A0A061IMZ0_CRIGR Loading...

Homer protein homolog 3

AlphaFold DB , UniProt , Accession A0A061IMZ0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Homer3, Length 359 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M33.7Very low68.4Low239 Ų239118.4 Ų118.4100%1.17764%0.64SS**  0114.40-66.4-169.7-177.600107.5T3M1-T3 PolarHBondContact O-N 3.16Å; M1-T3 VanDerWaalsContact O-N 3.16Å
2S31.2Very low70.9Confident127 Ų127109.7 Ų109.789%0.88859%0.594SS**  trans-72.9105.5-173.6-160.90000108.8A4S2-A4 PolarHBondContact O-N 2.96Å
3T41Very low72.9Confident125 Ų125111.3 Ų111.377%0.76759%0.586SS**  trans-63102.1169.851.30000106.9M1 R5M1-T3 PolarHBondContact O-N 3.16Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-R5 PolarHBondContact O-N 2.98Å
4A48.3Very low74.7Confident97 Ų97103.4 Ų103.480%0.80255%0.545SS*.  trans-50.9114.1176.400000108.1S2 E6S2-A4 PolarHBondContact O-N 2.96Å; A4-E6 PolarHBondContact O-N 3.25Å
5R62.1Low76.3Confident227 Ų227102.3 Ų102.386%0.85754%0.535SS*.  trans-56.2126.1178.3-69.4175.1175.2165.9-2107.3T3 Q7T3-R5 PolarHBondContact O-N 2.98Å; R5-Q7 PolarHBondContact O-N 3.3Å
6E72.6Confident77.6Confident77 Ų7796.1 Ų96.136%0.3650%0.503SS..  trans-46117.1172.7-82.6179.1-168.300108.4A4 F40 D42 R49A4-E6 PolarHBondContact O-N 3.25Å; E6-F40 HydrophobicContact CB-CD1 4.08Å; E6-F40 WeakPolarHBondContact O-CE1 3.43Å; E6-D42 WeakPolarHBondContact OE1-CA 3.41Å; E6-R49 IonicContact OE1-NH2 3.43Å; E6-R49 PolarHBondContact OE1-NH2 3.36Å; E6-R49 IonicContact OE2-CZ 3.93Å; E6-R49 IonicContact OE2-NH2 2.81Å; E6-R49 PolarHBondContact OE2-NH2 3.33Å
7Q84Confident78.7Confident166 Ų16693.5 Ų93.578%0.77649%0.487SS*.  trans-85.6141177.5-68.7-168.6900109.5R5R5-Q7 PolarHBondContact O-N 3.3Å
8P91.5Very high79.7Confident59 Ų5991.3 Ų91.338%0.38347%0.474SS..EExtended strand (participates in β ladder)trans-69.6134.5176.628.5-32.7000110.3F10 S11 Y39 F40P8-F10 VanDerWaalsContact C-N 3.34Å; P8-S11 WeakPolarHBondContact CB-OG 3.39Å; P8-Y39 CarbonylContact C-O 3.47Å; P8-Y39 WeakPolarHBondContact CA-O 3.37Å; P8-F40 HydrophobicContact CB-CD1 4.25Å; P8-F40 HydrophobicContact CB-CE1 3.73Å; P8-F40 HydrophobicContact CB-CE2 4.23Å; P8-F40 HydrophobicContact CB-CZ 3.73Å; P8-F40 HydrophobicContact CG-CE1 4.25Å; P8-F40 HydrophobicContact CG-CZ 4.31Å
9I94.4Very high80.4Confident92 Ų9287.8 Ų87.847%0.47246%0.455SS..EExtended strand (participates in β ladder)trans-68.5-39.4173.6-62162.7000110.2Y39 Y48I9-Y39 PolarHBondContact N-O 2.98Å; I9-Y48 HydrophobicContact CD1-CD1 3.76Å; I9-Y48 HydrophobicContact CD1-CE1 3.74Å
10F96.6Very high80.9Confident35 Ų3584.7 Ų84.715%0.15444%0.44CS..EExtended strand (participates in β ladder)trans-150.3144.2179.8172.5-92.2000108.6P8 T12 S38 Y39 Q101 F102 K105P8-F10 VanDerWaalsContact C-N 3.34Å; F10-T12 HydrophobicContact CE1-CG2 3.76Å; F10-T12 HydrophobicContact CZ-CG2 4.4Å; F10-S38 CarbonylContact O-C 3.57Å; F10-S38 WeakPolarHBondContact O-CA 3.45Å; F10-S38 WeakPolarHBondContact O-CB 3.37Å; F10-Y39 HydrophobicContact CB-CD2 4.11Å; F10-Y39 AromaticContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CE2 4.04Å; F10-Y39 HydrophobicContact CG-CD2 4.36Å; F10-Y39 PolarHBondContact O-N 3.49Å; F10-Q101 HydrophobicContact CZ-CB 4.4Å; F10-F102 HydrophobicContact CE1-CD2 4.14Å; F10-K105 HydrophobicContact CB-CD 4.36Å; F10-K105 HydrophobicContact CB-CG 4.38Å; F10-K105 HydrophobicContact CD1-CB 4.49Å; F10-K105 HydrophobicContact CD1-CG 4.29Å; F10-K105 HydrophobicContact CD2-CD 4.3Å; F10-K105 HydrophobicContact CD2-CG 3.9Å; F10-K105 HydrophobicContact CE2-CG 4.2Å; F10-K105 HydrophobicContact CG-CD 4.37Å; F10-K105 HydrophobicContact CG-CG 3.93Å
11S97.2Very high81.2Confident58 Ų5885 Ų8541%0.40645%0.446SS..EExtended strand (participates in β ladder)trans-137.8138.7176.9-61.10000110.4P8 V37 S38P8-S11 WeakPolarHBondContact CB-OG 3.39Å; S11-V37 WeakPolarHBondContact CA-O 3.33Å; S11-S38 WeakPolarHBondContact CB-OG 3.36Å; S11-S38 WeakPolarHBondContact OG-CB 3.21Å; S11-S38 PolarHBondContact OG-OG 2.86Å
12T97.7Very high83.7Confident14 Ų1479.4 Ų79.49%0.08643%0.426CS..EExtended strand (participates in β ladder)trans-142.2169.6174.8-171.10000110.9F10 T36 V37 F93 F102F10-T12 HydrophobicContact CE1-CG2 3.76Å; F10-T12 HydrophobicContact CZ-CG2 4.4Å; T12-T36 CarbonylContact O-C 3.57Å; T12-T36 WeakPolarHBondContact O-CA 3.48Å; T12-V37 PolarHBondContact N-O 3.17Å; T12-V37 PolarHBondContact O-N 3.35Å; T12-F93 HydrophobicContact CG2-CD1 4.5Å; T12-F93 HydrophobicContact CG2-CE1 3.8Å; T12-F102 HydrophobicContact CG2-CD2 3.7Å; T12-F102 HydrophobicContact CG2-CE2 4.34Å
