Ų47.50%022%0.219CC..Hα-helixtrans-62.5-45.7173.5-71.9168.8000110.7V219 Q220 F225 A226 P227 W233 F236 F279 L283V219-I223 HydrophobicContact CG2-CD1 4.09Å; V219-I223 HydrophobicContact CG2-CG1 4.37Å; V219-I223 WeakPolarHBondContact O-CG1 3.39Å; V219-I223 PolarHBondContact O-N 3.42Å; Q220-I223 PolarHBondContact O-N 2.98Å; I223-F225 PolarHBondContact O-N 3.37Å; I223-A226 CarbonylContact O-C 3.2Å; I223-A226 PolarHBondContact O-N 3.35Å; I223-A226 VanDerWaalsContact O-N 3.14Å; I223-P227 VanDerWaalsContact O-CA 3.23Å; I223-P227 WeakPolarHBondContact O-CA 3.37Å; I223-P227 WeakPolarHBondContact O-CD 3.47Å; I223-W233 HydrophobicContact CB-CZ2 4.47Å; I223-W233 HydrophobicContact CD1-CD2 3.85Å; I223-W233 HydrophobicContact CD1-CE3 3.84Å; I223-W233 HydrophobicContact CD1-CG 4.43Å; I223-W233 HydrophobicContact CD1-CH2 4.31Å; I223-W233 HydrophobicContact CD1-CZ2 4.29Å; I223-W233 HydrophobicContact CD1-CZ3 4.07Å; I223-W233 HydrophobicContact CG1-CD2 4.31Å; I223-W233 HydrophobicContact CG1-CZ2 4.49Å; I223-W233 HydrophobicContact CG2-CH2 3.84Å; I223-W233 HydrophobicContact CG2-CZ2 3.24Å; I223-F236 HydrophobicContact CD1-CB 4.35Å; I223-F236 HydrophobicContact CD1-CD1 4.01Å; I223-F279 HydrophobicContact CB-CE1 4.26Å; I223-F279 HydrophobicContact CB-CZ 4.16Å; I223-F279 HydrophobicContact CD1-CE1 3.88Å; I223-F279 HydrophobicContact CD1-CZ 4.48Å; I223-F279 HydrophobicContact CG2-CE1 3.84Å; I223-F279 HydrophobicContact CG2-CZ 3.89Å; I223-L283 HydrophobicContact CG2-CD2 3.67Å
224F95.4Very high97.1Very high122 Ų12247.1 Ų47.154%0.53522%0.22SC..Hα-helixtrans-57.8-35.8175.7-80.7-62.7000112.7Q220 F279 L283Q220-F224 WeakPolarHBondContact O-CD2 3.42Å; Q220-F224 PolarHBondContact O-N 3.25Å; F224-F279 HydrophobicContact CD2-CE2 4.31Å; F224-F279 AromaticContact CE2-CE2 3.59Å; F224-F279 HydrophobicContact CE2-CE2 3.59Å; F224-F279 HydrophobicContact CE2-CZ 4.21Å; F224-F279 AromaticContact CZ-CE2 3.73Å; F224-F279 HydrophobicContact CZ-CE2 3.73Å; F224-F279 HydrophobicContact CZ-CZ 4.41Å; F224-L283 HydrophobicContact CD1-CD1 3.79Å; F224-L283 HydrophobicContact CE1-CD1 3.69Å
225F94.5Very high97.2Very high163 Ų16343.4 Ų43.472%0.71521%0.206SC*.Hα-helixtrans-72-36.5177.4178.6-99.8000113V188 K221 R222 I223V188-F225 HydrophobicContact CG1-CD1 4.19Å; V188-F225 HydrophobicContact CG1-CE1 4.23Å; K221-F225 PolarHBondContact O-N 2.86Å; R222-F225 PolarHBondContact O-N 2.88Å; I223-F225 PolarHBondContact O-N 3.37Å
226A96.4Very high97.2Very high3 Ų343.4 Ų43.43%0.02521%0.206CC..  trans-138.578.7-179.600000111.4V188 Y189 R222 I223 N228 N229V188-A226 HydrophobicContact CG1-CB 3.84Å; Y189-A226 HydrophobicContact CE1-CB 4.43Å; R222-A226 PolarHBondContact O-N 2.76Å; I223-A226 CarbonylContact O-C 3.2Å; I223-A226 PolarHBondContact O-N 3.35Å; I223-A226 VanDerWaalsContact O-N 3.14Å; A226-N228 PolarHBondContact O-N 2.83Å; A226-N228 VanDerWaalsContact O-N 3.11Å; A226-N229 HydrophobicContact CB-CB 3.95Å; A226-N229 VanDerWaalsContact O-CB 3.25Å; A226-N229 WeakPolarHBondContact O-CB 3.44Å; A226-N229 PolarHBondContact O-N 3.47Å
227P96.3Very high97.2Very high22 Ų2245.4 Ų45.414%0.14321%0.214CC..THydrogen-bonded Turntrans-60.7-27.9-171.7-27.535.5000114.5I223 W233 A290 P296I223-P227 VanDerWaalsContact O-CA 3.23Å; I223-P227 WeakPolarHBondContact O-CA 3.37Å; I223-P227 WeakPolarHBondContact O-CD 3.47Å; P227-W233 PolarHBondContact O-NE1 2.82Å; P227-A290 HydrophobicContact CB-CB 3.76Å; P227-A290 HydrophobicContact CG-CB 4.35Å; P227-P296 WeakPolarHBondContact O-CD 3.4Å
228N96.5Very high97Very high85 Ų8542.9 Ų42.946%0.45520%0.203SC..THydrogen-bonded Turntrans-88.76178.2-153.225.4000114.3A226 E230 C293 L294A226-N228 PolarHBondContact O-N 2.83Å; A226-N228 VanDerWaalsContact O-N 3.11Å; N228-E230 PolarHBondContact O-N 2.84Å; N228-E230 VanDerWaalsContact O-N 3.17Å; N228-C293 HydrophobicContact CB-CB 3.93Å; N228-C293 VanDerWaalsContact CB-SG 3.51Å; N228-C293 VanDerWaalsContact OD1-CB 3.3Å; N228-C293 WeakPolarHBondContact OD1-CB 3.3Å; N228-L294 PolarHBondContact OD1-N 2.9Å
229N97.5Very high96.7Very high3 Ų341.9 Ų41.92%0.01620%0.199CC..  trans-76.9101.7-179.4177.717.9000111.6V188 Y189 A226 S231 S232 W233V188-N229 PolarHBondContact O-ND2 3.32Å; Y189-N229 HydrophobicContact CD1-CB 3.8Å; Y189-N229 WeakPolarHBondContact CD1-OD1 3.01Å; Y189-N229 HydrophobicContact CE1-CB 3.61Å; A226-N229 HydrophobicContact CB-CB 3.95Å; A226-N229 VanDerWaalsContact O-CB 3.25Å; A226-N229 WeakPolarHBondContact O-CB 3.44Å; A226-N229 PolarHBondContact O-N 3.47Å; N229-S231 PolarHBondContact O-N 2.98Å; N229-S231 WeakPolarHBondContact OD1-CB 3.48Å; N229-S231 PolarHBondContact OD1-N 3.08Å; N229-S231 VanDerWaalsContact OD1-N 3.09Å; N229-S231 PolarHBondContact OD1-OG 2.99Å; N229-S232 PolarHBondContact ND2-OG 3.09Å; N229-S232 PolarHBondContact O-N 3.46Å; N229-S232 PolarHBondContact O-OG 2.67Å; N229-W233 PolarHBondContact O-N 2.98Å
230E97.5Very high96.1Very high93 Ų9342.2 Ų42.244%0.43520%0.201SC..Hα-helixtrans-55.1-35.6178-166.5-178.7164.400113.1N228 S232 W233 N234 A295N228-E230 PolarHBondContact O-N 2.84Å; N228-E230 VanDerWaalsContact O-N 3.17Å; E230-S232 PolarHBondContact O-N 3.44Å; E230-W233 PolarHBondContact O-N 2.86Å; E230-N234 WeakPolarHBondContact O-CB 3.44Å; E230-N234 VanDerWaalsContact O-CG 3.23Å; E230-N234 PolarHBondContact O-N 3.03Å; E230-A295 HydrophobicContact CB-CB 4.45Å
231S98.3Very high95.6Very high15 Ų1541.4 Ų41.411%0.10520%0.197CC..Hα-helixtrans-62.9-41.8-176-500000112.4N229 Y235N229-S231 PolarHBondContact O-N 2.98Å; N229-S231 WeakPolarHBondContact OD1-CB 3.48Å; N229-S231 PolarHBondContact OD1-N 3.08Å; N229-S231 VanDerWaalsContact OD1-N 3.09Å; N229-S231 PolarHBondContact OD1-OG 2.99Å; S231-Y235 WeakPolarHBondContact O-CB 3.39Å; S231-Y235 PolarHBondContact O-N 3.43Å
232S98.3Very high94.8Very high0 Ų035 Ų350%017%0.17CC..Hα-helixtrans-70-35.9177.948.40000112.5V219 N229 E230 Y235 F236V219-S232 WeakPolarHBondContact CG2-O 3.48Å; N229-S232 PolarHBondContact ND2-OG 3.09Å; N229-S232 PolarHBondContact O-N 3.46Å; N229-S232 PolarHBondContact O-OG 2.67Å; E230-S232 PolarHBondContact O-N 3.44Å; S232-Y235 PolarHBondContact O-N 3.21Å; S232-F236 WeakPolarHBondContact O-CB 3.24Å; S232-F236 PolarHBondContact O-N 2.93Å
233W98.2Very high94.1Very high2 Ų233.3 Ų33.31%0.00816%0.164CC..Hα-helixtrans-68.6-42175.3-72.6104.9000111.9I223 P227 N229 E230 Y235 F236 Y237 F279 A280 L283 A295 P296 F299I223-W233 HydrophobicContact CB-CZ2 4.47Å; I223-W233 HydrophobicContact CD1-CD2 3.85Å; I223-W233 HydrophobicContact CD1-CE3 3.84Å; I223-W233 HydrophobicContact CD1-CG 4.43Å; I223-W233 HydrophobicContact CD1-CH2 4.31Å; I223-W233 HydrophobicContact CD1-CZ2 4.29Å; I223-W233 HydrophobicContact CD1-CZ3 4.07Å; I223-W233 HydrophobicContact CG1-CD2 4.31Å; I223-W233 HydrophobicContact CG1-CZ2 4.49Å; I223-W233 HydrophobicContact CG2-CH2 3.84Å; I223-W233 HydrophobicContact CG2-CZ2 3.24Å; P227-W233 PolarHBondContact O-NE1 2.82Å; N229-W233 PolarHBondContact O-N 2.98Å; E230-W233 PolarHBondContact O-N 2.86Å; W233-Y235 VanDerWaalsContact C-N 3.34Å; W233-Y235 PolarHBondContact O-N 3.41Å; W233-F236 HydrophobicContact CE3-CD1 4.42Å; W233-F236 HydrophobicContact CZ3-CD1 4.43Å; W233-F236 PolarHBondContact O-N 3.05Å; W233-Y237 WeakPolarHBondContact O-CB 3.4Å; W233-Y237 PolarHBondContact O-N 3.08Å; W233-F279 HydrophobicContact CH2-CD1 4.09Å; W233-F279 AromaticContact CH2-CE1 3.74Å; W233-F279 HydrophobicContact CH2-CE1 3.74Å; W233-F279 HydrophobicContact CZ3-CD1 4.13Å; W233-F279 HydrophobicContact CZ3-CE1 4.03Å; W233-A280 HydrophobicContact CH2-CB 4.11Å; W233-A280 HydrophobicContact CZ3-CB 4.02Å; W233-L283 HydrophobicContact CH2-CD2 3.96Å; W233-L283 HydrophobicContact CZ2-CD2 3.73Å; W233-A295 HydrophobicContact CG-CB 4.04Å; W233-P296 HydrophobicContact CH2-CB 3.95Å; W233-P296 HydrophobicContact CZ2-CB 3.51Å; W233-P296 HydrophobicContact CZ2-CG 4.35Å; W233-F299 HydrophobicContact CB-CB 4.4Å; W233-F299 HydrophobicContact CB-CD2 4.28Å; W233-F299 HydrophobicContact CD2-CB 4.26Å; W233-F299 HydrophobicContact CD2-CG 4.27Å; W233-F299 HydrophobicContact CE3-CB 3.81Å; W233-F299 AromaticContact CE3-CD1 3.51Å; W233-F299 HydrophobicContact CE3-CD1 3.51Å; W233-F299 AromaticContact CE3-CD2 3.66Å; W233-F299 HydrophobicContact CE3-CD2 3.66Å; W233-F299 AromaticContact CE3-CE1 3.88Å; W233-F299 HydrophobicContact CE3-CE1 3.88Å; W233-F299 AromaticContact CE3-CE2 4Å; W233-F299 HydrophobicContact CE3-CE2 4Å; W233-F299 AromaticContact CE3-CG 3.38Å; W233-F299 HydrophobicContact CE3-CG 3.38Å; W233-F299 HydrophobicContact CE3-CZ 4.1Å; W233-F299 HydrophobicContact CZ3-CB 4.45Å; W233-F299 AromaticContact CZ3-CD1 3.48Å; W233-F299 HydrophobicContact CZ3-CD1 3.48Å; W233-F299 VanDerWaalsContact CZ3-CD1 3.48Å; W233-F299 HydrophobicContact CZ3-CD2 4.43Å; W233-F299 AromaticContact CZ3-CE1 3.67Å; W233-F299 HydrophobicContact CZ3-CE1 3.67Å; W233-F299 AromaticContact CZ3-CG 3.89Å; W233-F299 HydrophobicContact CZ3-CG 3.89Å; W233-F299 HydrophobicContact CZ3-CZ 4.21Å
234N97.5Very high93.5Very high81 Ų8134.5 Ų34.543%0.43317%0.172SC..Hα-helixtrans-63-40.7174.7-71.2-8.5000111.5E230 G238E230-N234 WeakPolarHBondContact O-CB 3.44Å; E230-N234 VanDerWaalsContact O-CG 3.23Å; E230-N234 PolarHBondContact O-N 3.03Å; N234-G238 PolarHBondContact O-N 2.83Å
235Y98Very high92.8Very high8 Ų831.8 Ų31.83%0.03116%0.16CC..Hα-helixtrans-61.4-49173-179.3-94.5000111.4W194 R197 Y198 E215 V219 S231 S232 W233 Y237 G238 L239W194-Y235 HydrophobicContact CD2-CG 4.47Å; W194-Y235 AromaticContact CE3-CD1 3.81Å; W194-Y235 HydrophobicContact CE3-CD1 3.81Å; W194-Y235 AromaticContact CE3-CD2 3.74Å; W194-Y235 HydrophobicContact CE3-CD2 3.74Å; W194-Y235 HydrophobicContact CE3-CE1 4.45Å; W194-Y235 HydrophobicContact CE3-CE2 4.4Å; W194-Y235 AromaticContact CE3-CG 3.41Å; W194-Y235 HydrophobicContact CE3-CG 3.41Å; W194-Y235 VanDerWaalsContact CE3-CG 3.41Å; W194-Y235 AromaticContact CZ3-CD1 3.62Å; W194-Y235 HydrophobicContact CZ3-CD1 3.62Å; W194-Y235 HydrophobicContact CZ3-CD2 4.38Å; W194-Y235 HydrophobicContact CZ3-CE1 4.16Å; W194-Y235 AromaticContact CZ3-CG 3.74Å; W194-Y235 HydrophobicContact CZ3-CG 3.74Å; R197-Y235 HydrophobicContact CB-CE2 4.25Å; R197-Y235 HydrophobicContact CG-CE2 4.19Å; Y198-Y235 HydrophobicContact CD2-CD2 4.47Å; Y198-Y235 HydrophobicContact CD2-CE2 4.38Å; E215-Y235 PolarHBondContact OE2-OH 3.31Å; V219-Y235 HydrophobicContact CB-CD1 3.94Å; V219-Y235 HydrophobicContact CB-CE1 4.29Å; V219-Y235 HydrophobicContact CG2-CD1 3.8Å; S231-Y235 WeakPolarHBondContact O-CB 3.39Å; S231-Y235 PolarHBondContact O-N 3.43Å; S232-Y235 PolarHBondContact O-N 3.21Å; W233-Y235 VanDerWaalsContact C-N 3.34Å; W233-Y235 PolarHBondContact O-N 3.41Å; Y235-Y237 PolarHBondContact O-N 3.28Å; Y235-G238 PolarHBondContact O-N 3.01Å; Y235-L239 HydrophobicContact CD1-CD1 4.24Å; Y235-L239 HydrophobicContact CD1-CG 4.41Å; Y235-L239 HydrophobicContact CE1-CD1 3.79Å; Y235-L239 HydrophobicContact CE1-CD2 4.08Å; Y235-L239 HydrophobicContact CE1-CG 4.05Å; Y235-L239 WeakPolarHBondContact O-CG 3.41Å; Y235-L239 PolarHBondContact O-N 3.18Å; Y235-L239 VanDerWaalsContact O-N 3.16Å
236F97.6Very high91.6Very high0 Ų025.2 Ų25.20%014%0.138CC..Hα-helixtrans-56.4-53.8179.3-172.6-162.2000110.2I216 V219 I223 S232 W233 G238 L239 M276 F279 F299I216-F236 HydrophobicContact CB-CE2 4.48Å; I216-F236 HydrophobicContact CD1-CE2 4.47Å; I216-F236 HydrophobicContact CG1-CE2 3.94Å; I216-F236 HydrophobicContact CG2-CE2 4.12Å; I216-F236 HydrophobicContact CG2-CZ 4.39Å; V219-F236 HydrophobicContact CG1-CB 3.81Å; V219-F236 HydrophobicContact CG1-CD1 4.49Å; V219-F236 HydrophobicContact CG1-CD2 3.7Å; V219-F236 HydrophobicContact CG1-CE2 4.41Å; V219-F236 HydrophobicContact CG1-CG 3.75Å; V219-F236 HydrophobicContact CG2-CB 3.96Å; I223-F236 HydrophobicContact CD1-CB 4.35Å; I223-F236 HydrophobicContact CD1-CD1 4.01Å; S232-F236 WeakPolarHBondContact O-CB 3.24Å; S232-F236 PolarHBondContact O-N 2.93Å; W233-F236 HydrophobicContact CE3-CD1 4.42Å; W233-F236 HydrophobicContact CZ3-CD1 4.43Å; W233-F236 PolarHBondContact O-N 3.05Å; F236-G238 VanDerWaalsContact C-N 3.32Å; F236-G238 PolarHBondContact O-N 3.08Å; F236-L239 WeakPolarHBondContact O-CB 2.99Å; F236-L239 PolarHBondContact O-N 2.81Å; F236-M276 HydrophobicContact CD2-CE 3.64Å; F236-M276 HydrophobicContact CD2-CG 4.3Å; F236-M276 HydrophobicContact CE1-CB 4.35Å; F236-M276 HydrophobicContact CE1-CG 3.97Å; F236-M276 HydrophobicContact CE2-CE 3.77Å; F236-M276 HydrophobicContact CE2-CG 3.7Å; F236-M276 HydrophobicContact CG-CE 4.21Å; F236-M276 HydrophobicContact CZ-CB 4.2Å; F236-M276 HydrophobicContact CZ-CE 4.47Å; F236-M276 HydrophobicContact CZ-CG 3.54Å; F236-M276 WeakPolarHBondContact O-CE 3.43Å; F236-F279 HydrophobicContact CD1-CD1 4.43Å; F236-F279 AromaticContact CE1-CD1 3.71Å; F236-F279 HydrophobicContact CE1-CD1 3.71Å; F236-F279 HydrophobicContact CE1-CE1 4.3Å; F236-F279 HydrophobicContact CE1-CG 4.35Å; F236-F299 HydrophobicContact CB-CE2 4.27Å; F236-F299 HydrophobicContact CD1-CE1 4.35Å; F236-F299 AromaticContact CD1-CE2 3.94Å; F236-F299 HydrophobicContact CD1-CE2 3.94Å; F236-F299 AromaticContact CD1-CZ 3.54Å; F236-F299 HydrophobicContact CD1-CZ 3.54Å; F236-F299 HydrophobicContact CE1-CE1 4.44Å; F236-F299 AromaticContact CE1-CZ 3.86Å; F236-F299 HydrophobicContact CE1-CZ 3.86Å; F236-F299 HydrophobicContact CG-CE2 4.27Å; F236-F299 HydrophobicContact CG-CZ 4.2Å