13R97.6Very high86.4Confident131 Ų13176.3 Ų76.349%0.49440%0.402SS..EExtended strand (participates in β ladder)trans-110.2125.6179.5-69.9-75.4-69.7-159.8-5110.2A34 L35 T36R13-A34 PolarHBondContact NH2-O 3.03Å; R13-L35 WeakPolarHBondContact CA-O 3.44Å; R13-T36 WeakPolarHBondContact CD-OG1 3.48Å; R13-T36 PolarHBondContact NH1-OG1 2.96Å
14A98Very high88.5Confident1 Ų175 Ų751%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-149.5152.7179.200000112.1A34 L35 V37 L91 G92 F93A14-A34 CarbonylContact O-C 3.55Å; A14-A34 WeakPolarHBondContact O-CA 3.36Å; A14-L35 PolarHBondContact N-O 2.99Å; A14-L35 PolarHBondContact O-N 3.41Å; A14-V37 HydrophobicContact CB-CG2 4.35Å; A14-L91 HydrophobicContact CB-CB 4.12Å; A14-L91 HydrophobicContact CB-CD2 4.15Å; A14-G92 CarbonylContact C-O 3.6Å; A14-G92 WeakPolarHBondContact CA-O 3.46Å; A14-F93 HydrophobicContact CB-CD1 3.81Å; A14-F93 HydrophobicContact CB-CE1 3.79Å; A14-F93 HydrophobicContact CB-CG 4.4Å; A14-F93 HydrophobicContact CB-CZ 4.36Å
15H98.1Very high90.4Very high87 Ų8780.8 Ų80.840%0.40339%0.387SS..EExtended strand (participates in β ladder)trans-75.6127.1164.9-68.489.8000108.8F17 A34 L91 G92H15-F17 HydrophobicContact CB-CE2 3.61Å; H15-F17 HydrophobicContact CB-CZ 4.09Å; H15-F17 WeakPolarHBondContact O-CD2 3.3Å; H15-F17 WeakPolarHBondContact O-CE2 3.42Å; H15-A34 PolarHBondContact CD2-N 3.41Å; H15-A34 PolarHBondContact NE2-N 3.47Å; H15-L91 WeakPolarHBondContact O-CA 3.39Å; H15-G92 PolarHBondContact N-O 3.49Å; H15-G92 PolarHBondContact O-N 3.44Å
16V97.6Very high91.8Very high2 Ų274.5 Ų74.51%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-98.3133.6-175.4-176.40000110.3A30 L35 V37 I59 I60 L91V16-A30 HydrophobicContact CB-CB 4.26Å; V16-A30 HydrophobicContact CG1-CB 3.96Å; V16-A30 PolarHBondContact O-N 2.81Å; V16-L35 HydrophobicContact CG2-CB 4.42Å; V16-L35 HydrophobicContact CG2-CD1 4.39Å; V16-V37 HydrophobicContact CG2-CG2 4.05Å; V16-I59 HydrophobicContact CG1-CG2 3.96Å; V16-I60 HydrophobicContact CB-CD1 4.46Å; V16-I60 HydrophobicContact CG1-CD1 3.53Å; V16-I60 HydrophobicContact CG1-CG1 3.85Å; V16-I60 HydrophobicContact CG2-CD1 4.05Å; V16-L91 HydrophobicContact CB-CD2 4.34Å; V16-L91 HydrophobicContact CG1-CD2 4.35Å; V16-L91 HydrophobicContact CG2-CD2 3.81Å
17F97.1Very high92.9Very high52 Ų5275.2 Ų75.223%0.22837%0.37CS..EExtended strand (participates in β ladder)trans-128.1153.5177-58.2-96.3000110.2H15 W27 I28 P29 F77 G90H15-F17 HydrophobicContact CB-CE2 3.61Å; H15-F17 HydrophobicContact CB-CZ 4.09Å; H15-F17 WeakPolarHBondContact O-CD2 3.3Å; H15-F17 WeakPolarHBondContact O-CE2 3.42Å; F17-W27 HydrophobicContact CB-CD2 4.43Å; F17-W27 HydrophobicContact CB-CE3 3.65Å; F17-W27 HydrophobicContact CB-CZ3 4.23Å; F17-W27 HydrophobicContact CD1-CB 4.49Å; F17-I28 CarbonylContact C-O 3.57Å; F17-I28 VanDerWaalsContact CA-O 3.3Å; F17-I28 WeakPolarHBondContact CA-O 3.39Å; F17-P29 HydrophobicContact CD1-CB 4.09Å; F17-P29 HydrophobicContact CE1-CB 4Å; F17-F77 AromaticContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CE2-CE2 4.11Å; F17-F77 HydrophobicContact CG-CE2 4.22Å; F17-G90 PolarHBondContact N-O 3.5Å; F17-G90 PolarHBondContact O-N 3.29Å
18Q95.7Very high93.4Very high54 Ų5471 Ų7125%0.25235%0.351SS..EExtended strand (participates in β ladder)trans-131145.8170.5-68.5-178.44300109.2I28 A30 I59 V88 Y89Q18-I28 PolarHBondContact N-O 3.19Å; Q18-I28 PolarHBondContact O-N 3.15Å; Q18-A30 HydrophobicContact CG-CB 4.49Å; Q18-I59 PolarHBondContact NE2-O 3.3Å; Q18-V88 WeakPolarHBondContact CA-O 3.5Å; Q18-Y89 HydrophobicContact CG-CD1 3.66Å; Q18-Y89 HydrophobicContact CG-CE1 3.86Å
19I93.3Very high93.6Very high25 Ų2572.1 Ų72.113%0.12836%0.359CS..EExtended strand (participates in β ladder)trans-69.3138.3172.2-152.7166.6000109.6K24 N26 V88I19-K24 WeakPolarHBondContact CD1-O 3.33Å; I19-N26 WeakPolarHBondContact CA-O 2.92Å; I19-V88 HydrophobicContact CB-CB 4.07Å; I19-V88 HydrophobicContact CG2-CB 3.76Å; I19-V88 HydrophobicContact CG2-CG2 3.94Å; I19-V88 PolarHBondContact N-O 3.22Å
20D90Very high93.4Very high26 Ų2669.3 Ų69.314%0.13935%0.349CS..  trans-56.3122.1174.3177.4-1.3000110T22 T23 K24 N26 I28D20-T22 PolarHBondContact O-N 3.31Å; D20-T22 WeakPolarHBondContact OD1-CB 3.32Å; D20-T22 PolarHBondContact OD1-N 3.07Å; D20-T22 PolarHBondContact OD1-OG1 2.74Å; D20-T23 VanDerWaalsContact CB-OG1 3.28Å; D20-T23 WeakPolarHBondContact CB-OG1 3.21Å; D20-T23 VanDerWaalsContact CG-OG1 3.25Å; D20-T23 WeakPolarHBondContact OD2-CB 3.3Å; D20-T23 VanDerWaalsContact OD2-CG2 3.26Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.39Å; D20-T23 PolarHBondContact OD2-N 3.17Å; D20-T23 PolarHBondContact OD2-OG1 3.01Å; D20-K24 WeakPolarHBondContact O-CA 3.35Å; D20-K24 PolarHBondContact O-N 3.04Å; D20-N26 HydrophobicContact CB-CB 4.35Å; D20-N26 PolarHBondContact N-O 2.76Å; D20-I28 HydrophobicContact CB-CD1 3.59Å; D20-I28 HydrophobicContact CB-CG1 3.99Å
21P86.9Confident92.9Very high90 Ų9069 Ų6958%0.58436%0.356SS*.THydrogen-bonded Turntrans-63.3-23.9-179.726.4-35.1000112.8K24P21-K24 VanDerWaalsContact O-CE 3.27Å; P21-K24 WeakPolarHBondContact O-CE 3.44Å
22T86.1Confident92.4Very high123 Ų12375.5 Ų75.576%0.75538%0.377SS*.THydrogen-bonded Turntrans-84-54-177.6-42.30000111.1D20D20-T22 PolarHBondContact O-N 3.31Å; D20-T22 WeakPolarHBondContact OD1-CB 3.32Å; D20-T22 PolarHBondContact OD1-N 3.07Å; D20-T22 PolarHBondContact OD1-OG1 2.74Å
23T88.2Confident92.1Very high62 Ų6281.3 Ų81.338%0.3840%0.403SS..THydrogen-bonded Turntrans-88.1-19.6-173.760.40000113.6D20 R25 N26D20-T23 VanDerWaalsContact CB-OG1 3.28Å; D20-T23 WeakPolarHBondContact CB-OG1 3.21Å; D20-T23 VanDerWaalsContact CG-OG1 3.25Å; D20-T23 WeakPolarHBondContact OD2-CB 3.3Å; D20-T23 VanDerWaalsContact OD2-CG2 3.26Å; D20-T23 WeakPolarHBondContact OD2-CG2 3.39Å; D20-T23 PolarHBondContact OD2-N 3.17Å; D20-T23 PolarHBondContact OD2-OG1 3.01Å; T23-R25 WeakPolarHBondContact O-CG 3.42Å; T23-R25 PolarHBondContact O-N 2.7Å; T23-N26 PolarHBondContact OG1-ND2 2.91Å
24K86.8Confident92Very high98 Ų9876.2 Ų76.243%0.42639%0.388SS..SBendtrans49.423.8-176.6-60.3-66.3-170.9178.10113.9I19 D20 P21 N86I19-K24 WeakPolarHBondContact CD1-O 3.33Å; D20-K24 WeakPolarHBondContact O-CA 3.35Å; D20-K24 PolarHBondContact O-N 3.04Å; P21-K24 VanDerWaalsContact O-CE 3.27Å; P21-K24 WeakPolarHBondContact O-CE 3.44Å; K24-N86 PolarHBondContact NZ-O 3.21Å
25R86.8Confident91.9Very high218 Ų21877.5 Ų77.582%0.82340%0.395SS*.SBendtrans-134.9-31.9-177.5-71.8-174.5-177.8-127.51.7113.3T23T23-R25 WeakPolarHBondContact O-CG 3.42Å; T23-R25 PolarHBondContact O-N 2.7Å
26N92.3Very high91.9Very high95 Ų9576.4 Ų76.451%0.50840%0.395SS..  trans-93.2139.3-176.1-63.9-38.8000111.8I19 D20 T23I19-N26 WeakPolarHBondContact CA-O 2.92Å; D20-N26 HydrophobicContact CB-CB 4.35Å; D20-N26 PolarHBondContact N-O 2.76Å; T23-N26 PolarHBondContact OG1-ND2 2.91Å
27W95.3Very high91.9Very high91 Ų9176.3 Ų76.335%0.34539%0.394SS..EExtended strand (participates in β ladder)trans-85.4126.1171.8-72.3104.5000110.8F17 F77 Q79 V88F17-W27 HydrophobicContact CB-CD2 4.43Å; F17-W27 HydrophobicContact CB-CE3 3.65Å; F17-W27 HydrophobicContact CB-CZ3 4.23Å; F17-W27 HydrophobicContact CD1-CB 4.49Å; W27-F77 HydrophobicContact CD2-CZ 4.06Å; W27-F77 AromaticContact CE2-CZ 3.91Å; W27-F77 HydrophobicContact CE3-CZ 4.23Å; W27-F77 HydrophobicContact CH2-CE1 4.23Å; W27-F77 HydrophobicContact CH2-CZ 4.09Å; W27-F77 AromaticContact CZ2-CE1 3.82Å; W27-F77 HydrophobicContact CZ2-CE1 3.82Å; W27-F77 AromaticContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ3-CZ 4.25Å; W27-Q79 HydrophobicContact CH2-CB 3.79Å; W27-Q79 HydrophobicContact CZ2-CB 4.18Å; W27-V88 HydrophobicContact CH2-CG1 3.91Å
28I95.2Very high91.9Very high77 Ų7774.2 Ų74.240%0.39539%0.386SS..EExtended strand (participates in β ladder)trans-107.6125.5175.8-54.2-179.9000108.7F17 Q18 D20 A30F17-I28 CarbonylContact C-O 3.57Å; F17-I28 VanDerWaalsContact CA-O 3.3Å; F17-I28 WeakPolarHBondContact CA-O 3.39Å; Q18-I28 PolarHBondContact N-O 3.19Å; Q18-I28 PolarHBondContact O-N 3.15Å; D20-I28 HydrophobicContact CB-CD1 3.59Å; D20-I28 HydrophobicContact CB-CG1 3.99Å; I28-A30 PolarHBondContact O-N 3.43Å
29P95.1Very high92Very high84 Ų8471.7 Ų71.755%0.54537%0.374SS..EExtended strand (participates in β ladder)trans-67.1128.5174.927-32.4000110.4F17F17-P29 HydrophobicContact CD1-CB 4.09Å; F17-P29 HydrophobicContact CE1-CB 4Å