237Y95.3Very high89.6Confident46 Ų4630.3 Ų30.318%0.1816%0.16CC..Hα-helixtrans-55.2-47.7177.6-171.7-113000111.6W233 Y235 L239 L240 M241 F299 E302 V303 D306W233-Y237 WeakPolarHBondContact O-CB 3.4Å; W233-Y237 PolarHBondContact O-N 3.08Å; Y235-Y237 PolarHBondContact O-N 3.28Å; Y237-L239 PolarHBondContact O-N 3.48Å; Y237-L240 PolarHBondContact O-N 2.76Å; Y237-L240 VanDerWaalsContact O-N 3.16Å; Y237-M241 HydrophobicContact CD1-CE 4.45Å; Y237-M241 HydrophobicContact CD1-CG 3.7Å; Y237-M241 HydrophobicContact CD1-SD 4.15Å; Y237-M241 HydrophobicContact CD2-CE 3.77Å; Y237-M241 HydrophobicContact CD2-SD 4.39Å; Y237-M241 HydrophobicContact CE1-CE 4.12Å; Y237-M241 HydrophobicContact CE1-CG 3.48Å; Y237-M241 VanDerWaalsContact CE1-CG 3.48Å; Y237-M241 HydrophobicContact CE1-SD 3.45Å; Y237-M241 WeakPolarHBondContact CE1-SD 3.45Å; Y237-M241 HydrophobicContact CE2-CE 3.35Å; Y237-M241 HydrophobicContact CE2-CG 4.45Å; Y237-M241 HydrophobicContact CE2-SD 3.72Å; Y237-M241 HydrophobicContact CG-CE 4.29Å; Y237-M241 HydrophobicContact CG-CG 4.29Å; Y237-M241 WeakPolarHBondContact O-CG 3.38Å; Y237-M241 PolarHBondContact O-N 2.97Å; Y237-M241 PolarHBondContact OH-SD 3.04Å; Y237-F299 HydrophobicContact CD2-CD2 4.44Å; Y237-F299 HydrophobicContact CD2-CE2 4.2Å; Y237-F299 HydrophobicContact CG-CE2 4.43Å; Y237-E302 HydrophobicContact CE2-CB 3.88Å; Y237-V303 HydrophobicContact CD2-CG2 4.14Å; Y237-V303 HydrophobicContact CE2-CG2 4.32Å; Y237-D306 VanDerWaalsContact CE2-OD2 3.24Å; Y237-D306 WeakPolarHBondContact CE2-OD2 3.31Å; Y237-D306 VanDerWaalsContact CZ-OD2 3.27Å; Y237-D306 PolarHBondContact OH-OD2 3.03Å
238G93.4Very high87.4Confident14 Ų1437.5 Ų37.514%0.14419%0.189CC..Hα-helixtrans-57.5-30.3-178.900000114.6Y198 N234 Y235 F236 L240 P242Y198-G238 WeakPolarHBondContact CE2-O 3.41Å; N234-G238 PolarHBondContact O-N 2.83Å; Y235-G238 PolarHBondContact O-N 3.01Å; F236-G238 VanDerWaalsContact C-N 3.32Å; F236-G238 PolarHBondContact O-N 3.08Å; G238-L240 VanDerWaalsContact C-N 3.27Å; G238-L240 PolarHBondContact O-N 3.41Å; G238-P242 WeakPolarHBondContact O-CD 3.21Å
239L91.7Very high85Confident0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-60.6-34.1178.5-69.7172000113V201 M202 L207 L212 E215 Y235 F236 Y237V201-L239 HydrophobicContact CG1-CD2 4.38Å; M202-L239 HydrophobicContact SD-CD2 4.19Å; L207-L239 WeakPolarHBondContact CD2-O 3.38Å; L212-L239 HydrophobicContact CD1-CB 4.12Å; E215-L239 HydrophobicContact CB-CD1 3.72Å; E215-L239 HydrophobicContact CB-CD2 4.14Å; Y235-L239 HydrophobicContact CD1-CD1 4.24Å; Y235-L239 HydrophobicContact CD1-CG 4.41Å; Y235-L239 HydrophobicContact CE1-CD1 3.79Å; Y235-L239 HydrophobicContact CE1-CD2 4.08Å; Y235-L239 HydrophobicContact CE1-CG 4.05Å; Y235-L239 WeakPolarHBondContact O-CG 3.41Å; Y235-L239 PolarHBondContact O-N 3.18Å; Y235-L239 VanDerWaalsContact O-N 3.16Å; F236-L239 WeakPolarHBondContact O-CB 2.99Å; F236-L239 PolarHBondContact O-N 2.81Å; Y237-L239 PolarHBondContact O-N 3.48Å
240L87.3Confident82.8Confident7 Ų742.3 Ų42.34%0.03721%0.21CC..Hα-helixtrans-96.2-24.1-177.3-68.7-172.8000113.8L212 Y237 G238 I243 V244 G272 M276L212-L240 HydrophobicContact CD1-CD2 3.91Å; L212-L240 HydrophobicContact CD2-CD2 3.83Å; L212-L240 HydrophobicContact CG-CD2 4.49Å; Y237-L240 PolarHBondContact O-N 2.76Å; Y237-L240 VanDerWaalsContact O-N 3.16Å; G238-L240 VanDerWaalsContact C-N 3.27Å; G238-L240 PolarHBondContact O-N 3.41Å; L240-I243 HydrophobicContact CD2-CD1 4.01Å; L240-I243 WeakPolarHBondContact O-CA 3.46Å; L240-I243 VanDerWaalsContact O-CB 3.3Å; L240-I243 WeakPolarHBondContact O-CB 3.23Å; L240-I243 PolarHBondContact O-N 3.34Å; L240-V244 HydrophobicContact CB-CG2 4.18Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.44Å; L240-G272 WeakPolarHBondContact CD1-O 3.41Å; L240-M276 HydrophobicContact CB-CE 3.78Å; L240-M276 HydrophobicContact CB-SD 4.4Å; L240-M276 HydrophobicContact CD1-CE 3.38Å; L240-M276 HydrophobicContact CD1-CG 3.97Å; L240-M276 HydrophobicContact CD1-SD 3.6Å; L240-M276 VanDerWaalsContact CD1-SD 3.6Å; L240-M276 HydrophobicContact CG-CE 3.42Å; L240-M276 VanDerWaalsContact CG-CE 3.42Å; L240-M276 HydrophobicContact CG-SD 4.23Å
241M86.8Confident80.1Confident21 Ų2144.7 Ų44.710%0.10322%0.22CC..Hα-helixtrans-56.1-40.6-174.6-68.1-52.4103.300115Y237 I243 V244 H245 D306Y237-M241 HydrophobicContact CD1-CE 4.45Å; Y237-M241 HydrophobicContact CD1-CG 3.7Å; Y237-M241 HydrophobicContact CD1-SD 4.15Å; Y237-M241 HydrophobicContact CD2-CE 3.77Å; Y237-M241 HydrophobicContact CD2-SD 4.39Å; Y237-M241 HydrophobicContact CE1-CE 4.12Å; Y237-M241 HydrophobicContact CE1-CG 3.48Å; Y237-M241 VanDerWaalsContact CE1-CG 3.48Å; Y237-M241 HydrophobicContact CE1-SD 3.45Å; Y237-M241 WeakPolarHBondContact CE1-SD 3.45Å; Y237-M241 HydrophobicContact CE2-CE 3.35Å; Y237-M241 HydrophobicContact CE2-CG 4.45Å; Y237-M241 HydrophobicContact CE2-SD 3.72Å; Y237-M241 HydrophobicContact CG-CE 4.29Å; Y237-M241 HydrophobicContact CG-CG 4.29Å; Y237-M241 WeakPolarHBondContact O-CG 3.38Å; Y237-M241 PolarHBondContact O-N 2.97Å; Y237-M241 PolarHBondContact OH-SD 3.04Å; M241-I243 PolarHBondContact O-N 3.4Å; M241-I243 VanDerWaalsContact O-N 3.17Å; M241-V244 HydrophobicContact CE-CB 4.37Å; M241-V244 HydrophobicContact CE-CG2 4.09Å; M241-V244 PolarHBondContact O-N 2.97Å; M241-H245 PolarHBondContact O-N 2.98Å; M241-H245 VanDerWaalsContact SD-CE1 3.59Å; M241-D306 WeakPolarHBondContact CE-OD2 3.29Å
242P80.2Confident77.6Confident7 Ų752.1 Ų52.15%0.04526%0.259CS..Hα-helixtrans-54.5-30.2171.1-34.643.3000114.9Y198 M202 G238 G246 I250Y198-P242 WeakPolarHBondContact OH-CG 3.4Å; M202-P242 HydrophobicContact CE-CB 4.11Å; M202-P242 HydrophobicContact CE-CG 3.73Å; G238-P242 WeakPolarHBondContact O-CD 3.21Å; P242-G246 CarbonylContact O-C 3.1Å; P242-G246 WeakPolarHBondContact O-CA 3.28Å; P242-I250 HydrophobicContact CB-CD1 3.81Å; P242-I250 HydrophobicContact CG-CD1 4.27Å
243I82.3Confident75.3Confident8 Ų854 Ų544%0.04127%0.272CS..Hα-helixtrans-85.4-46.4179.8-56.2166.7000109.7L207 L212 L240 M241 L258 L263 I269L207-I243 HydrophobicContact CD2-CD1 3.79Å; L207-I243 HydrophobicContact CD2-CG1 4.45Å; L212-I243 HydrophobicContact CD2-CD1 4.37Å; L240-I243 HydrophobicContact CD2-CD1 4.01Å; L240-I243 WeakPolarHBondContact O-CA 3.46Å; L240-I243 VanDerWaalsContact O-CB 3.3Å; L240-I243 WeakPolarHBondContact O-CB 3.23Å; L240-I243 PolarHBondContact O-N 3.34Å; M241-I243 PolarHBondContact O-N 3.4Å; M241-I243 VanDerWaalsContact O-N 3.17Å; I243-L258 HydrophobicContact CG1-CD1 3.92Å; I243-L258 HydrophobicContact CG1-CD2 3.97Å; I243-L263 HydrophobicContact CD1-CB 4.09Å; I243-L263 HydrophobicContact CD1-CD1 4.22Å; I243-L263 HydrophobicContact CD1-CD2 4.37Å; I243-L263 HydrophobicContact CD1-CG 4.47Å; I243-L263 HydrophobicContact CG1-CB 4.37Å; I243-L263 HydrophobicContact CG2-CB 4.2Å; I243-L263 WeakPolarHBondContact CG2-O 3.34Å; I243-I269 HydrophobicContact CG2-CG1 3.76Å
244V84.1Confident73.2Confident25 Ų2559.6 Ų59.615%0.15231%0.309CS..Hα-helixtrans-70.5-51.9-174.8-1750000112.4L240 M241 I269 L273 D306L240-V244 HydrophobicContact CB-CG2 4.18Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.44Å; M241-V244 HydrophobicContact CE-CB 4.37Å; M241-V244 HydrophobicContact CE-CG2 4.09Å; M241-V244 PolarHBondContact O-N 2.97Å; V244-I269 HydrophobicContact CB-CG2 4.3Å; V244-I269 HydrophobicContact CG1-CG2 4.04Å; V244-I269 HydrophobicContact CG2-CG2 3.93Å; V244-L273 HydrophobicContact CG1-CD1 4.24Å; V244-L273 HydrophobicContact CG2-CD1 4.38Å; V244-L273 HydrophobicContact CG2-CD2 4.18Å; V244-L273 HydrophobicContact CG2-CG 4.24Å; V244-D306 HydrophobicContact CG1-CB 4.36Å
245H80.7Confident71.2Confident64 Ų6457 Ų5730%0.29630%0.296SS..SBendtrans-92.6-2.5-177-59.1162.1000112.9M241 H249 D306M241-H245 PolarHBondContact O-N 2.98Å; M241-H245 VanDerWaalsContact SD-CE1 3.59Å; H245-H249 AromaticContact ND1-NE2 3.85Å; H245-D306 IonicContact CD2-OD1 3.92Å; H245-D306 IonicContact CE1-OD1 3.31Å; H245-D306 PolarHBondContact CE1-OD1 2.87Å; H245-D306 IonicContact NE2-OD1 3.63Å; H245-D306 PolarHBondContact NE2-OD1 3.17Å; H245-D306 IonicContact NE2-OD2 2.73Å
246G69.1Low69.4Low25 Ų2562.5 Ų62.526%0.25832%0.32SS..G310 helixtrans66.9-174.2-177.300000113.8P242 K248P242-G246 CarbonylContact O-C 3.1Å; P242-G246 WeakPolarHBondContact O-CA 3.28Å; G246-K248 PolarHBondContact O-N 3.42Å
247K54.2Low67.4Low110 Ų11066.6 Ų66.648%0.47835%0.347SS..G310 helixtrans-66.9-1.1-173.3-65.8-171.8179-176.80115.4H249 I250 H251K247-H249 PolarHBondContact O-N 3.42Å; K247-H249 VanDerWaalsContact O-N 3.12Å; K247-I250 PolarHBondContact O-N 3.34Å; K247-H251 PolarHBondContact O-N 3.25Å
248K50.3Low65.8Low173 Ų17365.5 Ų65.575%0.75234%0.344SS*.G310 helixtrans-59.9-25178.5-73.8-173.3179.5178.20112.3G246G246-K248 PolarHBondContact O-N 3.42Å
249H47.8Very low64.2Low143 Ų14368.4 Ų68.466%0.66237%0.367SS*.G310 helixtrans-84.3-5.9173.9-72.5-75.9000115.2H245 K247H245-H249 AromaticContact ND1-NE2 3.85Å; K247-H249 PolarHBondContact O-N 3.42Å; K247-H249 VanDerWaalsContact O-N 3.12Å
250I50.9Low62.8Low47 Ų4770.2 Ų70.224%0.24138%0.377CS..  trans-115.54.5-171.7-46.8175.9000110.7P242 K247 N252 S253P242-I250 HydrophobicContact CB-CD1 3.81Å; P242-I250 HydrophobicContact CG-CD1 4.27Å; K247-I250 PolarHBondContact O-N 3.34Å; I250-N252 PolarHBondContact O-N 2.92Å; I250-S253 PolarHBondContact O-N 2.93Å
251H40.9Very low61.8Low143 Ų14378 Ų7866%0.66241%0.413SS*.THydrogen-bonded Turntrans-58.2108.7177.4-78-64.1000109.9K247K247-H251 PolarHBondContact O-N 3.25Å
252N46.2Very low61Low170 Ų17082 Ų8291%0.90944%0.435SS*.THydrogen-bonded Turntrans96.13.7-175-54-21.1000117.6I250I250-N252 PolarHBondContact O-N 2.92Å
253S50.1Low60.5Low41 Ų4182.1 Ų82.129%0.28744%0.435SS..  trans-84.1134.3173.1-1590000111.5I250 C255I250-S253 PolarHBondContact O-N 2.93Å; S253-C255 PolarHBondContact O-N 3.17Å; S253-C255 VanDerWaalsContact O-N 3.09Å; S253-C255 PolarHBondContact OG-SG 3.13Å
254P53.3Low60.1Low119 Ų11985.1 Ų85.177%0.77345%0.451SS*.  trans-69.10.9174.228.8-34.2000113.5K256P254-K256 PolarHBondContact O-N 3.38Å
255C55.9Low60Low25 Ų2587.1 Ų87.117%0.16946%0.461CS..PPolyproline II helixtrans-60.4131.9-179.4-50.70000110.6C203 S253C203-C255 HydrophobicContact CB-CB 3.61Å; C203-C255 WeakPolarHBondContact CB-SG 3.42Å; C203-C255 WeakPolarHBondContact SG-CB 3.17Å; C203-C255 CovalentContact SG-SG 2.03Å; C203-C255 PolarHBondContact SG-SG 3.01Å; S253-C255 PolarHBondContact O-N 3.17Å; S253-C255 VanDerWaalsContact O-N 3.09Å; S253-C255 PolarHBondContact OG-SG 3.13Å
256K58.6Low60Low124 Ų12488.3 Ų88.354%0.53947%0.465SS..PPolyproline II helixtrans-53.2145.4178.7-68.3171.9-176.31670109.5D204 P254 L258D204-K256 PolarHBondContact O-NZ 3.35Å; P254-K256 PolarHBondContact O-N 3.38Å; K256-L258 PolarHBondContact O-N 2.67Å
257P56.8Low60.8Low86 Ų8691.5 Ų91.556%0.55847%0.473SS*.PPolyproline II helixtrans-46.6143164.8-24.133.4000109.6A259P257-A259 PolarHBondContact O-N 2.89Å
258L61.2Low62.2Low23 Ų2389.1 Ų89.112%0.1247%0.466CS..  trans-42.4118.5170.4-74.9163.7000108.6L207 I243 K256 D260 L263 N264L207-L258 HydrophobicContact CB-CD2 4.03Å; L207-L258 HydrophobicContact CD2-CD2 4.12Å; I243-L258 HydrophobicContact CG1-CD1 3.92Å; I243-L258 HydrophobicContact CG1-CD2 3.97Å; K256-L258 PolarHBondContact O-N 2.67Å; L258-D260 PolarHBondContact O-N 3.44Å; L258-L263 HydrophobicContact CD2-CD1 4.5Å; L258-N264 WeakPolarHBondContact CD1-OD1 3.45Å
259A59.1Low63.9Low76 Ų7682 Ų8263%0.62844%0.436SS*.SBendtrans-61.4-29.8-172.900000110.6P257P257-A259 PolarHBondContact O-N 2.89Å
260D63.7Low65.8Low38 Ų3876.1 Ų76.120%0.20341%0.409CS..  trans-111.6107.1177.1-168.5-5.9000110.7S209 L258 N262 L263S209-D260 PolarHBondContact OG-OD2 3.46Å; L258-D260 PolarHBondContact O-N 3.44Å; D260-N262 PolarHBondContact O-N 3.48Å; D260-N262 WeakPolarHBondContact OD1-CB 3.37Å; D260-N262 PolarHBondContact OD1-N 3.48Å; D260-N262 PolarHBondContact OD1-ND2 2.88Å; D260-L263 HydrophobicContact CB-CD1 4.06Å; D260-L263 HydrophobicContact CB-CG 4.18Å; D260-L263 PolarHBondContact O-N 3.41Å
261Q66.3Low67.6Low169 Ų16975.7 Ų75.779%0.7941%0.41SS*.G310 helixtrans-64.1-20174.9-68.2-171.8-100112.4L263 N264Q261-L263 PolarHBondContact O-N 3.04Å; Q261-N264 PolarHBondContact O-N 3.21Å
262N68.9Low69.9Low105 Ų10569.3 Ų69.356%0.56138%0.383SS*.G310 helixtrans-66.1-28179.4-62-53.2000111.9D260 N264 N265 N268D260-N262 PolarHBondContact O-N 3.48Å; D260-N262 WeakPolarHBondContact OD1-CB 3.37Å; D260-N262 PolarHBondContact OD1-N 3.48Å; D260-N262 PolarHBondContact OD1-ND2 2.88Å; N262-N264 PolarHBondContact O-N 2.94Å; N262-N265 WeakPolarHBondContact O-CB 3.48Å; N262-N265 PolarHBondContact O-N 3.14Å; N262-N265 VanDerWaalsContact O-N 3.08Å; N262-N268 PolarHBondContact O-ND2 3.32Å