30A90.9Very high92.2Very high32 Ų3272.1 Ų72.126%0.26438%0.375SS..SBendtrans-91.9-3.2-179.500000113.2V16 Q18 I28 I59V16-A30 HydrophobicContact CB-CB 4.26Å; V16-A30 HydrophobicContact CG1-CB 3.96Å; V16-A30 PolarHBondContact O-N 2.81Å; Q18-A30 HydrophobicContact CG-CB 4.49Å; I28-A30 PolarHBondContact O-N 3.43Å; A30-I59 HydrophobicContact CB-CG2 3.47Å; A30-I59 VanDerWaalsContact CB-CG2 3.47Å; A30-I59 WeakPolarHBondContact O-CD1 3.25Å
31G85.4Confident92.4Very high28 Ų2874.8 Ų74.829%0.28938%0.384SS..  trans-159.4157.7174.600000111.8
32K86.3Confident92.7Very high195 Ų19570.7 Ų70.785%0.84836%0.357SS*.SBendtrans-77.9-21.6-179.4-67.4-172.9179.2-176.60114.1
33H92.7Very high92.9Very high137 Ų13768.2 Ų68.263%0.63435%0.349SS*.SBendtrans-134.8166.1-175.9-53.4-60.5000109.8L35H33-L35 PolarHBondContact O-N 2.58Å
34A94.9Very high92.9Very high23 Ų2371.3 Ų71.319%0.1937%0.368CS..  trans-57133.9169.500000110.4R13 A14 H15R13-A34 PolarHBondContact NH2-O 3.03Å; A14-A34 CarbonylContact O-C 3.55Å; A14-A34 WeakPolarHBondContact O-CA 3.36Å; H15-A34 PolarHBondContact CD2-N 3.41Å; H15-A34 PolarHBondContact NE2-N 3.47Å
35L96.3Very high93.1Very high28 Ų2872.7 Ų72.715%0.14737%0.371CS..EExtended strand (participates in β ladder)trans-114.2160.5179.7-62176.1000110.1R13 A14 V16 H33 C52 I59R13-L35 WeakPolarHBondContact CA-O 3.44Å; A14-L35 PolarHBondContact N-O 2.99Å; A14-L35 PolarHBondContact O-N 3.41Å; V16-L35 HydrophobicContact CG2-CB 4.42Å; V16-L35 HydrophobicContact CG2-CD1 4.39Å; H33-L35 PolarHBondContact O-N 2.58Å; L35-C52 WeakPolarHBondContact CB-SG 3.37Å; L35-I59 HydrophobicContact CD1-CD1 3.38Å
36T96.8Very high93.3Very high65 Ų6564.1 Ų64.140%0.39934%0.341SS..EExtended strand (participates in β ladder)trans-79.3121173.6-54.60000109.2T12 R13 C52T12-T36 CarbonylContact O-C 3.57Å; T12-T36 WeakPolarHBondContact O-CA 3.48Å; R13-T36 WeakPolarHBondContact CD-OG1 3.48Å; R13-T36 PolarHBondContact NH1-OG1 2.96Å; T36-C52 PolarHBondContact O-SG 3Å
37V97.8Very high93.4Very high0 Ų061.4 Ų61.40%033%0.328CS..EExtended strand (participates in β ladder)trans-112.5126.5176.1-1730000107.7S11 T12 A14 V16 I50 C52 I60 L91 F102S11-V37 WeakPolarHBondContact CA-O 3.33Å; T12-V37 PolarHBondContact N-O 3.17Å; T12-V37 PolarHBondContact O-N 3.35Å; A14-V37 HydrophobicContact CB-CG2 4.35Å; V16-V37 HydrophobicContact CG2-CG2 4.05Å; V37-I50 HydrophobicContact CG1-CG2 3.67Å; V37-C52 HydrophobicContact CG2-CB 4.12Å; V37-I60 HydrophobicContact CG1-CD1 4.41Å; V37-L91 HydrophobicContact CG1-CD1 4.14Å; V37-L91 HydrophobicContact CG2-CD2 3.91Å; V37-F102 HydrophobicContact CG1-CE2 3.94Å; V37-F102 HydrophobicContact CG1-CZ 4.3Å
38S97.6Very high93.5Very high8 Ų859.2 Ų59.26%0.05632%0.32CS..EExtended strand (participates in β ladder)trans-135.6146.8-171.4-57.60000112.3F10 S11 F40 I50 I51F10-S38 CarbonylContact O-C 3.57Å; F10-S38 WeakPolarHBondContact O-CA 3.45Å; F10-S38 WeakPolarHBondContact O-CB 3.37Å; S11-S38 WeakPolarHBondContact CB-OG 3.36Å; S11-S38 WeakPolarHBondContact OG-CB 3.21Å; S11-S38 PolarHBondContact OG-OG 2.86Å; S38-F40 VanDerWaalsContact CB-CE2 3.44Å; S38-I50 WeakPolarHBondContact O-CA 3.37Å; S38-I51 PolarHBondContact N-O 3.44Å; S38-I51 PolarHBondContact O-N 3.23Å
39Y97.8Very high93.6Very high0 Ų056.9 Ų56.90%031%0.306CS..EExtended strand (participates in β ladder)trans-89.5133.8166.9-67.4-85.5000109.6P8 I9 F10 R49 I50 F102 K105 F106 V109P8-Y39 CarbonylContact C-O 3.47Å; P8-Y39 WeakPolarHBondContact CA-O 3.37Å; I9-Y39 PolarHBondContact N-O 2.98Å; F10-Y39 HydrophobicContact CB-CD2 4.11Å; F10-Y39 AromaticContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CD2 3.78Å; F10-Y39 HydrophobicContact CD1-CE2 4.04Å; F10-Y39 HydrophobicContact CG-CD2 4.36Å; F10-Y39 PolarHBondContact O-N 3.49Å; Y39-R49 CarbonylContact C-O 3.54Å; Y39-R49 WeakPolarHBondContact CA-O 3.36Å; Y39-I50 HydrophobicContact CD1-CD1 4.44Å; Y39-I50 HydrophobicContact CD1-CG1 3.68Å; Y39-I50 HydrophobicContact CE1-CD1 3.69Å; Y39-I50 HydrophobicContact CE1-CG1 3.43Å; Y39-I50 VanDerWaalsContact CE1-CG1 3.43Å; Y39-F102 HydrophobicContact CD2-CE2 4.47Å; Y39-F102 AromaticContact CE2-CD2 3.83Å; Y39-F102 HydrophobicContact CE2-CD2 3.83Å; Y39-F102 AromaticContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CZ 4.02Å; Y39-F102 AromaticContact CZ-CE2 3.79Å; Y39-F102 AromaticContact CZ-CZ 3.74Å; Y39-F102 VanDerWaalsContact OH-CE1 3.27Å; Y39-F102 WeakPolarHBondContact OH-CE1 3.29Å; Y39-F102 WeakPolarHBondContact OH-CZ 3.37Å; Y39-F102 PolarHBondContact OH-O 3.1Å; Y39-K105 HydrophobicContact CD2-CB 4.25Å; Y39-K105 HydrophobicContact CE2-CB 3.8Å; Y39-F106 HydrophobicContact CE1-CD2 4.33Å; Y39-F106 VanDerWaalsContact OH-CA 3.31Å; Y39-F106 WeakPolarHBondContact OH-CA 3.44Å; Y39-F106 VanDerWaalsContact OH-CB 3.26Å; Y39-F106 WeakPolarHBondContact OH-CB 3.28Å; Y39-F106 VanDerWaalsContact OH-CD2 3.31Å; Y39-F106 WeakPolarHBondContact OH-CD2 3.47Å; Y39-F106 PolarHBondContact OH-N 3.16Å; Y39-V109 HydrophobicContact CD1-CB 4.15Å; Y39-V109 HydrophobicContact CD1-CG1 4Å; Y39-V109 HydrophobicContact CD1-CG2 3.82Å; Y39-V109 HydrophobicContact CE1-CB 4.32Å; Y39-V109 HydrophobicContact CE1-CG1 4.4Å; Y39-V109 HydrophobicContact CE1-CG2 4.29Å; Y39-V109 HydrophobicContact CG-CG2 4.06Å
40F96.5Very high93.7Very high34 Ų3452.9 Ų52.915%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-125.7148176.1-71.4-91.5000109.9E6 P8 S38 Y48 R49 I51E6-F40 HydrophobicContact CB-CD1 4.08Å; E6-F40 WeakPolarHBondContact O-CE1 3.43Å; P8-F40 HydrophobicContact CB-CD1 4.25Å; P8-F40 HydrophobicContact CB-CE1 3.73Å; P8-F40 HydrophobicContact CB-CE2 4.23Å; P8-F40 HydrophobicContact CB-CZ 3.73Å; P8-F40 HydrophobicContact CG-CE1 4.25Å; P8-F40 HydrophobicContact CG-CZ 4.31Å; S38-F40 VanDerWaalsContact CB-CE2 3.44Å; F40-Y48 CarbonylContact O-C 3.59Å; F40-Y48 WeakPolarHBondContact O-CA 3.33Å; F40-R49 PolarHBondContact N-O 3.18Å; F40-R49 PolarHBondContact O-N 3.33Å; F40-I51 HydrophobicContact CB-CD1 4.2Å; F40-I51 HydrophobicContact CD2-CB 3.73Å; F40-I51 HydrophobicContact CD2-CD1 3.67Å; F40-I51 HydrophobicContact CD2-CG1 3.81Å; F40-I51 HydrophobicContact CE2-CB 3.81Å; F40-I51 HydrophobicContact CE2-CD1 4.24Å; F40-I51 HydrophobicContact CE2-CG1 4.36Å; F40-I51 HydrophobicContact CE2-CG2 4.41Å; F40-I51 HydrophobicContact CG-CD1 4.06Å
41Y95.1Very high94Very high83 Ų8352.5 Ų52.533%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-105.2121.9165.3174.1-114.5000109A43 N46 Y48Y41-A43 HydrophobicContact CD1-CB 4.34Å; Y41-A43 HydrophobicContact CE1-CB 3.89Å; Y41-N46 PolarHBondContact OH-OD1 2.82Å; Y41-Y48 AromaticContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD2 4.03Å; Y41-Y48 AromaticContact CD2-CE1 3.6Å; Y41-Y48 HydrophobicContact CD2-CE1 3.6Å; Y41-Y48 AromaticContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CG 4.13Å; Y41-Y48 AromaticContact CD2-CZ 3.46Å; Y41-Y48 VanDerWaalsContact CD2-CZ 3.46Å; Y41-Y48 HydrophobicContact CE2-CD2 4.49Å; Y41-Y48 AromaticContact CE2-CE2 3.93Å; Y41-Y48 HydrophobicContact CE2-CE2 3.93Å; Y41-Y48 AromaticContact CE2-CZ 3.94Å; Y41-Y48 HydrophobicContact CG-CD1 4.38Å; Y41-Y48 AromaticContact CG-CE1 3.97Å; Y41-Y48 HydrophobicContact CG-CE1 3.97Å
42D92.9Very high94.5Very high4 Ų451.2 Ų51.22%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-94100174.2-177.4-28.5000108.3E6 T44 R45 N46 V47 R49E6-D42 WeakPolarHBondContact OE1-CA 3.41Å; D42-T44 PolarHBondContact O-N 3.32Å; D42-T44 WeakPolarHBondContact OD1-CB 3.32Å; D42-T44 PolarHBondContact OD1-N 3.03Å; D42-T44 PolarHBondContact OD1-OG1 2.93Å; D42-R45 PolarHBondContact O-N 2.75Å; D42-R45 PolarHBondContact OD1-N 3.47Å; D42-R45 IonicContact OD2-CZ 3.17Å; D42-R45 IonicContact OD2-NE 2.76Å; D42-R45 PolarHBondContact OD2-NE 3.43Å; D42-R45 IonicContact OD2-NH2 2.7Å; D42-R45 PolarHBondContact OD2-NH2 3.04Å; D42-N46 VanDerWaalsContact O-CA 3.3Å; D42-N46 WeakPolarHBondContact O-CA 3.37Å; D42-N46 PolarHBondContact O-N 3.1Å; D42-V47 HydrophobicContact CB-CG2 4.12Å; D42-V47 PolarHBondContact N-O 2.88Å; D42-V47 PolarHBondContact O-N 2.91Å; D42-R49 IonicContact OD2-CZ 3.43Å; D42-R49 IonicContact OD2-NE 3.81Å; D42-R49 IonicContact OD2-NH2 3.19Å; D42-R49 PolarHBondContact OD2-NH2 3.25Å
43A89.4Confident94.8Very high71 Ų7146.1 Ų46.159%0.58724%0.241SC*.THydrogen-bonded Turntrans-65.3-26.9-17900000112.5Y41Y41-A43 HydrophobicContact CD1-CB 4.34Å; Y41-A43 HydrophobicContact CE1-CB 3.89Å
44T89.5Confident94.6Very high126 Ų12640.5 Ų40.577%0.77322%0.22SC*.THydrogen-bonded Turntrans-72.2-36.5-178.967.50000112D42D42-T44 PolarHBondContact O-N 3.32Å; D42-T44 WeakPolarHBondContact OD1-CB 3.32Å; D42-T44 PolarHBondContact OD1-N 3.03Å; D42-T44 PolarHBondContact OD1-OG1 2.93Å