263L70.8Confident72.2Confident10 Ų1061.2 Ų61.25%0.05234%0.34CS..G310 helixtrans-57.5-32.1178.5-73.4168.7000112.1L207 L212 I243 L258 D260 Q261 N265 N268L207-L263 WeakPolarHBondContact O-CD1 3.43Å; L212-L263 HydrophobicContact CD2-CD2 3.99Å; I243-L263 HydrophobicContact CD1-CB 4.09Å; I243-L263 HydrophobicContact CD1-CD1 4.22Å; I243-L263 HydrophobicContact CD1-CD2 4.37Å; I243-L263 HydrophobicContact CD1-CG 4.47Å; I243-L263 HydrophobicContact CG1-CB 4.37Å; I243-L263 HydrophobicContact CG2-CB 4.2Å; I243-L263 WeakPolarHBondContact CG2-O 3.34Å; L258-L263 HydrophobicContact CD2-CD1 4.5Å; D260-L263 HydrophobicContact CB-CD1 4.06Å; D260-L263 HydrophobicContact CB-CG 4.18Å; D260-L263 PolarHBondContact O-N 3.41Å; Q261-L263 PolarHBondContact O-N 3.04Å; L263-N265 PolarHBondContact O-N 3.32Å; L263-N268 WeakPolarHBondContact O-CB 3.37Å
264N73.6Confident74.2Confident72 Ų7260.3 Ų60.339%0.38533%0.331SS..G310 helixtrans-781.8-178.6-66.1-22.7000114.3L258 Q261 N262L258-N264 WeakPolarHBondContact CD1-OD1 3.45Å; Q261-N264 PolarHBondContact O-N 3.21Å; N262-N264 PolarHBondContact O-N 2.94Å
265N81.5Confident76.1Confident67 Ų6757.6 Ų57.636%0.35831%0.309SS..SBendtrans-72.2146.5175.6102.234.4000109.7N262 L263 Q267 N268 I269N262-N265 WeakPolarHBondContact O-CB 3.48Å; N262-N265 PolarHBondContact O-N 3.14Å; N262-N265 VanDerWaalsContact O-N 3.08Å; L263-N265 PolarHBondContact O-N 3.32Å; N265-Q267 VanDerWaalsContact C-N 3.27Å; N265-Q267 PolarHBondContact O-N 3.43Å; N265-Q267 VanDerWaalsContact OD1-CA 3.25Å; N265-Q267 WeakPolarHBondContact OD1-CA 3.35Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.25Å; N265-Q267 PolarHBondContact OD1-N 3.02Å; N265-N268 PolarHBondContact ND2-ND2 3.01Å; N265-N268 VanDerWaalsContact ND2-ND2 3.19Å; N265-N268 PolarHBondContact O-N 2.67Å; N265-N268 VanDerWaalsContact O-N 3.1Å; N265-N268 PolarHBondContact OD1-N 3.02Å; N265-I269 PolarHBondContact O-N 3.49Å
266K81.5Confident77.9Confident89 Ų8956.5 Ų56.539%0.38730%0.302SS..Hα-helixtrans-54.7-40.3-178.1-178.4172.3177.9163.50113I269 I270 S310 Y311 T313K266-I269 PolarHBondContact O-N 3.01Å; K266-I270 HydrophobicContact CG-CD1 3.87Å; K266-I270 WeakPolarHBondContact O-CB 3.49Å; K266-I270 VanDerWaalsContact O-CG1 3.26Å; K266-I270 WeakPolarHBondContact O-CG1 3.41Å; K266-I270 PolarHBondContact O-N 2.92Å; K266-S310 WeakPolarHBondContact CE-O 3.43Å; K266-S310 PolarHBondContact NZ-O 3.26Å; K266-Y311 PolarHBondContact NZ-O 3.33Å; K266-T313 PolarHBondContact NZ-O 3.11Å
267Q84.6Confident79.7Confident91 Ų9151.2 Ų51.243%0.42528%0.278SS..Hα-helixtrans-65-40.7178.7-171.562.231.400112.2N265 I270 S271N265-Q267 VanDerWaalsContact C-N 3.27Å; N265-Q267 PolarHBondContact O-N 3.43Å; N265-Q267 VanDerWaalsContact OD1-CA 3.25Å; N265-Q267 WeakPolarHBondContact OD1-CA 3.35Å; N265-Q267 WeakPolarHBondContact OD1-CB 3.25Å; N265-Q267 PolarHBondContact OD1-N 3.02Å; Q267-I270 PolarHBondContact O-N 2.82Å; Q267-S271 VanDerWaalsContact O-CB 3.31Å; Q267-S271 WeakPolarHBondContact O-CB 3.47Å; Q267-S271 PolarHBondContact O-N 3.43Å
268N84.7Confident81.5Confident61 Ų6152.7 Ų52.733%0.32628%0.276SS..Hα-helixtrans-70.8-38.3178.7-74.6-11.6000111.7N262 L263 N265 S271 G272N262-N268 PolarHBondContact O-ND2 3.32Å; L263-N268 WeakPolarHBondContact O-CB 3.37Å; N265-N268 PolarHBondContact ND2-ND2 3.01Å; N265-N268 VanDerWaalsContact ND2-ND2 3.19Å; N265-N268 PolarHBondContact O-N 2.67Å; N265-N268 VanDerWaalsContact O-N 3.1Å; N265-N268 PolarHBondContact OD1-N 3.02Å; N268-S271 PolarHBondContact O-N 3.17Å; N268-G272 PolarHBondContact O-N 3.06Å
269I85.9Confident83.2Confident24 Ų2452.3 Ų52.312%0.12327%0.273CS..Hα-helixtrans-58-53.2170.8-71.3162.9000110.4I243 V244 N265 K266 S271 G272 L273I243-I269 HydrophobicContact CG2-CG1 3.76Å; V244-I269 HydrophobicContact CB-CG2 4.3Å; V244-I269 HydrophobicContact CG1-CG2 4.04Å; V244-I269 HydrophobicContact CG2-CG2 3.93Å; N265-I269 PolarHBondContact O-N 3.49Å; K266-I269 PolarHBondContact O-N 3.01Å; I269-S271 VanDerWaalsContact C-N 3.31Å; I269-S271 PolarHBondContact O-N 2.93Å; I269-G272 PolarHBondContact O-N 3.3Å; I269-L273 HydrophobicContact CG2-CD1 3.97Å; I269-L273 WeakPolarHBondContact O-CG 3.24Å; I269-L273 PolarHBondContact O-N 2.98Å
270I87.6Confident85Confident19 Ų1948.7 Ų48.710%0.09724%0.243CC..Hα-helixtrans-59.1-44.8179.3-70.7169.4000110.3K266 Q267 G272 L273 Q274 Y311K266-I270 HydrophobicContact CG-CD1 3.87Å; K266-I270 WeakPolarHBondContact O-CB 3.49Å; K266-I270 VanDerWaalsContact O-CG1 3.26Å; K266-I270 WeakPolarHBondContact O-CG1 3.41Å; K266-I270 PolarHBondContact O-N 2.92Å; Q267-I270 PolarHBondContact O-N 2.82Å; I270-G272 PolarHBondContact O-N 3.4Å; I270-L273 PolarHBondContact O-N 3.04Å; I270-Q274 HydrophobicContact CG2-CG 4.29Å; I270-Q274 WeakPolarHBondContact O-CB 3.41Å; I270-Q274 VanDerWaalsContact O-CG 3.23Å; I270-Q274 WeakPolarHBondContact O-CG 3.47Å; I270-Q274 PolarHBondContact O-N 3.14Å; I270-Y311 HydrophobicContact CD1-CD1 4.36Å; I270-Y311 HydrophobicContact CD1-CE1 4.44Å; I270-Y311 HydrophobicContact CG2-CE1 4.17Å
271S88.6Confident86.6Confident38 Ų3849.4 Ų49.427%0.26625%0.246SC..Hα-helixtrans-61-42.6177.9-170.80000112.3Q267 N268 I269 Q274 I275Q267-S271 VanDerWaalsContact O-CB 3.31Å; Q267-S271 WeakPolarHBondContact O-CB 3.47Å; Q267-S271 PolarHBondContact O-N 3.43Å; N268-S271 PolarHBondContact O-N 3.17Å; I269-S271 VanDerWaalsContact C-N 3.31Å; I269-S271 PolarHBondContact O-N 2.93Å; S271-Q274 PolarHBondContact O-N 3.23Å; S271-I275 WeakPolarHBondContact O-CG1 3.24Å; S271-I275 PolarHBondContact O-N 3.29Å
272G90Very high88Confident8 Ų846.4 Ų46.48%0.08223%0.232CC..Hα-helixtrans-64-45.2177.600000112.4L240 N268 I269 I270 Q274 I275 M276L240-G272 WeakPolarHBondContact CD1-O 3.41Å; N268-G272 PolarHBondContact O-N 3.06Å; I269-G272 PolarHBondContact O-N 3.3Å; I270-G272 PolarHBondContact O-N 3.4Å; G272-Q274 VanDerWaalsContact C-N 3.32Å; G272-Q274 PolarHBondContact O-N 3.37Å; G272-I275 WeakPolarHBondContact O-CB 3.45Å; G272-I275 PolarHBondContact O-N 2.84Å; G272-M276 PolarHBondContact O-N 3.15Å; G272-M276 VanDerWaalsContact O-N 3.12Å
273L92.9Very high89.3Confident1 Ų141.7 Ų41.71%0.00521%0.206CC..Hα-helixtrans-64-37.9176-70170.8000112V244 I269 I270 I275 M276 R277 D306 S310V244-L273 HydrophobicContact CG1-CD1 4.24Å; V244-L273 HydrophobicContact CG2-CD1 4.38Å; V244-L273 HydrophobicContact CG2-CD2 4.18Å; V244-L273 HydrophobicContact CG2-CG 4.24Å; I269-L273 HydrophobicContact CG2-CD1 3.97Å; I269-L273 WeakPolarHBondContact O-CG 3.24Å; I269-L273 PolarHBondContact O-N 2.98Å; I270-L273 PolarHBondContact O-N 3.04Å; L273-I275 VanDerWaalsContact C-N 3.35Å; L273-I275 PolarHBondContact O-N 3.43Å; L273-M276 PolarHBondContact O-N 3.37Å; L273-R277 VanDerWaalsContact O-CB 3.32Å; L273-R277 WeakPolarHBondContact O-CB 3.26Å; L273-R277 PolarHBondContact O-N 3.06Å; L273-D306 HydrophobicContact CD1-CB 3.95Å; L273-D306 HydrophobicContact CD2-CB 3.69Å; L273-D306 HydrophobicContact CG-CB 4.49Å; L273-S310 WeakPolarHBondContact CD1-OG 3.48Å
274Q92.4Very high90.5Very high21 Ų2142.9 Ų42.910%0.09821%0.213CC..Hα-helixtrans-63.5-38.8174.5-76.4174-10.600112.1I270 S271 G272 K278 Y311I270-Q274 HydrophobicContact CG2-CG 4.29Å; I270-Q274 WeakPolarHBondContact O-CB 3.41Å; I270-Q274 VanDerWaalsContact O-CG 3.23Å; I270-Q274 WeakPolarHBondContact O-CG 3.47Å; I270-Q274 PolarHBondContact O-N 3.14Å; S271-Q274 PolarHBondContact O-N 3.23Å; G272-Q274 VanDerWaalsContact C-N 3.32Å; G272-Q274 PolarHBondContact O-N 3.37Å; Q274-K278 WeakPolarHBondContact O-CB 3.47Å; Q274-K278 PolarHBondContact O-N 2.68Å; Q274-Y311 PolarHBondContact NE2-OH 2.86Å
275I92.6Very high91.6Very high63 Ų6343.8 Ų43.832%0.32323%0.23SC..Hα-helixtrans-61-48.1174.2-70.1163.4000110.5I216 S271 G272 L273 F279I216-I275 HydrophobicContact CD1-CG2 4.46Å; I216-I275 HydrophobicContact CG2-CG2 4.27Å; S271-I275 WeakPolarHBondContact O-CG1 3.24Å; S271-I275 PolarHBondContact O-N 3.29Å; G272-I275 WeakPolarHBondContact O-CB 3.45Å; G272-I275 PolarHBondContact O-N 2.84Å; L273-I275 VanDerWaalsContact C-N 3.35Å; L273-I275 PolarHBondContact O-N 3.43Å; I275-F279 VanDerWaalsContact O-CB 3.27Å; I275-F279 WeakPolarHBondContact O-CB 3.37Å; I275-F279 PolarHBondContact O-N 3.1Å
276M95.4Very high92.2Very high1 Ų145.1 Ų45.11%0.00524%0.244CC..Hα-helixtrans-59.3-50.5177.4-75.9-173.7169.200112.4F236 L240 G272 L273 F279 A280 F299 V303F236-M276 HydrophobicContact CD2-CE 3.64Å; F236-M276 HydrophobicContact CD2-CG 4.3Å; F236-M276 HydrophobicContact CE1-CB 4.35Å; F236-M276 HydrophobicContact CE1-CG 3.97Å; F236-M276 HydrophobicContact CE2-CE 3.77Å; F236-M276 HydrophobicContact CE2-CG 3.7Å; F236-M276 HydrophobicContact CG-CE 4.21Å; F236-M276 HydrophobicContact CZ-CB 4.2Å; F236-M276 HydrophobicContact CZ-CE 4.47Å; F236-M276 HydrophobicContact CZ-CG 3.54Å; F236-M276 WeakPolarHBondContact O-CE 3.43Å; L240-M276 HydrophobicContact CB-CE 3.78Å; L240-M276 HydrophobicContact CB-SD 4.4Å; L240-M276 HydrophobicContact CD1-CE 3.38Å; L240-M276 HydrophobicContact CD1-CG 3.97Å; L240-M276 HydrophobicContact CD1-SD 3.6Å; L240-M276 VanDerWaalsContact CD1-SD 3.6Å; L240-M276 HydrophobicContact CG-CE 3.42Å; L240-M276 VanDerWaalsContact CG-CE 3.42Å; L240-M276 HydrophobicContact CG-SD 4.23Å; G272-M276 PolarHBondContact O-N 3.15Å; G272-M276 VanDerWaalsContact O-N 3.12Å; L273-M276 PolarHBondContact O-N 3.37Å; M276-F279 PolarHBondContact O-N 3.36Å; M276-A280 PolarHBondContact O-N 2.87Å; M276-A280 VanDerWaalsContact O-N 3.09Å; M276-F299 HydrophobicContact CB-CE1 4.08Å; M276-F299 HydrophobicContact CB-CZ 3.76Å; M276-F299 HydrophobicContact CG-CZ 3.89Å; M276-F299 HydrophobicContact SD-CE2 4.35Å; M276-F299 HydrophobicContact SD-CZ 3.93Å; M276-V303 HydrophobicContact CB-CG1 4.02Å; M276-V303 HydrophobicContact CB-CG2 3.99Å; M276-V303 HydrophobicContact SD-CG2 4.15Å
277R95.6Very high92.8Very high14 Ų1443.4 Ų43.45%0.05324%0.24CC..Hα-helixtrans-60.3-54.3-177.8-175.7-172.364.7173.93.4110.8L273 F279 A280 E281 L300 V303 Y304 S341L273-R277 VanDerWaalsContact O-CB 3.32Å; L273-R277 WeakPolarHBondContact O-CB 3.26Å; L273-R277 PolarHBondContact O-N 3.06Å; R277-F279 VanDerWaalsContact C-N 3.31Å; R277-F279 PolarHBondContact O-N 2.94Å; R277-A280 PolarHBondContact O-N 3.13Å; R277-A280 VanDerWaalsContact O-N 3.17Å; R277-E281 HydrophobicContact CG-CG 4.32Å; R277-E281 WeakPolarHBondContact CG-OE1 3.3Å; R277-E281 IonicContact NE-OE2 2.86Å; R277-E281 WeakPolarHBondContact O-CB 3.47Å; R277-E281 WeakPolarHBondContact O-CG 3.3Å; R277-E281 PolarHBondContact O-N 2.88Å; R277-L300 HydrophobicContact CG-CD1 4.03Å; R277-V303 HydrophobicContact CB-CG1 3.72Å; R277-Y304 HydrophobicContact CG-CD1 4.06Å; R277-Y304 HydrophobicContact CG-CE1 3.66Å; R277-S341 VanDerWaalsContact CZ-OG 3.26Å; R277-S341 VanDerWaalsContact NH1-CB 3.34Å; R277-S341 PolarHBondContact NH1-OG 2.89Å; R277-S341 VanDerWaalsContact NH1-OG 3.1Å; R277-S341 PolarHBondContact NH2-OG 3.42Å
278K95.5Very high93.2Very high116 Ų11646.8 Ų46.850%0.50426%0.255SS..Hα-helixtrans-59.3-44.3-177.6-178.4176.4175.1179.30111.1Q274 A280 E281 E282Q274-K278 WeakPolarHBondContact O-CB 3.47Å; Q274-K278 PolarHBondContact O-N 2.68Å; K278-A280 PolarHBondContact O-N 3.36Å; K278-E281 PolarHBondContact O-N 3.44Å; K278-E282 WeakPolarHBondContact CE-OE1 3.22Å; K278-E282 HydrophobicContact CG-CG 4.22Å; K278-E282 IonicContact NZ-OE1 2.88Å; K278-E282 VanDerWaalsContact O-CB 3.3Å; K278-E282 WeakPolarHBondContact O-CB 3.26Å; K278-E282 VanDerWaalsContact O-CG 3.26Å; K278-E282 WeakPolarHBondContact O-CG 3.35Å; K278-E282 PolarHBondContact O-N 3.23Å
279F96.8Very high93.5Very high15 Ų1549.8 Ų49.87%0.06627%0.27CS..Hα-helixtrans-58.4-47.6176.5172.9-99.5000112.3Q220 I223 F224 W233 F236 I275 M276 R277 L283Q220-F279 HydrophobicContact CB-CD2 4.37Å; Q220-F279 HydrophobicContact CB-CE2 3.69Å; Q220-F279 HydrophobicContact CB-CZ 3.8Å; Q220-F279 HydrophobicContact CG-CD1 4.25Å; Q220-F279 HydrophobicContact CG-CD2 3.75Å; Q220-F279 HydrophobicContact CG-CE1 4.03Å; Q220-F279 HydrophobicContact CG-CE2 3.52Å; Q220-F279 HydrophobicContact CG-CG 4.11Å; Q220-F279 HydrophobicContact CG-CZ 3.67Å; Q220-F279 VanDerWaalsContact NE2-CD2 3.29Å; I223-F279 HydrophobicContact CB-CE1 4.26Å; I223-F279 HydrophobicContact CB-CZ 4.16Å; I223-F279 HydrophobicContact CD1-CE1 3.88Å; I223-F279 HydrophobicContact CD1-CZ 4.48Å; I223-F279 HydrophobicContact CG2-CE1 3.84Å; I223-F279 HydrophobicContact CG2-CZ 3.89Å; F224-F279 HydrophobicContact CD2-CE2 4.31Å; F224-F279 AromaticContact CE2-CE2 3.59Å; F224-F279 HydrophobicContact CE2-CE2 3.59Å; F224-F279 HydrophobicContact CE2-CZ 4.21Å; F224-F279 AromaticContact CZ-CE2 3.73Å; F224-F279 HydrophobicContact CZ-CE2 3.73Å; F224-F279 HydrophobicContact CZ-CZ 4.41Å; W233-F279 HydrophobicContact CH2-CD1 4.09Å; W233-F279 AromaticContact CH2-CE1 3.74Å; W233-F279 HydrophobicContact CH2-CE1 3.74Å; W233-F279 HydrophobicContact CZ3-CD1 4.13Å; W233-F279 HydrophobicContact CZ3-CE1 4.03Å; F236-F279 HydrophobicContact CD1-CD1 4.43Å; F236-F279 AromaticContact CE1-CD1 3.71Å; F236-F279 HydrophobicContact CE1-CD1 3.71Å; F236-F279 HydrophobicContact CE1-CE1 4.3Å; F236-F279 HydrophobicContact CE1-CG 4.35Å; I275-F279 VanDerWaalsContact O-CB 3.27Å; I275-F279 WeakPolarHBondContact O-CB 3.37Å; I275-F279 PolarHBondContact O-N 3.1Å; M276-F279 PolarHBondContact O-N 3.36Å; R277-F279 VanDerWaalsContact C-N 3.31Å; R277-F279 PolarHBondContact O-N 2.94Å; F279-L283 HydrophobicContact CE1-CD2 4.49Å; F279-L283 HydrophobicContact CZ-CD2 4.48Å; F279-L283 WeakPolarHBondContact O-CB 3.2Å; F279-L283 PolarHBondContact O-N 3.41Å