45R89.9Confident94Very high128 Ų12843.1 Ų43.148%0.48325%0.25SC..THydrogen-bonded Turntrans-100.5-3.1178.5-69.6-175-66.5177.5-1.8113.3D42 V47D42-R45 PolarHBondContact O-N 2.75Å; D42-R45 PolarHBondContact OD1-N 3.47Å; D42-R45 IonicContact OD2-CZ 3.17Å; D42-R45 IonicContact OD2-NE 2.76Å; D42-R45 PolarHBondContact OD2-NE 3.43Å; D42-R45 IonicContact OD2-NH2 2.7Å; D42-R45 PolarHBondContact OD2-NH2 3.04Å; R45-V47 VanDerWaalsContact C-N 3.27Å; R45-V47 HydrophobicContact CB-CG2 3.75Å; R45-V47 WeakPolarHBondContact O-CG1 3.48Å; R45-V47 PolarHBondContact O-N 3.18Å
46N92.5Very high93.4Very high38 Ų3847.2 Ų47.220%0.20329%0.287CS..THydrogen-bonded Turntrans49.447.1-173.4-167.529.5000112.4Y41 D42 A116 S120Y41-N46 PolarHBondContact OH-OD1 2.82Å; D42-N46 VanDerWaalsContact O-CA 3.3Å; D42-N46 WeakPolarHBondContact O-CA 3.37Å; D42-N46 PolarHBondContact O-N 3.1Å; N46-A116 PolarHBondContact ND2-O 3.35Å; N46-S120 PolarHBondContact ND2-OG 2.88Å
47V94.4Very high93.1Very high37 Ų3751.7 Ų51.722%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-133.8153-179-66.60000112D42 R45 R49 T63D42-V47 HydrophobicContact CB-CG2 4.12Å; D42-V47 PolarHBondContact N-O 2.88Å; D42-V47 PolarHBondContact O-N 2.91Å; R45-V47 VanDerWaalsContact C-N 3.27Å; R45-V47 HydrophobicContact CB-CG2 3.75Å; R45-V47 WeakPolarHBondContact O-CG1 3.48Å; R45-V47 PolarHBondContact O-N 3.18Å; V47-R49 HydrophobicContact CG2-CG 4.31Å; V47-T63 HydrophobicContact CB-CG2 3.97Å; V47-T63 HydrophobicContact CG1-CG2 4.21Å; V47-T63 HydrophobicContact CG2-CG2 4.26Å
48Y96.4Very high92.7Very high45 Ų4554 Ų5418%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-97.4143172.2-64.2-95.7000110.9I9 F40 Y41 V64 V109 A112 A113 A116I9-Y48 HydrophobicContact CD1-CD1 3.76Å; I9-Y48 HydrophobicContact CD1-CE1 3.74Å; F40-Y48 CarbonylContact O-C 3.59Å; F40-Y48 WeakPolarHBondContact O-CA 3.33Å; Y41-Y48 AromaticContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD1 3.93Å; Y41-Y48 HydrophobicContact CD2-CD2 4.03Å; Y41-Y48 AromaticContact CD2-CE1 3.6Å; Y41-Y48 HydrophobicContact CD2-CE1 3.6Å; Y41-Y48 AromaticContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CE2 3.69Å; Y41-Y48 HydrophobicContact CD2-CG 4.13Å; Y41-Y48 AromaticContact CD2-CZ 3.46Å; Y41-Y48 VanDerWaalsContact CD2-CZ 3.46Å; Y41-Y48 HydrophobicContact CE2-CD2 4.49Å; Y41-Y48 AromaticContact CE2-CE2 3.93Å; Y41-Y48 HydrophobicContact CE2-CE2 3.93Å; Y41-Y48 AromaticContact CE2-CZ 3.94Å; Y41-Y48 HydrophobicContact CG-CD1 4.38Å; Y41-Y48 AromaticContact CG-CE1 3.97Å; Y41-Y48 HydrophobicContact CG-CE1 3.97Å; Y48-V64 PolarHBondContact O-N 3.47Å; Y48-V109 HydrophobicContact CD1-CG1 3.89Å; Y48-V109 HydrophobicContact CG-CG1 3.71Å; Y48-A112 HydrophobicContact CD2-CB 4.3Å; Y48-A112 HydrophobicContact CE1-CB 4.17Å; Y48-A112 HydrophobicContact CE2-CB 3.62Å; Y48-A113 HydrophobicContact CD2-CB 4.01Å; Y48-A116 HydrophobicContact CE2-CB 4.31Å
49R96.8Very high92.6Very high29 Ų2955.1 Ų55.111%0.10933%0.326CS..EExtended strand (participates in β ladder)trans-135.8140.6-175.4-60.7-175-71.5165.7-10.2111.8E6 Y39 F40 D42 V47 I51 S62E6-R49 IonicContact OE1-NH2 3.43Å; E6-R49 PolarHBondContact OE1-NH2 3.36Å; E6-R49 IonicContact OE2-CZ 3.93Å; E6-R49 IonicContact OE2-NH2 2.81Å; E6-R49 PolarHBondContact OE2-NH2 3.33Å; Y39-R49 CarbonylContact C-O 3.54Å; Y39-R49 WeakPolarHBondContact CA-O 3.36Å; F40-R49 PolarHBondContact N-O 3.18Å; F40-R49 PolarHBondContact O-N 3.33Å; D42-R49 IonicContact OD2-CZ 3.43Å; D42-R49 IonicContact OD2-NE 3.81Å; D42-R49 IonicContact OD2-NH2 3.19Å; D42-R49 PolarHBondContact OD2-NH2 3.25Å; V47-R49 HydrophobicContact CG2-CG 4.31Å; R49-I51 HydrophobicContact CB-CD1 4.27Å; R49-I51 HydrophobicContact CB-CG1 4.04Å; R49-S62 CarbonylContact C-O 3.53Å; R49-S62 WeakPolarHBondContact CA-O 3.11Å
50I97.9Very high92.5Very high0 Ų055.1 Ų55.10%033%0.326CS..EExtended strand (participates in β ladder)trans-92.4121.2164.9-53.7174.8000107V37 S38 Y39 I60 N61 S62 V64 W80 F102 F106V37-I50 HydrophobicContact CG1-CG2 3.67Å; S38-I50 WeakPolarHBondContact O-CA 3.37Å; Y39-I50 HydrophobicContact CD1-CD1 4.44Å; Y39-I50 HydrophobicContact CD1-CG1 3.68Å; Y39-I50 HydrophobicContact CE1-CD1 3.69Å; Y39-I50 HydrophobicContact CE1-CG1 3.43Å; Y39-I50 VanDerWaalsContact CE1-CG1 3.43Å; I50-I60 HydrophobicContact CB-CG2 4.32Å; I50-I60 HydrophobicContact CG2-CG2 4.07Å; I50-I60 WeakPolarHBondContact O-CG2 3.3Å; I50-N61 WeakPolarHBondContact O-CA 3.32Å; I50-S62 PolarHBondContact N-O 3.31Å; I50-S62 PolarHBondContact O-N 3.5Å; I50-V64 HydrophobicContact CD1-CG2 4.1Å; I50-V64 HydrophobicContact CG1-CG2 3.8Å; I50-W80 HydrophobicContact CB-CZ2 4.38Å; I50-W80 HydrophobicContact CD1-CD2 4.5Å; I50-W80 HydrophobicContact CD1-CH2 4.31Å; I50-W80 HydrophobicContact CD1-CZ2 3.86Å; I50-W80 HydrophobicContact CG2-CH2 4.16Å; I50-W80 HydrophobicContact CG2-CZ2 4.14Å; I50-F102 HydrophobicContact CD1-CZ 4.37Å; I50-F102 HydrophobicContact CG2-CZ 4.37Å; I50-F106 HydrophobicContact CD1-CD2 3.87Å; I50-F106 HydrophobicContact CD1-CE2 3.6Å