280A97Very high93.9Very high0 Ų048.7 Ų48.70%026%0.264CS..Hα-helixtrans-65.8-44.6179.400000112.2W233 M276 R277 K278 L283 I284 F299 L300W233-A280 HydrophobicContact CH2-CB 4.11Å; W233-A280 HydrophobicContact CZ3-CB 4.02Å; M276-A280 PolarHBondContact O-N 2.87Å; M276-A280 VanDerWaalsContact O-N 3.09Å; R277-A280 PolarHBondContact O-N 3.13Å; R277-A280 VanDerWaalsContact O-N 3.17Å; K278-A280 PolarHBondContact O-N 3.36Å; A280-L283 PolarHBondContact O-N 2.95Å; A280-I284 WeakPolarHBondContact O-CB 3.39Å; A280-I284 WeakPolarHBondContact O-CD1 3.35Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.21Å; A280-I284 PolarHBondContact O-N 3.4Å; A280-F299 HydrophobicContact CB-CD1 3.98Å; A280-F299 HydrophobicContact CB-CE1 4.02Å; A280-L300 HydrophobicContact CB-CD1 4.13Å
281E96.4Very high94.3Very high53 Ų5348.1 Ų48.125%0.24826%0.263CS..Hα-helixtrans-60.8-46.6177.2-72.7171.5162.300112R277 K278 I284 A285 L300 Y304R277-E281 HydrophobicContact CG-CG 4.32Å; R277-E281 WeakPolarHBondContact CG-OE1 3.3Å; R277-E281 IonicContact NE-OE2 2.86Å; R277-E281 WeakPolarHBondContact O-CB 3.47Å; R277-E281 WeakPolarHBondContact O-CG 3.3Å; R277-E281 PolarHBondContact O-N 2.88Å; K278-E281 PolarHBondContact O-N 3.44Å; E281-I284 PolarHBondContact O-N 3.42Å; E281-A285 VanDerWaalsContact O-CB 3.24Å; E281-A285 WeakPolarHBondContact O-CB 3.44Å; E281-A285 PolarHBondContact O-N 2.84Å; E281-L300 HydrophobicContact CG-CD1 4.04Å; E281-L300 HydrophobicContact CG-CD2 4.15Å; E281-Y304 VanDerWaalsContact OE1-CE1 3.24Å; E281-Y304 WeakPolarHBondContact OE1-CE1 3.45Å; E281-Y304 PolarHBondContact OE1-OH 3.44Å
282E96.4Very high94.5Very high107 Ų10750.9 Ų50.950%0.528%0.275SS..Hα-helixtrans-64.4-41.1178.5-74176.8166.400111.8K278 A285 S286K278-E282 WeakPolarHBondContact CE-OE1 3.22Å; K278-E282 HydrophobicContact CG-CG 4.22Å; K278-E282 IonicContact NZ-OE1 2.88Å; K278-E282 VanDerWaalsContact O-CB 3.3Å; K278-E282 WeakPolarHBondContact O-CB 3.26Å; K278-E282 VanDerWaalsContact O-CG 3.26Å; K278-E282 WeakPolarHBondContact O-CG 3.35Å; K278-E282 PolarHBondContact O-N 3.23Å; E282-A285 PolarHBondContact O-N 3.23Å; E282-S286 VanDerWaalsContact O-CB 3.3Å; E282-S286 WeakPolarHBondContact O-CB 3.48Å; E282-S286 PolarHBondContact O-N 3.18Å; E282-S286 PolarHBondContact O-OG 3.04Å
283L96.3Very high94.8Very high5 Ų551.1 Ų51.13%0.02628%0.275CS..Hα-helixtrans-64.3-48.7176.4178.564000111.4I223 F224 W233 F279 A280 A285 S286 D287 A290I223-L283 HydrophobicContact CG2-CD2 3.67Å; F224-L283 HydrophobicContact CD1-CD1 3.79Å; F224-L283 HydrophobicContact CE1-CD1 3.69Å; W233-L283 HydrophobicContact CH2-CD2 3.96Å; W233-L283 HydrophobicContact CZ2-CD2 3.73Å; F279-L283 HydrophobicContact CE1-CD2 4.49Å; F279-L283 HydrophobicContact CZ-CD2 4.48Å; F279-L283 WeakPolarHBondContact O-CB 3.2Å; F279-L283 PolarHBondContact O-N 3.41Å; A280-L283 PolarHBondContact O-N 2.95Å; L283-A285 VanDerWaalsContact C-N 3.28Å; L283-A285 PolarHBondContact O-N 3.33Å; L283-S286 PolarHBondContact O-N 3.48Å; L283-S286 PolarHBondContact O-OG 3.4Å; L283-D287 HydrophobicContact CD1-CB 4.37Å; L283-D287 PolarHBondContact O-N 3Å; L283-A290 HydrophobicContact CD1-CB 4.2Å; L283-A290 HydrophobicContact CD2-CB 4.31Å; L283-A290 HydrophobicContact CG-CB 3.86Å
284I95.7Very high95Very high36 Ų3653.1 Ų53.119%0.18529%0.286CS..Hα-helixtrans-60.6-38.8178.4-73.3161.9000111.3A280 E281 P296 L297 L300A280-I284 WeakPolarHBondContact O-CB 3.39Å; A280-I284 WeakPolarHBondContact O-CD1 3.35Å; A280-I284 VanDerWaalsContact O-CG1 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.21Å; A280-I284 PolarHBondContact O-N 3.4Å; E281-I284 PolarHBondContact O-N 3.42Å; I284-P296 HydrophobicContact CD1-CB 4.13Å; I284-P296 HydrophobicContact CG1-CB 4.11Å; I284-L297 HydrophobicContact CD1-CD2 3.86Å; I284-L297 HydrophobicContact CG1-CD2 4.38Å; I284-L300 HydrophobicContact CD1-CD2 3.77Å
285A95.3Very high95.3Very high90 Ų9052.2 Ų52.274%0.74428%0.282SS*.Hα-helixtrans-74.4-30.9-179.600000113.2E281 E282 L283E281-A285 VanDerWaalsContact O-CB 3.24Å; E281-A285 WeakPolarHBondContact O-CB 3.44Å; E281-A285 PolarHBondContact O-N 2.84Å; E282-A285 PolarHBondContact O-N 3.23Å; L283-A285 VanDerWaalsContact C-N 3.28Å; L283-A285 PolarHBondContact O-N 3.33Å
286S95.5Very high95.5Very high95 Ų9549.2 Ų49.266%0.66427%0.267SS*.Hα-helixtrans-94.1-23.5-176.558.20000114.4E282 L283E282-S286 VanDerWaalsContact O-CB 3.3Å; E282-S286 WeakPolarHBondContact O-CB 3.48Å; E282-S286 PolarHBondContact O-N 3.18Å; E282-S286 PolarHBondContact O-OG 3.04Å; L283-S286 PolarHBondContact O-N 3.48Å; L283-S286 PolarHBondContact O-OG 3.4Å
287D93.9Very high95.6Very high54 Ų5449.3 Ų49.329%0.28927%0.267SS..  trans-124.7108.1178.7-177.8-10.6000110.5L283 I289 A290 G291L283-D287 HydrophobicContact CD1-CB 4.37Å; L283-D287 PolarHBondContact O-N 3Å; D287-I289 PolarHBondContact O-N 2.66Å; D287-I289 WeakPolarHBondContact OD1-CA 3.36Å; D287-I289 WeakPolarHBondContact OD1-CB 3.36Å; D287-I289 PolarHBondContact OD1-N 2.92Å; D287-A290 HydrophobicContact CB-CB 3.89Å; D287-A290 PolarHBondContact O-N 3.46Å; D287-A290 VanDerWaalsContact O-N 3.16Å; D287-A290 PolarHBondContact OD1-N 3.47Å; D287-G291 PolarHBondContact O-N 2.82Å
288Q92.6Very high95.7Very high162 Ų16249.5 Ų49.576%0.75727%0.271SS*.Hα-helixtrans-59.3-34.9179.6-173.4176.2600112.5G291 D292Q288-G291 PolarHBondContact O-N 2.94Å; Q288-D292 PolarHBondContact O-N 2.87Å
289I91.8Very high95.8Very high124 Ų12444.4 Ų44.464%0.63625%0.248SC*.Hα-helixtrans-65.4-48.6178.1-60.7175.5000108.9D287 G291 D292 C293D287-I289 PolarHBondContact O-N 2.66Å; D287-I289 WeakPolarHBondContact OD1-CA 3.36Å; D287-I289 WeakPolarHBondContact OD1-CB 3.36Å; D287-I289 PolarHBondContact OD1-N 2.92Å; I289-G291 PolarHBondContact O-N 3.41Å; I289-D292 PolarHBondContact O-N 3.37Å; I289-D292 VanDerWaalsContact O-N 3.15Å; I289-C293 PolarHBondContact O-N 3.08Å; I289-C293 PolarHBondContact O-SG 3.08Å
290A94.3Very high95.8Very high0 Ų044.1 Ų44.10%025%0.247CC..Hα-helixtrans-59.8-37.7175.600000111.7P227 L283 D287 D292 C293 P296P227-A290 HydrophobicContact CB-CB 3.76Å; P227-A290 HydrophobicContact CG-CB 4.35Å; L283-A290 HydrophobicContact CD1-CB 4.2Å; L283-A290 HydrophobicContact CD2-CB 4.31Å; L283-A290 HydrophobicContact CG-CB 3.86Å; D287-A290 HydrophobicContact CB-CB 3.89Å; D287-A290 PolarHBondContact O-N 3.46Å; D287-A290 VanDerWaalsContact O-N 3.16Å; D287-A290 PolarHBondContact OD1-N 3.47Å; A290-D292 PolarHBondContact O-N 3.1Å; A290-C293 WeakPolarHBondContact O-CB 3.47Å; A290-C293 PolarHBondContact O-N 3.17Å; A290-C293 VanDerWaalsContact O-N 3.07Å; A290-P296 WeakPolarHBondContact O-CG 3.42Å
291G94.3Very high95.8Very high7 Ų744.1 Ų44.17%0.07225%0.247CC..Hα-helixtrans-64.8-17.7177.500000115.6D287 Q288 I289 R356D287-G291 PolarHBondContact O-N 2.82Å; Q288-G291 PolarHBondContact O-N 2.94Å; I289-G291 PolarHBondContact O-N 3.41Å; G291-R356 PolarHBondContact O-NH1 3.3Å; G291-R356 PolarHBondContact O-NH2 3.28Å
292D94.8Very high95.8Very high97 Ų9743.1 Ų43.152%0.51924%0.243SC..Hα-helixtrans-104.8-3.8173.6-71.7-32.7000113.1Q288 I289 A290 R356Q288-D292 PolarHBondContact O-N 2.87Å; I289-D292 PolarHBondContact O-N 3.37Å; I289-D292 VanDerWaalsContact O-N 3.15Å; A290-D292 PolarHBondContact O-N 3.1Å; D292-R356 IonicContact OD1-NH2 3.11Å; D292-R356 PolarHBondContact OD1-NH2 3.41Å
293C96Very high95.8Very high13 Ų1338 Ų389%0.08822%0.219CC..  trans-75.9142.9178.7-73.90000111.5N228 I289 A290 P296 L297N228-C293 HydrophobicContact CB-CB 3.93Å; N228-C293 VanDerWaalsContact CB-SG 3.51Å; N228-C293 VanDerWaalsContact OD1-CB 3.3Å; N228-C293 WeakPolarHBondContact OD1-CB 3.3Å; I289-C293 PolarHBondContact O-N 3.08Å; I289-C293 PolarHBondContact O-SG 3.08Å; A290-C293 WeakPolarHBondContact O-CB 3.47Å; A290-C293 PolarHBondContact O-N 3.17Å; A290-C293 VanDerWaalsContact O-N 3.07Å; C293-P296 HydrophobicContact CB-CG 3.66Å; C293-P296 WeakPolarHBondContact O-CD 3.44Å; C293-P296 WeakPolarHBondContact O-CG 3.49Å; C293-L297 WeakPolarHBondContact O-CD1 3.19Å; C293-L297 WeakPolarHBondContact O-CG 3.41Å
294L96.9Very high95.8Very high43 Ų4338.2 Ų38.223%0.22522%0.219CC..Hα-helixtrans-65.2-49.5-178.9173.850.8000111.8N228 L297 S298 L357 V361 D362N228-L294 PolarHBondContact OD1-N 2.9Å; L294-L297 PolarHBondContact O-N 2.78Å; L294-S298 PolarHBondContact O-N 2.87Å; L294-S298 PolarHBondContact O-OG 3.15Å; L294-L357 HydrophobicContact CD1-CD2 3.73Å; L294-V361 HydrophobicContact CB-CG1 4.26Å; L294-V361 HydrophobicContact CD1-CG1 4.31Å; L294-D362 HydrophobicContact CD1-CB 3.61Å; L294-D362 WeakPolarHBondContact CD1-OD2 3.21Å
295A97.4Very high95.7Very high2 Ų236.5 Ų36.52%0.01721%0.211CC..Hα-helixtrans-57.4-50.7-171.900000114.6E230 W233 L297 S298 F299E230-A295 HydrophobicContact CB-CB 4.45Å; W233-A295 HydrophobicContact CG-CB 4.04Å; A295-L297 PolarHBondContact O-N 2.6Å; A295-S298 PolarHBondContact O-N 2.9Å; A295-S298 PolarHBondContact O-OG 2.61Å; A295-F299 VanDerWaalsContact O-CB 3.24Å; A295-F299 WeakPolarHBondContact O-CB 3.44Å; A295-F299 PolarHBondContact O-N 2.99Å
296P97.7Very high95.6Very high0 Ų032.4 Ų32.40%018%0.176CC..Hα-helixtrans-63.5-40.1177.621-31.1000112.5P227 W233 I284 A290 C293 F299 L300P227-P296 WeakPolarHBondContact O-CD 3.4Å; W233-P296 HydrophobicContact CH2-CB 3.95Å; W233-P296 HydrophobicContact CZ2-CB 3.51Å; W233-P296 HydrophobicContact CZ2-CG 4.35Å; I284-P296 HydrophobicContact CD1-CB 4.13Å; I284-P296 HydrophobicContact CG1-CB 4.11Å; A290-P296 WeakPolarHBondContact O-CG 3.42Å; C293-P296 HydrophobicContact CB-CG 3.66Å; C293-P296 WeakPolarHBondContact O-CD 3.44Å; C293-P296 WeakPolarHBondContact O-CG 3.49Å; P296-F299 PolarHBondContact O-N 3.01Å; P296-L300 VanDerWaalsContact O-CB 3.29Å; P296-L300 WeakPolarHBondContact O-CB 3.31Å; P296-L300 PolarHBondContact O-N 3.19Å
297L97.8Very high95.5Very high2 Ų228 Ų281%0.0115%0.146CC..Hα-helixtrans-66.7-44.6180-62.8179.6000111.4I284 C293 L294 A295 L300 V301 L353 L357 V361I284-L297 HydrophobicContact CD1-CD2 3.86Å; I284-L297 HydrophobicContact CG1-CD2 4.38Å; C293-L297 WeakPolarHBondContact O-CD1 3.19Å; C293-L297 WeakPolarHBondContact O-CG 3.41Å; L294-L297 PolarHBondContact O-N 2.78Å; A295-L297 PolarHBondContact O-N 2.6Å; L297-L300 PolarHBondContact O-N 2.75Å; L297-V301 PolarHBondContact O-N 3.11Å; L297-L353 HydrophobicContact CB-CD1 4Å; L297-L353 HydrophobicContact CD1-CD1 4.49Å; L297-L353 HydrophobicContact CD2-CD1 3.73Å; L297-L353 HydrophobicContact CG-CD1 4.25Å; L297-L353 VanDerWaalsContact O-CD2 3.3Å; L297-L353 WeakPolarHBondContact O-CD2 3.38Å; L297-L357 HydrophobicContact CB-CD2 3.88Å; L297-L357 HydrophobicContact CB-CG 4.39Å; L297-V361 HydrophobicContact CD1-CG1 4.23Å; L297-V361 HydrophobicContact CD1-CG2 3.92Å
298S97.3Very high95.4Very high19 Ų1925.5 Ų25.513%0.13313%0.132CC..Hα-helixtrans-64.6-41.7175.453.10000112.3L294 A295 L300 V301 E302 W369L294-S298 PolarHBondContact O-N 2.87Å; L294-S298 PolarHBondContact O-OG 3.15Å; A295-S298 PolarHBondContact O-N 2.9Å; A295-S298 PolarHBondContact O-OG 2.61Å; S298-L300 VanDerWaalsContact C-N 3.33Å; S298-L300 PolarHBondContact O-N 2.97Å; S298-V301 PolarHBondContact O-N 2.88Å; S298-E302 PolarHBondContact O-N 2.87Å; S298-W369 VanDerWaalsContact CB-CH2 3.46Å
299F97.8Very high95.4Very high9 Ų921.4 Ų21.44%0.03911%0.113CC..Hα-helixtrans-59.3-45.2176.9171.1-90.8000111.5W233 F236 Y237 M276 A280 A295 P296 V301 E302 V303W233-F299 HydrophobicContact CB-CB 4.4Å; W233-F299 HydrophobicContact CB-CD2 4.28Å; W233-F299 HydrophobicContact CD2-CB 4.26Å; W233-F299 HydrophobicContact CD2-CG 4.27Å; W233-F299 HydrophobicContact CE3-CB 3.81Å; W233-F299 AromaticContact CE3-CD1 3.51Å; W233-F299 HydrophobicContact CE3-CD1 3.51Å; W233-F299 AromaticContact CE3-CD2 3.66Å; W233-F299 HydrophobicContact CE3-CD2 3.66Å; W233-F299 AromaticContact CE3-CE1 3.88Å; W233-F299 HydrophobicContact CE3-CE1 3.88Å; W233-F299 AromaticContact CE3-CE2 4Å; W233-F299 HydrophobicContact CE3-CE2 4Å; W233-F299 AromaticContact CE3-CG 3.38Å; W233-F299 HydrophobicContact CE3-CG 3.38Å; W233-F299 HydrophobicContact CE3-CZ 4.1Å; W233-F299 HydrophobicContact CZ3-CB 4.45Å; W233-F299 AromaticContact CZ3-CD1 3.48Å; W233-F299 HydrophobicContact CZ3-CD1 3.48Å; W233-F299 VanDerWaalsContact CZ3-CD1 3.48Å; W233-F299 HydrophobicContact CZ3-CD2 4.43Å; W233-F299 AromaticContact CZ3-CE1 3.67Å; W233-F299 HydrophobicContact CZ3-CE1 3.67Å; W233-F299 AromaticContact CZ3-CG 3.89Å; W233-F299 HydrophobicContact CZ3-CG 3.89Å; W233-F299 HydrophobicContact CZ3-CZ 4.21Å; F236-F299 HydrophobicContact CB-CE2 4.27Å; F236-F299 HydrophobicContact CD1-CE1 4.35Å; F236-F299 AromaticContact CD1-CE2 3.94Å; F236-F299 HydrophobicContact CD1-CE2 3.94Å; F236-F299 AromaticContact CD1-CZ 3.54Å; F236-F299 HydrophobicContact CD1-CZ 3.54Å; F236-F299 HydrophobicContact CE1-CE1 4.44Å; F236-F299 AromaticContact CE1-CZ 3.86Å; F236-F299 HydrophobicContact CE1-CZ 3.86Å; F236-F299 HydrophobicContact CG-CE2 4.27Å; F236-F299 HydrophobicContact CG-CZ 4.2Å; Y237-F299 HydrophobicContact CD2-CD2 4.44Å; Y237-F299 HydrophobicContact CD2-CE2 4.2Å; Y237-F299 HydrophobicContact CG-CE2 4.43Å; M276-F299 HydrophobicContact CB-CE1 4.08Å; M276-F299 HydrophobicContact CB-CZ 3.76Å; M276-F299 HydrophobicContact CG-CZ 3.89Å; M276-F299 HydrophobicContact SD-CE2 4.35Å; M276-F299 HydrophobicContact SD-CZ 3.93Å; A280-F299 HydrophobicContact CB-CD1 3.98Å; A280-F299 HydrophobicContact CB-CE1 4.02Å; A295-F299 VanDerWaalsContact O-CB 3.24Å; A295-F299 WeakPolarHBondContact O-CB 3.44Å; A295-F299 PolarHBondContact O-N 2.99Å; P296-F299 PolarHBondContact O-N 3.01Å; F299-V301 VanDerWaalsContact C-N 3.33Å; F299-V301 PolarHBondContact O-N 3.24Å; F299-E302 PolarHBondContact O-N 3.15Å; F299-E302 VanDerWaalsContact O-N 3.14Å; F299-V303 HydrophobicContact CD1-CG2 3.96Å; F299-V303 HydrophobicContact CD2-CG2 4.46Å; F299-V303 HydrophobicContact CE1-CG2 3.55Å; F299-V303 HydrophobicContact CE2-CG2 4.11Å; F299-V303 HydrophobicContact CG-CG2 4.41Å; F299-V303 HydrophobicContact CZ-CG2 3.64Å; F299-V303 WeakPolarHBondContact O-CG2 3.31Å; F299-V303 PolarHBondContact O-N 3.13Å