51I96.5Very high92.5Very high23 Ų2357.4 Ų57.412%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-124.7133.7-178.2-55-178.6000109.5S38 F40 R49 I53 I60S38-I51 PolarHBondContact N-O 3.44Å; S38-I51 PolarHBondContact O-N 3.23Å; F40-I51 HydrophobicContact CB-CD1 4.2Å; F40-I51 HydrophobicContact CD2-CB 3.73Å; F40-I51 HydrophobicContact CD2-CD1 3.67Å; F40-I51 HydrophobicContact CD2-CG1 3.81Å; F40-I51 HydrophobicContact CE2-CB 3.81Å; F40-I51 HydrophobicContact CE2-CD1 4.24Å; F40-I51 HydrophobicContact CE2-CG1 4.36Å; F40-I51 HydrophobicContact CE2-CG2 4.41Å; F40-I51 HydrophobicContact CG-CD1 4.06Å; R49-I51 HydrophobicContact CB-CD1 4.27Å; R49-I51 HydrophobicContact CB-CG1 4.04Å; I51-I53 HydrophobicContact CG2-CD1 3.74Å; I51-I53 HydrophobicContact CG2-CG1 4.21Å; I51-I60 WeakPolarHBondContact CA-O 3.15Å
52C96.1Very high92.6Very high1 Ų153.5 Ų53.51%0.00732%0.324CS..EExtended strand (participates in β ladder)trans-135.5126.6169.8178.20000108.8L35 T36 V37 I59 I60L35-C52 WeakPolarHBondContact CB-SG 3.37Å; T36-C52 PolarHBondContact O-SG 3Å; V37-C52 HydrophobicContact CG2-CB 4.12Å; C52-I59 PolarHBondContact O-N 2.85Å; C52-I60 HydrophobicContact CB-CB 3.77Å; C52-I60 HydrophobicContact CB-CD1 3.7Å; C52-I60 HydrophobicContact CB-CG1 3.83Å; C52-I60 PolarHBondContact N-O 2.99Å; C52-I60 PolarHBondContact O-N 2.65Å
53I93.1Very high92.8Very high88 Ų8854.2 Ų54.245%0.45133%0.328SS..EExtended strand (participates in β ladder)trans-107.5128.3178.6-51.9-57000109I51 G55 A58I51-I53 HydrophobicContact CG2-CD1 3.74Å; I51-I53 HydrophobicContact CG2-CG1 4.21Å; I53-G55 WeakPolarHBondContact CG2-O 3.4Å; I53-A58 HydrophobicContact CD1-CB 3.75Å
54G87.9Confident93.1Very high20 Ų2051 Ų5121%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-117.7113.317000000110.4A56 K57G54-A56 PolarHBondContact O-N 2.84Å; G54-K57 PolarHBondContact N-O 2.82Å; G54-K57 PolarHBondContact O-N 2.8Å; G54-K57 VanDerWaalsContact O-N 3.17Å
55G84Confident93.4Very high78 Ų7847.8 Ų47.880%0.80428%0.282SS*.THydrogen-bonded Turntrans61.2-123.3-17100000110.6I53I53-G55 WeakPolarHBondContact CG2-O 3.4Å
56A83.4Confident93.5Very high114 Ų11443.1 Ų43.194%0.94227%0.268SS*.THydrogen-bonded Turntrans-93.90.7178.300000114.2G54G54-A56 PolarHBondContact O-N 2.84Å
57K88.8Confident93.5Very high159 Ų15948.6 Ų48.669%0.69130%0.298SS*.EExtended strand (participates in β ladder)trans-114.9137.2-172.5-171.7176.6177-178.40111.8G54 I59G54-K57 PolarHBondContact N-O 2.82Å; G54-K57 PolarHBondContact O-N 2.8Å; G54-K57 VanDerWaalsContact O-N 3.17Å; K57-I59 PolarHBondContact O-N 2.9Å
58A91.1Very high93.5Very high49 Ų4947.6 Ų47.641%0.40529%0.29SS..EExtended strand (participates in β ladder)trans-70.4117166.200000109.7I53I53-A58 HydrophobicContact CD1-CB 3.75Å
59I94.2Very high93.5Very high31 Ų3149.4 Ų49.416%0.15931%0.306CS..EExtended strand (participates in β ladder)trans-89.5-40.7177.6-67.3169.6000110.3V16 Q18 A30 L35 C52 K57V16-I59 HydrophobicContact CG1-CG2 3.96Å; Q18-I59 PolarHBondContact NE2-O 3.3Å; A30-I59 HydrophobicContact CB-CG2 3.47Å; A30-I59 VanDerWaalsContact CB-CG2 3.47Å; A30-I59 WeakPolarHBondContact O-CD1 3.25Å; L35-I59 HydrophobicContact CD1-CD1 3.38Å; C52-I59 PolarHBondContact O-N 2.85Å; K57-I59 PolarHBondContact O-N 2.9Å
60I96.6Very high93.6Very high0 Ų048.7 Ų48.70%030%0.304CS..EExtended strand (participates in β ladder)trans-118.4130.4171.1-54.6168.2000107.1V16 V37 I50 I51 C52 W80 Y89 L91V16-I60 HydrophobicContact CB-CD1 4.46Å; V16-I60 HydrophobicContact CG1-CD1 3.53Å; V16-I60 HydrophobicContact CG1-CG1 3.85Å; V16-I60 HydrophobicContact CG2-CD1 4.05Å; V37-I60 HydrophobicContact CG1-CD1 4.41Å; I50-I60 HydrophobicContact CB-CG2 4.32Å; I50-I60 HydrophobicContact CG2-CG2 4.07Å; I50-I60 WeakPolarHBondContact O-CG2 3.3Å; I51-I60 WeakPolarHBondContact CA-O 3.15Å; C52-I60 HydrophobicContact CB-CB 3.77Å; C52-I60 HydrophobicContact CB-CD1 3.7Å; C52-I60 HydrophobicContact CB-CG1 3.83Å; C52-I60 PolarHBondContact N-O 2.99Å; C52-I60 PolarHBondContact O-N 2.65Å; I60-W80 HydrophobicContact CD1-CH2 4.05Å; I60-W80 HydrophobicContact CG2-CH2 4.33Å; I60-W80 HydrophobicContact CG2-CZ2 3.88Å; I60-Y89 HydrophobicContact CB-CE1 4.41Å; I60-Y89 HydrophobicContact CD1-CD1 4.48Å; I60-Y89 HydrophobicContact CG1-CD1 3.84Å; I60-Y89 HydrophobicContact CG1-CE1 3.97Å; I60-Y89 HydrophobicContact CG2-CD1 4.42Å; I60-Y89 HydrophobicContact CG2-CE1 4.31Å; I60-Y89 HydrophobicContact CG2-CE2 4.43Å; I60-L91 HydrophobicContact CD1-CD2 4.06Å