300L97.2Very high95.2Very high8 Ų816.1 Ų16.14%0.0429%0.087CC..Hα-helixtrans-64.6-36.1-177-174.658.9000112.3R277 A280 E281 I284 P296 L297 S298 E302 V303 Y304 L353R277-L300 HydrophobicContact CG-CD1 4.03Å; A280-L300 HydrophobicContact CB-CD1 4.13Å; E281-L300 HydrophobicContact CG-CD1 4.04Å; E281-L300 HydrophobicContact CG-CD2 4.15Å; I284-L300 HydrophobicContact CD1-CD2 3.77Å; P296-L300 VanDerWaalsContact O-CB 3.29Å; P296-L300 WeakPolarHBondContact O-CB 3.31Å; P296-L300 PolarHBondContact O-N 3.19Å; L297-L300 PolarHBondContact O-N 2.75Å; S298-L300 VanDerWaalsContact C-N 3.33Å; S298-L300 PolarHBondContact O-N 2.97Å; L300-E302 VanDerWaalsContact C-N 3.34Å; L300-E302 PolarHBondContact O-N 3.02Å; L300-V303 PolarHBondContact O-N 3.16Å; L300-Y304 HydrophobicContact CD1-CD1 4.16Å; L300-Y304 HydrophobicContact CD1-CD2 4.39Å; L300-Y304 HydrophobicContact CD1-CE1 3.67Å; L300-Y304 HydrophobicContact CD1-CE2 3.93Å; L300-Y304 HydrophobicContact CD2-CE2 3.86Å; L300-Y304 WeakPolarHBondContact CD2-OH 3.45Å; L300-Y304 HydrophobicContact CG-CD2 3.98Å; L300-Y304 HydrophobicContact CG-CE1 4.15Å; L300-Y304 HydrophobicContact CG-CE2 3.43Å; L300-Y304 VanDerWaalsContact CG-CE2 3.43Å; L300-Y304 WeakPolarHBondContact O-CB 3.45Å; L300-Y304 WeakPolarHBondContact O-CD2 3.48Å; L300-Y304 PolarHBondContact O-N 3.36Å; L300-L353 HydrophobicContact CB-CD2 3.95Å; L300-L353 HydrophobicContact CD2-CD2 3.99Å; L300-L353 HydrophobicContact CG-CD2 4.06Å
301V97.4Very high94.8Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-58.1-46.2172172.80000111.6L297 S298 F299 Y304 A305 L353 C354 L357 W369 R372L297-V301 PolarHBondContact O-N 3.11Å; S298-V301 PolarHBondContact O-N 2.88Å; F299-V301 VanDerWaalsContact C-N 3.33Å; F299-V301 PolarHBondContact O-N 3.24Å; V301-Y304 PolarHBondContact O-N 3.46Å; V301-A305 PolarHBondContact O-N 3.05Å; V301-L353 HydrophobicContact CG2-CB 3.96Å; V301-L353 HydrophobicContact CG2-CD2 3.67Å; V301-L353 HydrophobicContact CG2-CG 3.61Å; V301-C354 VanDerWaalsContact CG1-SG 3.53Å; V301-L357 HydrophobicContact CG2-CD1 3.68Å; V301-W369 HydrophobicContact CB-CZ3 4.05Å; V301-W369 HydrophobicContact CG1-CE3 4.49Å; V301-W369 HydrophobicContact CG1-CZ3 3.95Å; V301-W369 HydrophobicContact CG2-CZ3 4.15Å; V301-R372 HydrophobicContact CG1-CG 3.93Å
302E95.8Very high94.5Very high32 Ų3221.6 Ų21.615%0.1511%0.108CC..Hα-helixtrans-68.1-42-178.5-57.9-53.5156.900111.4Y237 S298 F299 L300 Y304 A305 D306 Y368 R372Y237-E302 HydrophobicContact CE2-CB 3.88Å; S298-E302 PolarHBondContact O-N 2.87Å; F299-E302 PolarHBondContact O-N 3.15Å; F299-E302 VanDerWaalsContact O-N 3.14Å; L300-E302 VanDerWaalsContact C-N 3.34Å; L300-E302 PolarHBondContact O-N 3.02Å; E302-Y304 VanDerWaalsContact C-N 3.33Å; E302-Y304 PolarHBondContact O-N 2.91Å; E302-A305 WeakPolarHBondContact O-CB 3.43Å; E302-A305 PolarHBondContact O-N 2.96Å; E302-D306 PolarHBondContact O-N 3.29Å; E302-Y368 PolarHBondContact OE1-OH 3.4Å; E302-R372 IonicContact OE1-NE 3.97Å; E302-R372 IonicContact OE2-CZ 3.99Å; E302-R372 VanDerWaalsContact OE2-CZ 3.27Å; E302-R372 IonicContact OE2-NE 3.45Å; E302-R372 PolarHBondContact OE2-NE 2.76Å; E302-R372 VanDerWaalsContact OE2-NE 3.11Å; E302-R372 IonicContact OE2-NH2 2.76Å; E302-R372 PolarHBondContact OE2-NH2 3Å
303V95.9Very high93.7Very high0 Ų020.9 Ų20.90%011%0.107CC..Hα-helixtrans-63.5-37.5175.2175.50000112Y237 M276 R277 F299 L300 D306 C307Y237-V303 HydrophobicContact CD2-CG2 4.14Å; Y237-V303 HydrophobicContact CE2-CG2 4.32Å; M276-V303 HydrophobicContact CB-CG1 4.02Å; M276-V303 HydrophobicContact CB-CG2 3.99Å; M276-V303 HydrophobicContact SD-CG2 4.15Å; R277-V303 HydrophobicContact CB-CG1 3.72Å; F299-V303 HydrophobicContact CD1-CG2 3.96Å; F299-V303 HydrophobicContact CD2-CG2 4.46Å; F299-V303 HydrophobicContact CE1-CG2 3.55Å; F299-V303 HydrophobicContact CE2-CG2 4.11Å; F299-V303 HydrophobicContact CG-CG2 4.41Å; F299-V303 HydrophobicContact CZ-CG2 3.64Å; F299-V303 WeakPolarHBondContact O-CG2 3.31Å; F299-V303 PolarHBondContact O-N 3.13Å; L300-V303 PolarHBondContact O-N 3.16Å; V303-D306 PolarHBondContact O-N 2.93Å; V303-C307 WeakPolarHBondContact O-CB 3.44Å; V303-C307 PolarHBondContact O-N 3.22Å; V303-C307 PolarHBondContact O-SG 3Å
304Y95.9Very high92.2Very high9 Ų927.3 Ų27.34%0.03514%0.136CC..Hα-helixtrans-64.1-42.3174-71.5-34.4000112.2R277 E281 L300 V301 E302 C307 L308 I346 Q349 A350 L353R277-Y304 HydrophobicContact CG-CD1 4.06Å; R277-Y304 HydrophobicContact CG-CE1 3.66Å; E281-Y304 VanDerWaalsContact OE1-CE1 3.24Å; E281-Y304 WeakPolarHBondContact OE1-CE1 3.45Å; E281-Y304 PolarHBondContact OE1-OH 3.44Å; L300-Y304 HydrophobicContact CD1-CD1 4.16Å; L300-Y304 HydrophobicContact CD1-CD2 4.39Å; L300-Y304 HydrophobicContact CD1-CE1 3.67Å; L300-Y304 HydrophobicContact CD1-CE2 3.93Å; L300-Y304 HydrophobicContact CD2-CE2 3.86Å; L300-Y304 WeakPolarHBondContact CD2-OH 3.45Å; L300-Y304 HydrophobicContact CG-CD2 3.98Å; L300-Y304 HydrophobicContact CG-CE1 4.15Å; L300-Y304 HydrophobicContact CG-CE2 3.43Å; L300-Y304 VanDerWaalsContact CG-CE2 3.43Å; L300-Y304 WeakPolarHBondContact O-CB 3.45Å; L300-Y304 WeakPolarHBondContact O-CD2 3.48Å; L300-Y304 PolarHBondContact O-N 3.36Å; V301-Y304 PolarHBondContact O-N 3.46Å; E302-Y304 VanDerWaalsContact C-N 3.33Å; E302-Y304 PolarHBondContact O-N 2.91Å; Y304-C307 WeakPolarHBondContact O-CB 3.5Å; Y304-C307 PolarHBondContact O-N 2.97Å; Y304-L308 VanDerWaalsContact O-CG 3.29Å; Y304-L308 WeakPolarHBondContact O-CG 3.31Å; Y304-L308 PolarHBondContact O-N 3.35Å; Y304-I346 HydrophobicContact CD1-CG2 3.65Å; Y304-I346 HydrophobicContact CE1-CG2 4.44Å; Y304-I346 HydrophobicContact CG-CG2 4.01Å; Y304-Q349 HydrophobicContact CD2-CB 4.42Å; Y304-Q349 HydrophobicContact CE2-CB 3.7Å; Y304-Q349 PolarHBondContact OH-OE1 3.45Å; Y304-A350 HydrophobicContact CD2-CB 3.74Å; Y304-A350 HydrophobicContact CG-CB 4.09Å; Y304-L353 HydrophobicContact CE2-CD2 4.38Å
305A94.6Very high90.1Very high1 Ų133.6 Ų33.61%0.00816%0.161CC..Hα-helixtrans-60.2-46.9176.500000111.3V301 E302 C307 L308 E309 L376V301-A305 PolarHBondContact O-N 3.05Å; E302-A305 WeakPolarHBondContact O-CB 3.43Å; E302-A305 PolarHBondContact O-N 2.96Å; A305-C307 PolarHBondContact O-N 2.7Å; A305-L308 WeakPolarHBondContact O-CB 3.29Å; A305-L308 PolarHBondContact O-N 2.73Å; A305-E309 WeakPolarHBondContact O-CG 3.26Å; A305-E309 PolarHBondContact O-N 3.34Å; A305-L376 HydrophobicContact CB-CD2 3.89Å
306D93.7Very high87.2Confident3 Ų340.1 Ų40.12%0.01620%0.204CC..Hα-helixtrans-66.9-35.6178.4-70.7-35.1000112.8Y237 M241 V244 H245 L273 E302 V303 S310Y237-D306 VanDerWaalsContact CE2-OD2 3.24Å; Y237-D306 WeakPolarHBondContact CE2-OD2 3.31Å; Y237-D306 VanDerWaalsContact CZ-OD2 3.27Å; Y237-D306 PolarHBondContact OH-OD2 3.03Å; M241-D306 WeakPolarHBondContact CE-OD2 3.29Å; V244-D306 HydrophobicContact CG1-CB 4.36Å; H245-D306 IonicContact CD2-OD1 3.92Å; H245-D306 IonicContact CE1-OD1 3.31Å; H245-D306 PolarHBondContact CE1-OD1 2.87Å; H245-D306 IonicContact NE2-OD1 3.63Å; H245-D306 PolarHBondContact NE2-OD1 3.17Å; H245-D306 IonicContact NE2-OD2 2.73Å; L273-D306 HydrophobicContact CD1-CB 3.95Å; L273-D306 HydrophobicContact CD2-CB 3.69Å; L273-D306 HydrophobicContact CG-CB 4.49Å; E302-D306 PolarHBondContact O-N 3.29Å; V303-D306 PolarHBondContact O-N 2.93Å; D306-S310 WeakPolarHBondContact O-CB 3.49Å; D306-S310 PolarHBondContact O-N 3.18Å; D306-S310 PolarHBondContact O-OG 3.36Å
307C92.7Very high84.3Confident3 Ų343.6 Ų43.62%0.0224%0.24CC..Hα-helixtrans-56.6-53.6170.8-77.90000110.3V303 Y304 A305 S310 Y311 I346V303-C307 WeakPolarHBondContact O-CB 3.44Å; V303-C307 PolarHBondContact O-N 3.22Å; V303-C307 PolarHBondContact O-SG 3Å; Y304-C307 WeakPolarHBondContact O-CB 3.5Å; Y304-C307 PolarHBondContact O-N 2.97Å; A305-C307 PolarHBondContact O-N 2.7Å; C307-S310 PolarHBondContact O-N 3.05Å; C307-Y311 HydrophobicContact CB-CE2 4.06Å; C307-Y311 WeakPolarHBondContact O-CD2 3.46Å; C307-Y311 PolarHBondContact O-N 2.79Å; C307-I346 HydrophobicContact CB-CD1 4.4Å; C307-I346 HydrophobicContact CB-CG2 4.32Å
308L92.5Very high81.2Confident1 Ų147 Ų471%0.00526%0.263CS..Hα-helixtrans-58.4-50.5-179.7-70.2167.9000111.2Y304 A305 S310 Y311 F312 P343 I346 F347 L376 F379 L385Y304-L308 VanDerWaalsContact O-CG 3.29Å; Y304-L308 WeakPolarHBondContact O-CG 3.31Å; Y304-L308 PolarHBondContact O-N 3.35Å; A305-L308 WeakPolarHBondContact O-CB 3.29Å; A305-L308 PolarHBondContact O-N 2.73Å; L308-S310 VanDerWaalsContact C-N 3.3Å; L308-S310 PolarHBondContact O-N 3.03Å; L308-Y311 PolarHBondContact O-N 2.89Å; L308-F312 VanDerWaalsContact O-CD2 3.22Å; L308-F312 WeakPolarHBondContact O-CD2 3.46Å; L308-F312 PolarHBondContact O-N 3.12Å; L308-P343 HydrophobicContact CD2-CB 4.28Å; L308-P343 VanDerWaalsContact CD2-O 3.25Å; L308-P343 WeakPolarHBondContact CD2-O 3.11Å; L308-I346 HydrophobicContact CD1-CG2 4.35Å; L308-I346 HydrophobicContact CD2-CB 4.18Å; L308-I346 HydrophobicContact CD2-CG2 4.07Å; L308-I346 HydrophobicContact CG-CG2 3.88Å; L308-F347 HydrophobicContact CD1-CB 4.07Å; L308-F347 HydrophobicContact CD1-CD2 4.48Å; L308-F347 HydrophobicContact CD2-CB 4.1Å; L308-L376 HydrophobicContact CD1-CD2 3.98Å; L308-F379 HydrophobicContact CB-CD1 4.39Å; L308-F379 HydrophobicContact CB-CE1 3.86Å; L308-L385 HydrophobicContact CD2-CD2 4.08Å
309E91Very high77.8Confident77 Ų7752.9 Ų52.936%0.3630%0.299SS..Hα-helixtrans-58.7-42.7177.5-71.5-173.8-170.400111.9A305 Y311 F312 T313 F379A305-E309 WeakPolarHBondContact O-CG 3.26Å; A305-E309 PolarHBondContact O-N 3.34Å; E309-Y311 PolarHBondContact O-N 3.46Å; E309-F312 PolarHBondContact O-N 2.97Å; E309-T313 WeakPolarHBondContact O-CB 3.39Å; E309-T313 PolarHBondContact O-N 3.28Å; E309-T313 PolarHBondContact O-OG1 3.49Å; E309-F379 HydrophobicContact CG-CD2 4.32Å; E309-F379 HydrophobicContact CG-CE2 3.87Å; E309-F379 HydrophobicContact CG-CZ 4.1Å
310S88.2Confident74.6Confident12 Ų1258.5 Ų58.58%0.08434%0.338CS..Hα-helixtrans-65.3-36.1179.4-63.50000112.9K266 L273 D306 C307 L308K266-S310 WeakPolarHBondContact CE-O 3.43Å; K266-S310 PolarHBondContact NZ-O 3.26Å; L273-S310 WeakPolarHBondContact CD1-OG 3.48Å; D306-S310 WeakPolarHBondContact O-CB 3.49Å; D306-S310 PolarHBondContact O-N 3.18Å; D306-S310 PolarHBondContact O-OG 3.36Å; C307-S310 PolarHBondContact O-N 3.05Å; L308-S310 VanDerWaalsContact C-N 3.3Å; L308-S310 PolarHBondContact O-N 3.03Å
311Y86.9Confident71.5Confident47 Ų4766.8 Ų66.818%0.18438%0.376CS..Hα-helixtrans-62.9-46.4176.1-71.7-56.7000111.7K266 I270 Q274 C307 L308 E309 P343 I346K266-Y311 PolarHBondContact NZ-O 3.33Å; I270-Y311 HydrophobicContact CD1-CD1 4.36Å; I270-Y311 HydrophobicContact CD1-CE1 4.44Å; I270-Y311 HydrophobicContact CG2-CE1 4.17Å; Q274-Y311 PolarHBondContact NE2-OH 2.86Å; C307-Y311 HydrophobicContact CB-CE2 4.06Å; C307-Y311 WeakPolarHBondContact O-CD2 3.46Å; C307-Y311 PolarHBondContact O-N 2.79Å; L308-Y311 PolarHBondContact O-N 2.89Å; E309-Y311 PolarHBondContact O-N 3.46Å; Y311-P343 HydrophobicContact CD2-CG 4.35Å; Y311-P343 HydrophobicContact CG-CG 4.45Å; Y311-I346 HydrophobicContact CD2-CD1 4.34Å; Y311-I346 HydrophobicContact CE2-CD1 3.5Å
312F87Confident68.4Low75 Ų7572.6 Ų72.633%0.32941%0.412SS..Hα-helixtrans-92-5.3-173.9-63.6-78.4000115.2L308 E309 E314 P343 F379 V383 L385L308-F312 VanDerWaalsContact O-CD2 3.22Å; L308-F312 WeakPolarHBondContact O-CD2 3.46Å; L308-F312 PolarHBondContact O-N 3.12Å; E309-F312 PolarHBondContact O-N 2.97Å; F312-E314 PolarHBondContact O-N 3.23Å; F312-P343 HydrophobicContact CE2-CB 4.01Å; F312-P343 HydrophobicContact CZ-CB 4.06Å; F312-F379 HydrophobicContact CB-CZ 4.09Å; F312-F379 AromaticContact CD2-CE1 3.86Å; F312-F379 HydrophobicContact CD2-CE1 3.86Å; F312-F379 AromaticContact CD2-CZ 3.95Å; F312-F379 HydrophobicContact CD2-CZ 3.95Å; F312-F379 HydrophobicContact CE2-CE1 4.47Å; F312-F379 HydrophobicContact CG-CZ 4.39Å; F312-V383 HydrophobicContact CB-CB 4.33Å; F312-V383 HydrophobicContact CB-CG1 3.86Å; F312-V383 HydrophobicContact CD1-CB 3.75Å; F312-V383 HydrophobicContact CD1-CG1 4.23Å; F312-V383 HydrophobicContact CD1-CG2 4.07Å; F312-V383 HydrophobicContact CD2-CB 4.2Å; F312-V383 HydrophobicContact CD2-CG1 4.34Å; F312-V383 HydrophobicContact CD2-CG2 3.81Å; F312-V383 HydrophobicContact CE1-CB 4.06Å; F312-V383 HydrophobicContact CE1-CG2 4.03Å; F312-V383 HydrophobicContact CE2-CG2 3.8Å; F312-V383 HydrophobicContact CG-CB 3.84Å; F312-V383 HydrophobicContact CG-CG1 3.9Å; F312-V383 HydrophobicContact CG-CG2 3.97Å; F312-V383 HydrophobicContact CZ-CB 4.45Å; F312-V383 HydrophobicContact CZ-CG2 3.92Å; F312-L385 HydrophobicContact CE2-CD2 4.43Å; F312-L385 HydrophobicContact CZ-CD1 4.26Å
313T78.7Confident65.5Low82 Ų8279.9 Ų79.950%0.50345%0.446SS..  trans-73.1112.9174.9-61.20000110.3K266 E309K266-T313 PolarHBondContact NZ-O 3.11Å; E309-T313 WeakPolarHBondContact O-CB 3.39Å; E309-T313 PolarHBondContact O-N 3.28Å; E309-T313 PolarHBondContact O-OG1 3.49Å
314E63.1Low62.4Low149 Ų14985.2 Ų85.270%0.69648%0.483SS*.  trans-82.8147.2166.2-66.9-173.117900110.3F312 S318F312-E314 PolarHBondContact O-N 3.23Å; E314-S318 PolarHBondContact OE2-OG 2.88Å
315K52.8Low59.4Low174 Ų17489.3 Ų89.376%0.75751%0.513SS*.  trans-59.7136.1177.5-80.5-174.6177.8178.90109.4G317 S318K315-G317 PolarHBondContact O-N 2.82Å; K315-S318 PolarHBondContact O-N 3.08Å
316P36.7Very low56.5Low139 Ų13997.3 Ų97.390%0.90356%0.555SS**THydrogen-bonded Turntrans-61107.2167.9-2.412.2000108.4
317G37.1Very low53.6Low74 Ų74103.5 Ų103.576%0.76359%0.588SS**THydrogen-bonded Turntrans137.6-6.1-179.100000116.3K315 T319K315-G317 PolarHBondContact O-N 2.82Å; G317-T319 PolarHBondContact O-N 2.65Å; G317-T319 VanDerWaalsContact O-N 3.14Å
318S33.1Very low50.7Low72 Ų72108.5 Ų108.550%0.50363%0.629SS.*  trans-79.788.4167.350.70000110.5E314 K315 C320E314-S318 PolarHBondContact OE2-OG 2.88Å; K315-S318 PolarHBondContact O-N 3.08Å; S318-C320 PolarHBondContact O-N 3.41Å
319T26.8Very low47.9Very low144 Ų144114.9 Ų114.988%0.88367%0.668SS**  trans-70.5108158.146.60000107.7G317G317-T319 PolarHBondContact O-N 2.65Å; G317-T319 VanDerWaalsContact O-N 3.14Å
320C29.9Very low44.9Very low126 Ų126114.4 Ų114.485%0.85168%0.684SS**  trans-134.1128.6156.9-150.80000109.6S318S318-C320 PolarHBondContact O-N 3.41Å
321E32.8Very low42.2Very low183 Ų183121 Ų12186%0.85572%0.717SS**  trans-62.2152.4-175.9-65169.4151.900111.4H323E321-H323 PolarHBondContact O-N 3.25Å
322T30.6Very low39.4Very low122 Ų122125.7 Ų125.775%0.74875%0.751SS**  trans-37.5122.3168.147.30000112.9
323H34.7Very low37Very low184 Ų184125.6 Ų125.685%0.85275%0.753SS**  trans-160.2129.9137.6-92.7-60.4000111.3E321 S325E321-H323 PolarHBondContact O-N 3.25Å; H323-S325 PolarHBondContact O-N 3.48Å
324S31.2Very low34.8Very low113 Ų113129.6 Ų129.679%0.7977%0.771SS**  trans-53.6108.9168.952.30000112.6
325S34.3Very low33.4Very low94 Ų94129 Ų12966%0.65777%0.773SS**  trans172.6102.2141.256.30000108.1H323 N327H323-S325 PolarHBondContact O-N 3.48Å; S325-N327 PolarHBondContact O-N 3.46Å
326L32Very low32.4Very low169 Ų169125.6 Ų125.689%0.88577%0.771SS**  trans-75.874.5166.5-87.1153.3000108.2
327N33.9Very low32.5Very low134 Ų134126.9 Ų126.972%0.71777%0.77SS**  trans-82.9130.4154.4-88.1-18.5000107.1S325 V329S325-N327 PolarHBondContact O-N 3.46Å; N327-V329 PolarHBondContact O-N 3.08Å
328A31.3Very low32.8Very low107 Ų107127.1 Ų127.188%0.88475%0.754SS**  trans-37.8106.6173.700000112G330A328-G330 PolarHBondContact O-N 2.98Å
329V34.4Very low33.4Very low136 Ų136127.8 Ų127.882%0.82476%0.764SS**  trans-87.5105.8163.6176.60000106N327 L331N327-V329 PolarHBondContact O-N 3.08Å; V329-L331 PolarHBondContact O-N 2.94Å
330G27.1Very low34.8Very low67 Ų67124.6 Ų124.669%0.69175%0.748SS**  trans-56.3120.4175.900000111.2A328A328-G330 PolarHBondContact O-N 2.98Å
331L32.5Very low36.7Very low151 Ų151120.2 Ų120.279%0.79172%0.718SS**  trans-87.3100.7154.1-80.1158.3000106.2V329 I333V329-L331 PolarHBondContact O-N 2.94Å; L331-I333 HydrophobicContact CB-CG1 4.19Å; L331-I333 PolarHBondContact O-N 3.12Å
332T28.4Very low39.3Very low145 Ų145115.7 Ų115.789%0.8970%0.7SS**  trans-67.392.7158.949.10000106.9
333I35.1Very low42.2Very low72 Ų72111.5 Ų111.537%0.36968%0.675SS.*  trans-83.3127.7165.8-60.7177.6000105.5L331 D335L331-I333 HydrophobicContact CB-CG1 4.19Å; L331-I333 PolarHBondContact O-N 3.12Å; I333-D335 PolarHBondContact O-N 3.38Å
334D32.5Very low45Very low166 Ų166105.7 Ų105.789%0.88865%0.648SS**  trans-61.8106.9179-151.3-0.8000108.9S336D334-S336 PolarHBondContact O-N 3.1Å
335D33.5Very low48Very low136 Ų136105 Ų10573%0.72763%0.632SS**  trans-79.2105.5-175.3-87.3-41.3000109.8I333I333-D335 PolarHBondContact O-N 3.38Å
336S33.1Very low50.8Low104 Ų104100.6 Ų100.673%0.72760%0.601SS**SBendtrans-147.710.2151.787.60000116.5D334D334-S336 PolarHBondContact O-N 3.1Å
337N38.9Very low53.9Low165 Ų16593 Ų9388%0.88256%0.561SS**SBendtrans-179.83.6162.4-94.2-25.7000116.7
338N43.5Very low56.8Low79 Ų7989.4 Ų89.442%0.42254%0.541SS..  trans-105.984.5177.9-81.7-15.6000110.4S340N338-S340 PolarHBondContact O-N 3.44Å
339A45Very low59.9Low87 Ų8787.2 Ų87.272%0.71951%0.513SS*.  trans-58.4102.9166.300000108.2S341A339-S341 PolarHBondContact O-N 3.25Å
340S56.2Low62.9Low77 Ų7780.8 Ų80.854%0.53847%0.474SS..  trans-65105.2173.572.20000107.3N338N338-S340 PolarHBondContact O-N 3.44Å
341S69.4Low66.3Low33 Ų3378.1 Ų78.123%0.23144%0.444CS..  trans-62.6142176.4-44.10000109.7R277 A339 P343R277-S341 VanDerWaalsContact CZ-OG 3.26Å; R277-S341 VanDerWaalsContact NH1-CB 3.34Å; R277-S341 PolarHBondContact NH1-OG 2.89Å; R277-S341 VanDerWaalsContact NH1-OG 3.1Å; R277-S341 PolarHBondContact NH2-OG 3.42Å; A339-S341 PolarHBondContact O-N 3.25Å; S341-P343 WeakPolarHBondContact O-CD 3.3Å
342D88.8Confident69.3Low88 Ų8875.7 Ų75.747%0.47143%0.432SS..  trans-57.5122.9176.9179.8-1.3000109.8K344 E345 I346D342-K344 PolarHBondContact O-N 3.45Å; D342-K344 WeakPolarHBondContact OD1-CB 3.42Å; D342-K344 PolarHBondContact OD1-N 3.2Å; D342-E345 HydrophobicContact CB-CB 4.13Å; D342-E345 WeakPolarHBondContact O-CB 3.32Å; D342-E345 PolarHBondContact O-N 2.87Å; D342-I346 PolarHBondContact O-N 3.47Å
343P91.6Very high72.6Confident34 Ų3469.6 Ų69.622%0.22139%0.394CS..Hα-helixtrans-50.9-31.4174.6-28.135.6000113.1L308 Y311 F312 S341 I346 F347 L385L308-P343 HydrophobicContact CD2-CB 4.28Å; L308-P343 VanDerWaalsContact CD2-O 3.25Å; L308-P343 WeakPolarHBondContact CD2-O 3.11Å; Y311-P343 HydrophobicContact CD2-CG 4.35Å; Y311-P343 HydrophobicContact CG-CG 4.45Å; F312-P343 HydrophobicContact CE2-CB 4.01Å; F312-P343 HydrophobicContact CZ-CB 4.06Å; S341-P343 WeakPolarHBondContact O-CD 3.3Å; P343-I346 PolarHBondContact O-N 3.48Å; P343-F347 WeakPolarHBondContact O-CB 3.36Å; P343-F347 PolarHBondContact O-N 3.02Å; P343-L385 HydrophobicContact CB-CD1 4.13Å; P343-L385 HydrophobicContact CB-CD2 4.43Å
344K92.4Very high75.6Confident63 Ų6366.2 Ų66.227%0.27438%0.376SS..Hα-helixtrans-66.5-41.1177.9-178.261173.576.40112.1D342 F347 D348 L385 I386D342-K344 PolarHBondContact O-N 3.45Å; D342-K344 WeakPolarHBondContact OD1-CB 3.42Å; D342-K344 PolarHBondContact OD1-N 3.2Å; K344-F347 HydrophobicContact CD-CD1 4.37Å; K344-F347 PolarHBondContact O-N 2.96Å; K344-D348 IonicContact NZ-OD1 2.63Å; K344-D348 PolarHBondContact NZ-OD1 3.25Å; K344-D348 IonicContact NZ-OD2 2.64Å; K344-D348 PolarHBondContact NZ-OD2 2.98Å; K344-D348 PolarHBondContact O-N 3.4Å; K344-L385 HydrophobicContact CB-CD1 3.92Å; K344-L385 HydrophobicContact CB-CG 4.48Å; K344-L385 HydrophobicContact CD-CD1 4.31Å; K344-L385 HydrophobicContact CD-CG 4.09Å; K344-I386 HydrophobicContact CD-CG2 4.31Å
345E93.6Very high78.8Confident99 Ų9962.2 Ų62.246%0.46335%0.353SS..Hα-helixtrans-64.1-46177.2-175.3-178.4-173.200110.9D342 F347 D348 Q349D342-E345 HydrophobicContact CB-CB 4.13Å; D342-E345 WeakPolarHBondContact O-CB 3.32Å; D342-E345 PolarHBondContact O-N 2.87Å; E345-F347 VanDerWaalsContact C-N 3.29Å; E345-F347 PolarHBondContact O-N 3.23Å; E345-D348 PolarHBondContact O-N 3.03Å; E345-Q349 WeakPolarHBondContact O-CB 3.25Å; E345-Q349 VanDerWaalsContact O-CG 3.31Å; E345-Q349 WeakPolarHBondContact O-CG 3.48Å; E345-Q349 PolarHBondContact O-N 3.01Å
346I94.5Very high81.8Confident0 Ų059 Ų590%033%0.33CS..Hα-helixtrans-57.8-44.7176.4-62173000110.6Y304 C307 L308 Y311 D342 P343 Q349 A350Y304-I346 HydrophobicContact CD1-CG2 3.65Å; Y304-I346 HydrophobicContact CE1-CG2 4.44Å; Y304-I346 HydrophobicContact CG-CG2 4.01Å; C307-I346 HydrophobicContact CB-CD1 4.4Å; C307-I346 HydrophobicContact CB-CG2 4.32Å; L308-I346 HydrophobicContact CD1-CG2 4.35Å; L308-I346 HydrophobicContact CD2-CB 4.18Å; L308-I346 HydrophobicContact CD2-CG2 4.07Å; L308-I346 HydrophobicContact CG-CG2 3.88Å; Y311-I346 HydrophobicContact CD2-CD1 4.34Å; Y311-I346 HydrophobicContact CE2-CD1 3.5Å; D342-I346 PolarHBondContact O-N 3.47Å; P343-I346 PolarHBondContact O-N 3.48Å; I346-Q349 PolarHBondContact O-N 3.35Å; I346-A350 WeakPolarHBondContact O-CB 3.27Å; I346-A350 PolarHBondContact O-N 2.94Å
347F96.2Very high84.9Confident10 Ų1054 Ų544%0.04430%0.295CS..Hα-helixtrans-60.9-47.6177165.3-97.8000112.3L308 P343 K344 E345 Q349 A350 V351 L376 M377 A380 L385 I386L308-F347 HydrophobicContact CD1-CB 4.07Å; L308-F347 HydrophobicContact CD1-CD2 4.48Å; L308-F347 HydrophobicContact CD2-CB 4.1Å; P343-F347 WeakPolarHBondContact O-CB 3.36Å; P343-F347 PolarHBondContact O-N 3.02Å; K344-F347 HydrophobicContact CD-CD1 4.37Å; K344-F347 PolarHBondContact O-N 2.96Å; E345-F347 VanDerWaalsContact C-N 3.29Å; E345-F347 PolarHBondContact O-N 3.23Å; F347-Q349 VanDerWaalsContact C-N 3.35Å; F347-Q349 PolarHBondContact O-N 3.2Å; F347-A350 PolarHBondContact O-N 3.37Å; F347-V351 HydrophobicContact CD2-CG2 4.13Å; F347-V351 HydrophobicContact CE1-CG2 4.36Å; F347-V351 HydrophobicContact CE2-CG2 3.57Å; F347-V351 HydrophobicContact CZ-CG2 3.71Å; F347-V351 WeakPolarHBondContact O-CG2 3.11Å; F347-V351 PolarHBondContact O-N 3.4Å; F347-L376 HydrophobicContact CD2-CB 4.47Å; F347-L376 HydrophobicContact CE2-CB 4.24Å; F347-M377 HydrophobicContact CE2-CG 4.41Å; F347-M377 HydrophobicContact CZ-CG 4.16Å; F347-A380 HydrophobicContact CD2-CB 3.59Å; F347-A380 HydrophobicContact CE1-CB 4.47Å; F347-A380 HydrophobicContact CE2-CB 3.41Å; F347-A380 VanDerWaalsContact CE2-CB 3.41Å; F347-A380 HydrophobicContact CG-CB 4.19Å; F347-A380 HydrophobicContact CZ-CB 3.89Å; F347-L385 HydrophobicContact CB-CD2 3.64Å; F347-L385 HydrophobicContact CG-CD2 4.08Å; F347-I386 HydrophobicContact CD1-CG2 4.04Å; F347-I386 HydrophobicContact CE1-CD1 4.33Å; F347-I386 HydrophobicContact CE1-CG2 3.55Å; F347-I386 HydrophobicContact CZ-CD1 3.89Å; F347-I386 HydrophobicContact CZ-CG2 4.14Å
348D95.8Very high87.7Confident59 Ų5946.4 Ų46.432%0.31626%0.256SS..Hα-helixtrans-63-42.7179.9-70.7-21.9000111.4K344 E345 A350 V351 N352K344-D348 IonicContact NZ-OD1 2.63Å; K344-D348 PolarHBondContact NZ-OD1 3.25Å; K344-D348 IonicContact NZ-OD2 2.64Å; K344-D348 PolarHBondContact NZ-OD2 2.98Å; K344-D348 PolarHBondContact O-N 3.4Å; E345-D348 PolarHBondContact O-N 3.03Å; D348-A350 PolarHBondContact O-N 3.29Å; D348-V351 PolarHBondContact O-N 3.01Å; D348-N352 WeakPolarHBondContact O-CB 3.46Å; D348-N352 PolarHBondContact O-N 2.89Å; D348-N352 PolarHBondContact O-ND2 3.33Å
349Q95.9Very high90.3Very high61 Ų6150.6 Ų50.629%0.28527%0.265SS..Hα-helixtrans-59.6-46174.9-72.2171.6-1800111.6Y304 E345 I346 F347 V351 N352 L353Y304-Q349 HydrophobicContact CD2-CB 4.42Å; Y304-Q349 HydrophobicContact CE2-CB 3.7Å; Y304-Q349 PolarHBondContact OH-OE1 3.45Å; E345-Q349 WeakPolarHBondContact O-CB 3.25Å; E345-Q349 VanDerWaalsContact O-CG 3.31Å; E345-Q349 WeakPolarHBondContact O-CG 3.48Å; E345-Q349 PolarHBondContact O-N 3.01Å; I346-Q349 PolarHBondContact O-N 3.35Å; F347-Q349 VanDerWaalsContact C-N 3.35Å; F347-Q349 PolarHBondContact O-N 3.2Å; Q349-V351 PolarHBondContact O-N 3.44Å; Q349-N352 PolarHBondContact O-N 3.33Å; Q349-L353 VanDerWaalsContact O-CB 3.24Å; Q349-L353 WeakPolarHBondContact O-CB 3.25Å; Q349-L353 PolarHBondContact O-N 3Å
350A97.3Very high92.7Very high0 Ų052.3 Ų52.30%026%0.259CS..Hα-helixtrans-62.5-44-179.800000113Y304 I346 F347 D348 L353 C354 L376Y304-A350 HydrophobicContact CD2-CB 3.74Å; Y304-A350 HydrophobicContact CG-CB 4.09Å; I346-A350 WeakPolarHBondContact O-CB 3.27Å; I346-A350 PolarHBondContact O-N 2.94Å; F347-A350 PolarHBondContact O-N 3.37Å; D348-A350 PolarHBondContact O-N 3.29Å; A350-L353 PolarHBondContact O-N 3.43Å; A350-C354 PolarHBondContact O-N 3.31Å; A350-C354 PolarHBondContact O-SG 3.34Å; A350-L376 HydrophobicContact CB-CD1 3.69Å
351V97.4Very high94.6Very high11 Ų1150.8 Ų50.87%0.06725%0.246CC..Hα-helixtrans-66.8-46.7178.1172.30000110.9F347 D348 Q349 L353 C354 E355 L376 M377F347-V351 HydrophobicContact CD2-CG2 4.13Å; F347-V351 HydrophobicContact CE1-CG2 4.36Å; F347-V351 HydrophobicContact CE2-CG2 3.57Å; F347-V351 HydrophobicContact CZ-CG2 3.71Å; F347-V351 WeakPolarHBondContact O-CG2 3.11Å; F347-V351 PolarHBondContact O-N 3.4Å; D348-V351 PolarHBondContact O-N 3.01Å; Q349-V351 PolarHBondContact O-N 3.44Å; V351-L353 VanDerWaalsContact C-N 3.27Å; V351-L353 PolarHBondContact O-N 2.86Å; V351-C354 WeakPolarHBondContact O-CB 3.34Å; V351-C354 PolarHBondContact O-N 3.29Å; V351-E355 PolarHBondContact O-N 3.04Å; V351-L376 HydrophobicContact CG2-CB 4.26Å; V351-M377 HydrophobicContact CG1-CE 3.63Å; V351-M377 HydrophobicContact CG2-CG 4.46Å
352N97.2Very high96Very high101 Ų10149.5 Ų49.554%0.5424%0.237SC..Hα-helixtrans-59.6-39.9177.2-73-30.5000111.7D348 Q349 E355 R356D348-N352 WeakPolarHBondContact O-CB 3.46Å; D348-N352 PolarHBondContact O-N 2.89Å; D348-N352 PolarHBondContact O-ND2 3.33Å; Q349-N352 PolarHBondContact O-N 3.33Å; N352-E355 PolarHBondContact O-N 3.44Å; N352-R356 PolarHBondContact O-N 3.37Å
353L97.4Very high96.4Very high16 Ų1653.7 Ų53.78%0.08425%0.246CC..Hα-helixtrans-68.5-39.8178.8-17253.6000112L297 L300 V301 Y304 Q349 A350 V351 E355 R356 L357L297-L353 HydrophobicContact CB-CD1 4Å; L297-L353 HydrophobicContact CD1-CD1 4.49Å; L297-L353 HydrophobicContact CD2-CD1 3.73Å; L297-L353 HydrophobicContact CG-CD1 4.25Å; L297-L353 VanDerWaalsContact O-CD2 3.3Å; L297-L353 WeakPolarHBondContact O-CD2 3.38Å; L300-L353 HydrophobicContact CB-CD2 3.95Å; L300-L353 HydrophobicContact CD2-CD2 3.99Å; L300-L353 HydrophobicContact CG-CD2 4.06Å; V301-L353 HydrophobicContact CG2-CB 3.96Å; V301-L353 HydrophobicContact CG2-CD2 3.67Å; V301-L353 HydrophobicContact CG2-CG 3.61Å; Y304-L353 HydrophobicContact CE2-CD2 4.38Å; Q349-L353 VanDerWaalsContact O-CB 3.24Å; Q349-L353 WeakPolarHBondContact O-CB 3.25Å; Q349-L353 PolarHBondContact O-N 3Å; A350-L353 PolarHBondContact O-N 3.43Å; V351-L353 VanDerWaalsContact C-N 3.27Å; V351-L353 PolarHBondContact O-N 2.86Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-E355 PolarHBondContact O-N 3.24Å; L353-R356 PolarHBondContact O-N 3.15Å; L353-L357 HydrophobicContact CG-CD1 4.15Å; L353-L357 WeakPolarHBondContact O-CB 3.46Å; L353-L357 WeakPolarHBondContact O-CG 3.42Å; L353-L357 PolarHBondContact O-N 2.99Å
354C98.5Very high96.7Very high1 Ų159.6 Ų59.61%0.00727%0.274CS..Hα-helixtrans-57.8-42.6170.4-73.90000111.7V301 A350 V351 L357 A358 W369 A373V301-C354 VanDerWaalsContact CG1-SG 3.53Å; A350-C354 PolarHBondContact O-N 3.31Å; A350-C354 PolarHBondContact O-SG 3.34Å; V351-C354 WeakPolarHBondContact O-CB 3.34Å; V351-C354 PolarHBondContact O-N 3.29Å; C354-L357 PolarHBondContact O-N 3.07Å; C354-A358 WeakPolarHBondContact O-CB 3.29Å; C354-A358 PolarHBondContact O-N 2.87Å; C354-W369 WeakPolarHBondContact O-CB 3.33Å; C354-A373 HydrophobicContact CB-CB 3.8Å
355E97.7Very high96.9Very high83 Ų8360.4 Ų60.439%0.38828%0.275SS..Hα-helixtrans-63.9-44.2176.8-69.5-170.1174.900112.3V351 N352 L353 A358 R359V351-E355 PolarHBondContact O-N 3.04Å; N352-E355 PolarHBondContact O-N 3.44Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-E355 PolarHBondContact O-N 3.24Å; E355-A358 PolarHBondContact O-N 2.98Å; E355-R359 WeakPolarHBondContact O-CB 3.38Å; E355-R359 WeakPolarHBondContact O-CG 3.38Å; E355-R359 PolarHBondContact O-N 3.2Å
356R97.6Very high97.1Very high67 Ų6757.1 Ų57.125%0.25326%0.263SS..Hα-helixtrans-61.2-47175.8-176.8178.8173.3-143.5-4.3111.6G291 D292 N352 L353 A358 R359 E360 V361G291-R356 PolarHBondContact O-NH1 3.3Å; G291-R356 PolarHBondContact O-NH2 3.28Å; D292-R356 IonicContact OD1-NH2 3.11Å; D292-R356 PolarHBondContact OD1-NH2 3.41Å; N352-R356 PolarHBondContact O-N 3.37Å; L353-R356 PolarHBondContact O-N 3.15Å; R356-A358 VanDerWaalsContact C-N 3.32Å; R356-A358 PolarHBondContact O-N 2.99Å; R356-R359 PolarHBondContact O-N 3.37Å; R356-E360 HydrophobicContact CG-CB 4.45Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 PolarHBondContact O-N 3.37Å; R356-V361 HydrophobicContact CG-CG2 4.3Å; R356-V361 PolarHBondContact O-N 2.75Å
357L98.2Very high97.3Very high0 Ų063.3 Ų63.30%030%0.296CS..Iπ-helixtrans-58.3-44.4175.7-75.9161.8000111.3L294 L297 V301 L353 C354 R359 V361 D362 W369L294-L357 HydrophobicContact CD1-CD2 3.73Å; L297-L357 HydrophobicContact CB-CD2 3.88Å; L297-L357 HydrophobicContact CB-CG 4.39Å; V301-L357 HydrophobicContact CG2-CD1 3.68Å; L353-L357 HydrophobicContact CG-CD1 4.15Å; L353-L357 WeakPolarHBondContact O-CB 3.46Å; L353-L357 WeakPolarHBondContact O-CG 3.42Å; L353-L357 PolarHBondContact O-N 2.99Å; C354-L357 PolarHBondContact O-N 3.07Å; L357-R359 PolarHBondContact O-N 3.31Å; L357-V361 HydrophobicContact CD2-CB 4.23Å; L357-V361 HydrophobicContact CD2-CG1 4.3Å; L357-D362 HydrophobicContact CD2-CB 4.2Å; L357-D362 CarbonylContact O-C 3.55Å; L357-D362 VanDerWaalsContact O-C 3.26Å; L357-D362 VanDerWaalsContact O-CA 3.3Å; L357-D362 WeakPolarHBondContact O-CA 3.18Å; L357-D362 PolarHBondContact O-N 3.29Å; L357-W369 HydrophobicContact CB-CB 4.36Å; L357-W369 HydrophobicContact CB-CD2 3.7Å; L357-W369 HydrophobicContact CB-CE3 4.38Å; L357-W369 HydrophobicContact CB-CG 3.64Å; L357-W369 HydrophobicContact CD1-CD2 3.76Å; L357-W369 HydrophobicContact CD1-CE3 3.68Å; L357-W369 HydrophobicContact CD1-CH2 3.77Å; L357-W369 HydrophobicContact CD1-CZ2 3.81Å; L357-W369 HydrophobicContact CD1-CZ3 3.69Å; L357-W369 HydrophobicContact CD2-CZ2 4.27Å; L357-W369 HydrophobicContact CG-CD2 4.29Å; L357-W369 HydrophobicContact CG-CZ2 4.45Å
358A98.1Very high97.4Very high6 Ų667.3 Ų67.35%0.0531%0.312CS..Iπ-helixtrans-64.8-38.7179.300000113.7C354 E355 R356 C366 W369 Q370C354-A358 WeakPolarHBondContact O-CB 3.29Å; C354-A358 PolarHBondContact O-N 2.87Å; E355-A358 PolarHBondContact O-N 2.98Å; R356-A358 VanDerWaalsContact C-N 3.32Å; R356-A358 PolarHBondContact O-N 2.99Å; A358-C366 HydrophobicContact CB-CB 4.4Å; A358-C366 WeakPolarHBondContact O-CB 3.49Å; A358-W369 HydrophobicContact CB-CB 3.89Å; A358-Q370 HydrophobicContact CB-CG 4.3Å
359R97.5Very high97.5Very high166 Ų16664.7 Ų64.763%0.62630%0.297SS*.Iπ-helixtrans-94.2-33.4-170.4-68-179.7-178.9-164.56.3113.9E355 R356 L357 R363E355-R359 WeakPolarHBondContact O-CB 3.38Å; E355-R359 WeakPolarHBondContact O-CG 3.38Å; E355-R359 PolarHBondContact O-N 3.2Å; R356-R359 PolarHBondContact O-N 3.37Å; L357-R359 PolarHBondContact O-N 3.31Å; R359-R363 PolarHBondContact O-NE 2.96Å; R359-R363 PolarHBondContact O-NH2 3.14Å
360E96.6Very high97.6Very high123 Ų12366 Ų6658%0.57530%0.303SS*.Iπ-helixtrans-121.6-50.5-163.3-65.2171.2-159.800112.3R356R356-E360 HydrophobicContact CG-CB 4.45Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 PolarHBondContact O-N 3.37Å
361V96.1Very high97.7Very high46 Ų4671.5 Ų71.528%0.27933%0.325SS..Iπ-helixtrans-95.9-45.3-166.7-176.40000112.7L294 L297 R356 L357L294-V361 HydrophobicContact CB-CG1 4.26Å; L294-V361 HydrophobicContact CD1-CG1 4.31Å; L297-V361 HydrophobicContact CD1-CG1 4.23Å; L297-V361 HydrophobicContact CD1-CG2 3.92Å; R356-V361 HydrophobicContact CG-CG2 4.3Å; R356-V361 PolarHBondContact O-N 2.75Å; L357-V361 HydrophobicContact CD2-CB 4.23Å; L357-V361 HydrophobicContact CD2-CG1 4.3Å
362D97.2Very high97.7Very high5 Ų572.5 Ų72.53%0.02733%0.327CS..  trans-129.355.7-168.3-1676.7000112.4L294 L357 I364 R365 C366 W369L294-D362 HydrophobicContact CD1-CB 3.61Å; L294-D362 WeakPolarHBondContact CD1-OD2 3.21Å; L357-D362 HydrophobicContact CD2-CB 4.2Å; L357-D362 CarbonylContact O-C 3.55Å; L357-D362 VanDerWaalsContact O-C 3.26Å; L357-D362 VanDerWaalsContact O-CA 3.3Å; L357-D362 WeakPolarHBondContact O-CA 3.18Å; L357-D362 PolarHBondContact O-N 3.29Å; D362-I364 PolarHBondContact O-N 3.39Å; D362-I364 VanDerWaalsContact O-N 3.14Å; D362-I364 WeakPolarHBondContact OD1-CG2 3.47Å; D362-R365 CarbonylContact O-C 3.51Å; D362-R365 PolarHBondContact O-N 2.89Å; D362-R365 IonicContact OD1-CZ 2.67Å; D362-R365 IonicContact OD1-NE 2.7Å; D362-R365 PolarHBondContact OD1-NE 3.24Å; D362-R365 IonicContact OD1-NH2 3.54Å; D362-R365 WeakPolarHBondContact OD2-CB 3.48Å; D362-R365 IonicContact OD2-CZ 2.76Å; D362-R365 IonicContact OD2-NE 3.27Å; D362-R365 PolarHBondContact OD2-NE 3.07Å; D362-R365 IonicContact OD2-NH2 3.56Å; D362-R365 PolarHBondContact OD2-NH2 3.48Å; D362-C366 PolarHBondContact O-N 3Å; D362-W369 PolarHBondContact OD2-NE1 3.28Å
363R97.3Very high97.7Very high176 Ų17668.1 Ų68.166%0.66431%0.306SS*.G310 helixtrans-59-29.2-175.9-64.5178.5176.5167.52.7112.7R359 R365 C366R359-R363 PolarHBondContact O-NE 2.96Å; R359-R363 PolarHBondContact O-NH2 3.14Å; R363-R365 VanDerWaalsContact C-N 3.25Å; R363-R365 PolarHBondContact O-N 3.17Å; R363-C366 WeakPolarHBondContact O-CB 3.49Å; R363-C366 PolarHBondContact O-N 2.59Å
364I97.7Very high97.7Very high158 Ų15873.4 Ų73.481%0.8132%0.324SS*.G310 helixtrans-62.9-33.1177-173.462.8000111.8D362D362-I364 PolarHBondContact O-N 3.39Å; D362-I364 VanDerWaalsContact O-N 3.14Å; D362-I364 WeakPolarHBondContact OD1-CG2 3.47Å
365R97.7Very high97.6Very high80 Ų8076.7 Ų76.730%0.30234%0.34SS..G310 helixtrans-103.522.9175.2-71178.5-69.4-171.39112.9D362 R363 N367 Y368 W369D362-R365 CarbonylContact O-C 3.51Å; D362-R365 PolarHBondContact O-N 2.89Å; D362-R365 IonicContact OD1-CZ 2.67Å; D362-R365 IonicContact OD1-NE 2.7Å; D362-R365 PolarHBondContact OD1-NE 3.24Å; D362-R365 IonicContact OD1-NH2 3.54Å; D362-R365 WeakPolarHBondContact OD2-CB 3.48Å; D362-R365 IonicContact OD2-CZ 2.76Å; D362-R365 IonicContact OD2-NE 3.27Å; D362-R365 PolarHBondContact OD2-NE 3.07Å; D362-R365 IonicContact OD2-NH2 3.56Å; D362-R365 PolarHBondContact OD2-NH2 3.48Å; R363-R365 VanDerWaalsContact C-N 3.25Å; R363-R365 PolarHBondContact O-N 3.17Å; R365-N367 VanDerWaalsContact C-N 3.29Å; R365-N367 PolarHBondContact O-N 2.94Å; R365-Y368 WeakPolarHBondContact O-CA 3.47Å; R365-Y368 VanDerWaalsContact O-CB 3.3Å; R365-Y368 WeakPolarHBondContact O-CB 3.47Å; R365-Y368 PolarHBondContact O-N 3.14Å; R365-W369 VanDerWaalsContact O-CD1 3.23Å; R365-W369 PolarHBondContact O-N 2.74Å
366C97.9Very high97.6Very high31 Ų3173.1 Ų73.121%0.20932%0.323CS..Hα-helixtrans-50.3-45.4179.8174.60000113.4A358 D362 R363 Y368 W369 Q370A358-C366 HydrophobicContact CB-CB 4.4Å; A358-C366 WeakPolarHBondContact O-CB 3.49Å; D362-C366 PolarHBondContact O-N 3Å; R363-C366 WeakPolarHBondContact O-CB 3.49Å; R363-C366 PolarHBondContact O-N 2.59Å; C366-Y368 VanDerWaalsContact C-N 3.29Å; C366-Y368 PolarHBondContact O-N 2.76Å; C366-W369 PolarHBondContact O-N 3.31Å; C366-Q370 VanDerWaalsContact O-CG 3.32Å; C366-Q370 WeakPolarHBondContact O-CG 3.31Å; C366-Q370 PolarHBondContact O-N 2.95Å; C366-Q370 PolarHBondContact SG-NE2 3.37Å; C366-Q370 VanDerWaalsContact SG-NE2 3.42Å
367N98.2Very high97.5Very high129 Ų12973.3 Ų73.369%0.6933%0.328SS*.Hα-helixtrans-62.8-34.5177.3-70.9-25.3000113R365 Y371R365-N367 VanDerWaalsContact C-N 3.29Å; R365-N367 PolarHBondContact O-N 2.94Å; N367-Y371 VanDerWaalsContact O-CB 3.3Å; N367-Y371 WeakPolarHBondContact O-CB 3.19Å; N367-Y371 PolarHBondContact O-N 2.97Å
368Y98.3Very high97.3Very high95 Ų9577.5 Ų77.537%0.37336%0.356SS..Hα-helixtrans-67.2-48.8175.7169.3-98.4000110.8E302 R365 C366 Q370 Y371 R372E302-Y368 PolarHBondContact OE1-OH 3.4Å; R365-Y368 WeakPolarHBondContact O-CA 3.47Å; R365-Y368 VanDerWaalsContact O-CB 3.3Å; R365-Y368 WeakPolarHBondContact O-CB 3.47Å; R365-Y368 PolarHBondContact O-N 3.14Å; C366-Y368 VanDerWaalsContact C-N 3.29Å; C366-Y368 PolarHBondContact O-N 2.76Å; Y368-Q370 PolarHBondContact O-N 3.48Å; Y368-Y371 CarbonylContact O-C 3.52Å; Y368-Y371 WeakPolarHBondContact O-CA 3.25Å; Y368-Y371 WeakPolarHBondContact O-CB 3.48Å; Y368-Y371 PolarHBondContact O-N 3.43Å; Y368-R372 PolarHBondContact O-N 3.16Å
369W98.5Very high97.1Very high4 Ų479.2 Ų79.22%0.01536%0.362CS..Hα-helixtrans-64.7-38.7-179.9-65.1119.9000112.8S298 V301 C354 L357 A358 D362 R365 C366 Y371 R372 A373S298-W369 VanDerWaalsContact CB-CH2 3.46Å; V301-W369 HydrophobicContact CB-CZ3 4.05Å; V301-W369 HydrophobicContact CG1-CE3 4.49Å; V301-W369 HydrophobicContact CG1-CZ3 3.95Å; V301-W369 HydrophobicContact CG2-CZ3 4.15Å; C354-W369 WeakPolarHBondContact O-CB 3.33Å; L357-W369 HydrophobicContact CB-CB 4.36Å; L357-W369 HydrophobicContact CB-CD2 3.7Å; L357-W369 HydrophobicContact CB-CE3 4.38Å; L357-W369 HydrophobicContact CB-CG 3.64Å; L357-W369 HydrophobicContact CD1-CD2 3.76Å; L357-W369 HydrophobicContact CD1-CE3 3.68Å; L357-W369 HydrophobicContact CD1-CH2 3.77Å; L357-W369 HydrophobicContact CD1-CZ2 3.81Å; L357-W369 HydrophobicContact CD1-CZ3 3.69Å; L357-W369 HydrophobicContact CD2-CZ2 4.27Å; L357-W369 HydrophobicContact CG-CD2 4.29Å; L357-W369 HydrophobicContact CG-CZ2 4.45Å; A358-W369 HydrophobicContact CB-CB 3.89Å; D362-W369 PolarHBondContact OD2-NE1 3.28Å; R365-W369 VanDerWaalsContact O-CD1 3.23Å; R365-W369 PolarHBondContact O-N 2.74Å; C366-W369 PolarHBondContact O-N 3.31Å; W369-Y371 VanDerWaalsContact C-N 3.31Å; W369-Y371 PolarHBondContact O-N 3.29Å; W369-R372 PolarHBondContact O-N 3.31Å; W369-A373 WeakPolarHBondContact O-CB 3.49Å; W369-A373 PolarHBondContact O-N 3.33Å
370Q98Very high96.9Very high89 Ų8971.3 Ų71.342%0.41633%0.333SS..Hα-helixtrans-63.5-37.9171.6-70.4178.4-1.300112.2A358 C366 Y368 R374A358-Q370 HydrophobicContact CB-CG 4.3Å; C366-Q370 VanDerWaalsContact O-CG 3.32Å; C366-Q370 WeakPolarHBondContact O-CG 3.31Å; C366-Q370 PolarHBondContact O-N 2.95Å; C366-Q370 PolarHBondContact SG-NE2 3.37Å; C366-Q370 VanDerWaalsContact SG-NE2 3.42Å; Y368-Q370 PolarHBondContact O-N 3.48Å; Q370-R374 WeakPolarHBondContact O-CG 3.33Å; Q370-R374 PolarHBondContact O-N 3.02Å; Q370-R374 PolarHBondContact O-NH1 2.91Å
371Y98.1Very high96.7Very high115 Ų11568.8 Ų68.845%0.45132%0.32SS..Hα-helixtrans-65.5-45.3173.9169.2-101.1000111.8N367 Y368 W369 A373 R374 Q375N367-Y371 VanDerWaalsContact O-CB 3.3Å; N367-Y371 WeakPolarHBondContact O-CB 3.19Å; N367-Y371 PolarHBondContact O-N 2.97Å; Y368-Y371 CarbonylContact O-C 3.52Å; Y368-Y371 WeakPolarHBondContact O-CA 3.25Å; Y368-Y371 WeakPolarHBondContact O-CB 3.48Å; Y368-Y371 PolarHBondContact O-N 3.43Å; W369-Y371 VanDerWaalsContact C-N 3.31Å; W369-Y371 PolarHBondContact O-N 3.29Å; Y371-A373 PolarHBondContact O-N 3.15Å; Y371-R374 WeakPolarHBondContact O-CB 3.4Å; Y371-R374 PolarHBondContact O-N 3.48Å; Y371-R374 VanDerWaalsContact O-N 3.14Å; Y371-Q375 HydrophobicContact CD1-CG 4.42Å; Y371-Q375 HydrophobicContact CE1-CG 3.96Å; Y371-Q375 HydrophobicContact CE2-CG 4.19Å; Y371-Q375 VanDerWaalsContact CZ-NE2 3.34Å; Y371-Q375 PolarHBondContact O-N 3.22Å; Y371-Q375 PolarHBondContact OH-NE2 2.97Å
372R97.8Very high96.5Very high31 Ų3175 Ų7512%0.11734%0.343CS..Hα-helixtrans-61.9-42.9178.2-167.759.7169.5146.70.1111.8V301 E302 Y368 W369 R374 Q375 L376V301-R372 HydrophobicContact CG1-CG 3.93Å; E302-R372 IonicContact OE1-NE 3.97Å; E302-R372 IonicContact OE2-CZ 3.99Å; E302-R372 VanDerWaalsContact OE2-CZ 3.27Å; E302-R372 IonicContact OE2-NE 3.45Å; E302-R372 PolarHBondContact OE2-NE 2.76Å; E302-R372 VanDerWaalsContact OE2-NE 3.11Å; E302-R372 IonicContact OE2-NH2 2.76Å; E302-R372 PolarHBondContact OE2-NH2 3Å; Y368-R372 PolarHBondContact O-N 3.16Å; W369-R372 PolarHBondContact O-N 3.31Å; R372-R374 VanDerWaalsContact C-N 3.33Å; R372-R374 PolarHBondContact O-N 3.2Å; R372-Q375 VanDerWaalsContact NH1-OE1 3.14Å; R372-Q375 WeakPolarHBondContact O-CB 3.33Å; R372-Q375 PolarHBondContact O-N 2.94Å; R372-Q375 VanDerWaalsContact O-N 3.14Å; R372-L376 PolarHBondContact O-N 3.4Å
373A97.7Very high96.3Very high10 Ų1076.3 Ų76.38%0.08335%0.351CS..Hα-helixtrans-57.4-44172.300000112.2C354 W369 Y371 Q375 L376 M377C354-A373 HydrophobicContact CB-CB 3.8Å; W369-A373 WeakPolarHBondContact O-CB 3.49Å; W369-A373 PolarHBondContact O-N 3.33Å; Y371-A373 PolarHBondContact O-N 3.15Å; A373-Q375 PolarHBondContact O-N 3.41Å; A373-L376 PolarHBondContact O-N 2.71Å; A373-M377 WeakPolarHBondContact O-CG 3.26Å; A373-M377 PolarHBondContact O-N 3.09Å
374R97.2Very high96Very high126 Ų12673.5 Ų73.548%0.47535%0.349SS..Hα-helixtrans-62.8-40.3175.4-72.6-172.4-59.9-89.65.1112.3Q370 Y371 R372 M377 C378Q370-R374 WeakPolarHBondContact O-CG 3.33Å; Q370-R374 PolarHBondContact O-N 3.02Å; Q370-R374 PolarHBondContact O-NH1 2.91Å; Y371-R374 WeakPolarHBondContact O-CB 3.4Å; Y371-R374 PolarHBondContact O-N 3.48Å; Y371-R374 VanDerWaalsContact O-N 3.14Å; R372-R374 VanDerWaalsContact C-N 3.33Å; R372-R374 PolarHBondContact O-N 3.2Å; R374-M377 PolarHBondContact O-N 2.78Å; R374-C378 WeakPolarHBondContact O-CB 3.27Å; R374-C378 PolarHBondContact O-N 2.7Å; R374-C378 PolarHBondContact O-SG 3.13Å; R374-C378 VanDerWaalsContact O-SG 3.35Å
375Q96.8Very high95.6Very high71 Ų7167.5 Ų67.533%0.33232%0.318SS..Hα-helixtrans-60.2-47175.3-69.2-173-48.900111.5Y371 R372 A373 M377 C378 F379Y371-Q375 HydrophobicContact CD1-CG 4.42Å; Y371-Q375 HydrophobicContact CE1-CG 3.96Å; Y371-Q375 HydrophobicContact CE2-CG 4.19Å; Y371-Q375 VanDerWaalsContact CZ-NE2 3.34Å; Y371-Q375 PolarHBondContact O-N 3.22Å; Y371-Q375 PolarHBondContact OH-NE2 2.97Å; R372-Q375 VanDerWaalsContact NH1-OE1 3.14Å; R372-Q375 WeakPolarHBondContact O-CB 3.33Å; R372-Q375 PolarHBondContact O-N 2.94Å; R372-Q375 VanDerWaalsContact O-N 3.14Å; A373-Q375 PolarHBondContact O-N 3.41Å; Q375-M377 VanDerWaalsContact C-N 3.35Å; Q375-M377 PolarHBondContact O-N 3.42Å; Q375-C378 PolarHBondContact O-N 2.84Å; Q375-F379 PolarHBondContact O-N 2.9Å
376L96.4Very high95.1Very high7 Ų765.1 Ų65.14%0.03731%0.312CS..Hα-helixtrans-59-44.6176.3-71.7167.1000111.5A305 L308 F347 A350 V351 R372 A373 F379 A380A305-L376 HydrophobicContact CB-CD2 3.89Å; L308-L376 HydrophobicContact CD1-CD2 3.98Å; F347-L376 HydrophobicContact CD2-CB 4.47Å; F347-L376 HydrophobicContact CE2-CB 4.24Å; A350-L376 HydrophobicContact CB-CD1 3.69Å; V351-L376 HydrophobicContact CG2-CB 4.26Å; R372-L376 PolarHBondContact O-N 3.4Å; A373-L376 PolarHBondContact O-N 2.71Å; L376-F379 PolarHBondContact O-N 3.09Å; L376-A380 WeakPolarHBondContact O-CB 3.36Å; L376-A380 PolarHBondContact O-N 2.92Å
377M95.6Very high94.1Very high72 Ų7268.4 Ų68.436%0.35533%0.333SS..Hα-helixtrans-62.5-43.1176.4-70.3177.3-175.500112.4F347 V351 A373 R374 Q375 A380 K381F347-M377 HydrophobicContact CE2-CG 4.41Å; F347-M377 HydrophobicContact CZ-CG 4.16Å; V351-M377 HydrophobicContact CG1-CE 3.63Å; V351-M377 HydrophobicContact CG2-CG 4.46Å; A373-M377 WeakPolarHBondContact O-CG 3.26Å; A373-M377 PolarHBondContact O-N 3.09Å; R374-M377 PolarHBondContact O-N 2.78Å; Q375-M377 VanDerWaalsContact C-N 3.35Å; Q375-M377 PolarHBondContact O-N 3.42Å; M377-A380 PolarHBondContact O-N 2.75Å; M377-K381 WeakPolarHBondContact O-CG 3.29Å; M377-K381 PolarHBondContact O-N 3.34Å
378C94.6Very high92.6Very high87 Ų8769.6 Ų69.659%0.58833%0.334SS*.Hα-helixtrans-62.2-43175.8-74.80000111.6R374 Q375 K382R374-C378 WeakPolarHBondContact O-CB 3.27Å; R374-C378 PolarHBondContact O-N 2.7Å; R374-C378 PolarHBondContact O-SG 3.13Å; R374-C378 VanDerWaalsContact O-SG 3.35Å; Q375-C378 PolarHBondContact O-N 2.84Å; C378-K382 WeakPolarHBondContact O-CB 3.46Å; C378-K382 PolarHBondContact O-N 2.93Å; C378-K382 VanDerWaalsContact O-N 3.08Å
379F94Very high90.7Very high43 Ų4370.9 Ų70.919%0.18935%0.346CS..Hα-helixtrans-61.7-50174.9176.6-92.6000111.4L308 E309 F312 Q375 L376 K381 K382 V383L308-F379 HydrophobicContact CB-CD1 4.39Å; L308-F379 HydrophobicContact CB-CE1 3.86Å; E309-F379 HydrophobicContact CG-CD2 4.32Å; E309-F379 HydrophobicContact CG-CE2 3.87Å; E309-F379 HydrophobicContact CG-CZ 4.1Å; F312-F379 HydrophobicContact CB-CZ 4.09Å; F312-F379 AromaticContact CD2-CE1 3.86Å; F312-F379 HydrophobicContact CD2-CE1 3.86Å; F312-F379 AromaticContact CD2-CZ 3.95Å; F312-F379 HydrophobicContact CD2-CZ 3.95Å; F312-F379 HydrophobicContact CE2-CE1 4.47Å; F312-F379 HydrophobicContact CG-CZ 4.39Å; Q375-F379 PolarHBondContact O-N 2.9Å; L376-F379 PolarHBondContact O-N 3.09Å; F379-K381 VanDerWaalsContact C-N 3.31Å; F379-K381 PolarHBondContact O-N 3.13Å; F379-K382 WeakPolarHBondContact O-CB 3.47Å; F379-K382 PolarHBondContact O-N 3.2Å; F379-V383 HydrophobicContact CD1-CG2 4.3Å; F379-V383 HydrophobicContact CE1-CG1 4.15Å; F379-V383 HydrophobicContact CE1-CG2 3.95Å; F379-V383 HydrophobicContact CE2-CG1 4.05Å; F379-V383 HydrophobicContact CZ-CG1 3.83Å; F379-V383 HydrophobicContact CZ-CG2 4.44Å; F379-V383 WeakPolarHBondContact O-CG2 3.5Å; F379-V383 PolarHBondContact O-N 2.9Å
380A93.3Very high88Confident0 Ų076.7 Ų76.70%038%0.382CS..Hα-helixtrans-58.8-39-18000000112.7F347 L376 M377 N384 L385 I386F347-A380 HydrophobicContact CD2-CB 3.59Å; F347-A380 HydrophobicContact CE1-CB 4.47Å; F347-A380 HydrophobicContact CE2-CB 3.41Å; F347-A380 VanDerWaalsContact CE2-CB 3.41Å; F347-A380 HydrophobicContact CG-CB 4.19Å; F347-A380 HydrophobicContact CZ-CB 3.89Å; L376-A380 WeakPolarHBondContact O-CB 3.36Å; L376-A380 PolarHBondContact O-N 2.92Å; M377-A380 PolarHBondContact O-N 2.75Å; A380-N384 PolarHBondContact O-N 3.26Å; A380-L385 HydrophobicContact CB-CB 4.15Å; A380-L385 HydrophobicContact CB-CD2 4.36Å; A380-L385 PolarHBondContact O-N 3.13Å; A380-I386 HydrophobicContact CB-CD1 4Å; A380-I386 HydrophobicContact CB-CG1 3.88Å; A380-I386 HydrophobicContact CB-CG2 4.47Å
381K92.4Very high85.2Confident69 Ų6979.3 Ų79.330%0.340%0.397SS..Hα-helixtrans-62.8-47.8171.6-73178.2-178.4-1710111.7M377 F379 V383 N384 I386M377-K381 WeakPolarHBondContact O-CG 3.29Å; M377-K381 PolarHBondContact O-N 3.34Å; F379-K381 VanDerWaalsContact C-N 3.31Å; F379-K381 PolarHBondContact O-N 3.13Å; K381-V383 PolarHBondContact O-N 3.29Å; K381-N384 PolarHBondContact O-N 3.09Å; K381-I386 HydrophobicContact CG-CD1 3.89Å; K381-I386 HydrophobicContact CG-CG1 3.77Å
382K92.4Very high82.1Confident177 Ų17783 Ų8377%0.7744%0.435SS*.Hα-helixtrans-57.9-35.1-179.2-176.5-174.4175.1-171.40112.7C378 F379C378-K382 WeakPolarHBondContact O-CB 3.46Å; C378-K382 PolarHBondContact O-N 2.93Å; C378-K382 VanDerWaalsContact O-N 3.08Å; F379-K382 WeakPolarHBondContact O-CB 3.47Å; F379-K382 PolarHBondContact O-N 3.2Å
383V92.1Very high81.3Confident33 Ų3385.6 Ų85.620%0.245%0.451CS..THydrogen-bonded Turntrans-9711.4179.3-54.60000113.4F312 F379 K381 L385F312-V383 HydrophobicContact CB-CB 4.33Å; F312-V383 HydrophobicContact CB-CG1 3.86Å; F312-V383 HydrophobicContact CD1-CB 3.75Å; F312-V383 HydrophobicContact CD1-CG1 4.23Å; F312-V383 HydrophobicContact CD1-CG2 4.07Å; F312-V383 HydrophobicContact CD2-CB 4.2Å; F312-V383 HydrophobicContact CD2-CG1 4.34Å; F312-V383 HydrophobicContact CD2-CG2 3.81Å; F312-V383 HydrophobicContact CE1-CB 4.06Å; F312-V383 HydrophobicContact CE1-CG2 4.03Å; F312-V383 HydrophobicContact CE2-CG2 3.8Å; F312-V383 HydrophobicContact CG-CB 3.84Å; F312-V383 HydrophobicContact CG-CG1 3.9Å; F312-V383 HydrophobicContact CG-CG2 3.97Å; F312-V383 HydrophobicContact CZ-CB 4.45Å; F312-V383 HydrophobicContact CZ-CG2 3.92Å; F379-V383 HydrophobicContact CD1-CG2 4.3Å; F379-V383 HydrophobicContact CE1-CG1 4.15Å; F379-V383 HydrophobicContact CE1-CG2 3.95Å; F379-V383 HydrophobicContact CE2-CG1 4.05Å; F379-V383 HydrophobicContact CZ-CG1 3.83Å; F379-V383 HydrophobicContact CZ-CG2 4.44Å; F379-V383 WeakPolarHBondContact O-CG2 3.5Å; F379-V383 PolarHBondContact O-N 2.9Å; K381-V383 PolarHBondContact O-N 3.29Å; V383-L385 VanDerWaalsContact C-N 3.26Å; V383-L385 HydrophobicContact CG2-CB 4.02Å; V383-L385 PolarHBondContact O-N 3.28Å
384N90.6Very high80.5Confident116 Ų11689.6 Ų89.662%0.6247%0.471SS*.THydrogen-bonded Turntrans57.830-179.8-57.1-61000115A380 K381A380-N384 PolarHBondContact O-N 3.26Å; K381-N384 PolarHBondContact O-N 3.09Å
385L89.3Confident79.5Confident32 Ų3287.6 Ų87.617%0.16847%0.471CS..SBendtrans-79.5-26.6175.9-171.462.6000112.5L308 F312 P343 K344 F347 A380 V383L308-L385 HydrophobicContact CD2-CD2 4.08Å; F312-L385 HydrophobicContact CE2-CD2 4.43Å; F312-L385 HydrophobicContact CZ-CD1 4.26Å; P343-L385 HydrophobicContact CB-CD1 4.13Å; P343-L385 HydrophobicContact CB-CD2 4.43Å; K344-L385 HydrophobicContact CB-CD1 3.92Å; K344-L385 HydrophobicContact CB-CG 4.48Å; K344-L385 HydrophobicContact CD-CD1 4.31Å; K344-L385 HydrophobicContact CD-CG 4.09Å; F347-L385 HydrophobicContact CB-CD2 3.64Å; F347-L385 HydrophobicContact CG-CD2 4.08Å; A380-L385 HydrophobicContact CB-CB 4.15Å; A380-L385 HydrophobicContact CB-CD2 4.36Å; A380-L385 PolarHBondContact O-N 3.13Å; V383-L385 VanDerWaalsContact C-N 3.26Å; V383-L385 HydrophobicContact CG2-CB 4.02Å; V383-L385 PolarHBondContact O-N 3.28Å
386I87.9Confident78.5Confident31 Ų3188.5 Ų88.516%0.15948%0.479CS..SBendtrans-127.9150.4171.160.3177.3000109.6K344 F347 A380 K381K344-I386 HydrophobicContact CD-CG2 4.31Å; F347-I386 HydrophobicContact CD1-CG2 4.04Å; F347-I386 HydrophobicContact CE1-CD1 4.33Å; F347-I386 HydrophobicContact CE1-CG2 3.55Å; F347-I386 HydrophobicContact CZ-CD1 3.89Å; F347-I386 HydrophobicContact CZ-CG2 4.14Å; A380-I386 HydrophobicContact CB-CD1 4Å; A380-I386 HydrophobicContact CB-CG1 3.88Å; A380-I386 HydrophobicContact CB-CG2 4.47Å; K381-I386 HydrophobicContact CG-CD1 3.89Å; K381-I386 HydrophobicContact CG-CG1 3.77Å
387P77.4Confident77.4Confident100 Ų10093.6 Ų93.665%0.64951%0.506SS*.  trans-56.6144.6176.1-21.931.9000111.5I389P387-I389 PolarHBondContact O-N 2.73Å
388E66.6Low76.2Confident154 Ų15495.1 Ų95.172%0.7252%0.516SS*.  trans-6685.2161.3-74.9-168.9158.400108.4T390E388-T390 VanDerWaalsContact C-N 3.34Å; E388-T390 PolarHBondContact O-N 3.35Å
389I58.9Low74.9Confident121 Ų12195.6 Ų95.662%0.62151%0.511SS*.  trans-69102.5165.8-57176.3000105.8P387 I391P387-I389 PolarHBondContact O-N 2.73Å; I389-I391 PolarHBondContact O-N 3.4Å; I389-I391 VanDerWaalsContact O-N 3.07Å
390T42Very low73.4Confident126 Ų12699.7 Ų99.777%0.77354%0.536SS*.  trans-54.8106.7155.932.70000106.8E388E388-T390 VanDerWaalsContact C-N 3.34Å; E388-T390 PolarHBondContact O-N 3.35Å
391I37.3Very low71.7Confident144 Ų144108 Ų10874%0.73858%0.581SS**  trans-57.2128.4162.7-56.6173000105.2I389I389-I391 PolarHBondContact O-N 3.4Å; I389-I391 VanDerWaalsContact O-N 3.07Å
392P34Very low69.9Low193 Ų193111.5 Ų111.5100%1.25361%0.606SS**  trans-51.30176.9-23.932.1000113.1

Retrieved 392 of 392 residues in 90.5 ms (Link to these results)

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