61N95.6Very high93.6Very high82 Ų8252 Ų5244%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-144.970.3167.3-176.613.4000107.3I50I50-N61 WeakPolarHBondContact O-CA 3.32Å
62S97.3Very high93.7Very high0 Ų055.6 Ų55.60%034%0.339CS..EExtended strand (participates in β ladder)trans-100.9122.7-171.7-174.90000109.7R49 I50 W80 D82R49-S62 CarbonylContact C-O 3.53Å; R49-S62 WeakPolarHBondContact CA-O 3.11Å; I50-S62 PolarHBondContact N-O 3.31Å; I50-S62 PolarHBondContact O-N 3.5Å; S62-W80 PolarHBondContact OG-NE1 2.94Å; S62-D82 VanDerWaalsContact CA-OD2 3.28Å; S62-D82 WeakPolarHBondContact CA-OD2 3.34Å; S62-D82 WeakPolarHBondContact CB-OD2 3.44Å; S62-D82 PolarHBondContact OG-OD2 3.39Å
63T96.7Very high93.7Very high19 Ų1959 Ų5912%0.11736%0.36CS..EExtended strand (participates in β ladder)trans-83.1120.3174.8-60.40000109.3V47 T65 M68V47-T63 HydrophobicContact CB-CG2 3.97Å; V47-T63 HydrophobicContact CG1-CG2 4.21Å; V47-T63 HydrophobicContact CG2-CG2 4.26Å; T63-T65 PolarHBondContact O-N 2.94Å; T63-M68 WeakPolarHBondContact O-CE 3.25Å; T63-M68 VanDerWaalsContact O-SD 3.37Å
64V97Very high93.8Very high5 Ų558 Ų583%0.0336%0.361CS..PPolyproline II helixtrans-71.6123.3-179.5-174.20000109Y48 I50 V109 K110Y48-V64 PolarHBondContact O-N 3.47Å; I50-V64 HydrophobicContact CD1-CG2 4.1Å; I50-V64 HydrophobicContact CG1-CG2 3.8Å; V64-V109 HydrophobicContact CB-CG1 4.09Å; V64-V109 HydrophobicContact CG1-CG1 4.16Å; V64-V109 HydrophobicContact CG2-CG1 3.91Å; V64-K110 HydrophobicContact CG1-CB 4.29Å
65T94.9Very high94.1Very high57 Ų5763 Ų6335%0.3538%0.379SS..  trans-112.7156.3175.771.70000110.9T63 N67 M68T63-T65 PolarHBondContact O-N 2.94Å; T65-N67 PolarHBondContact O-N 3.5Å; T65-N67 VanDerWaalsContact O-N 3.07Å; T65-M68 HydrophobicContact CG2-CE 4.29Å; T65-M68 PolarHBondContact N-SD 3.46Å; T65-M68 WeakPolarHBondContact O-CB 3.37Å; T65-M68 PolarHBondContact O-N 3.31Å; T65-M68 WeakPolarHBondContact OG1-CG 3.47Å
66P92.5Very high94.8Very high31 Ų3163.9 Ų63.920%0.20136%0.361CS..THydrogen-bonded Turntrans-58.7-25.2-176.9-27.136.5000114.6K110 R114P66-K110 WeakPolarHBondContact O-CD 3.13Å; P66-R114 HydrophobicContact CB-CB 4.3Å; P66-R114 HydrophobicContact CB-CG 4.42Å; P66-R114 HydrophobicContact CG-CB 4.15Å; P66-R114 HydrophobicContact CG-CG 4.45Å
67N91.6Very high95.5Very high153 Ų15360.1 Ų60.182%0.81832%0.323SS*.THydrogen-bonded Turntrans-94.61-178.2-61.3-6.7000112.9T65T65-N67 PolarHBondContact O-N 3.5Å; T65-N67 VanDerWaalsContact O-N 3.07Å
68M95.6Very high96Very high15 Ų1552.6 Ų52.67%0.07429%0.29CS..  trans-75.2144.2174.3-79.6178.5176.900111T63 T65 D82 F106 K110T63-M68 WeakPolarHBondContact O-CE 3.25Å; T63-M68 VanDerWaalsContact O-SD 3.37Å; T65-M68 HydrophobicContact CG2-CE 4.29Å; T65-M68 PolarHBondContact N-SD 3.46Å; T65-M68 WeakPolarHBondContact O-CB 3.37Å; T65-M68 PolarHBondContact O-N 3.31Å; T65-M68 WeakPolarHBondContact OG1-CG 3.47Å; M68-D82 HydrophobicContact CE-CB 4.11Å; M68-F106 HydrophobicContact CB-CE1 4.15Å; M68-F106 HydrophobicContact CB-CZ 3.91Å; M68-K110 VanDerWaalsContact O-CD 3.28Å; M68-K110 WeakPolarHBondContact O-CD 3.45Å
69T96.8Very high96.3Very high83 Ų8352.8 Ų52.851%0.50928%0.283SS..  trans-127.4132177.4-58.40000109.7W80T69-W80 VanDerWaalsContact O-CB 3.27Å; T69-W80 WeakPolarHBondContact O-CB 3.45Å
70F98.3Very high96.5Very high14 Ų1451.5 Ų51.56%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-97.2117.8168-176.9-95.2000109.5K72 Q79 W80 F93 L99 F102 A103 F106F70-K72 HydrophobicContact CE1-CG 4.36Å; F70-Q79 CarbonylContact C-O 3.49Å; F70-Q79 WeakPolarHBondContact CA-O 3.44Å; F70-W80 HydrophobicContact CD2-CB 4.37Å; F70-W80 AromaticContact CD2-CE3 3.82Å; F70-W80 HydrophobicContact CD2-CE3 3.82Å; F70-W80 AromaticContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CZ3 4.32Å; F70-F93 HydrophobicContact CZ-CE2 4.35Å; F70-L99 HydrophobicContact CE1-CD1 3.79Å; F70-L99 HydrophobicContact CZ-CD1 3.83Å; F70-F102 HydrophobicContact CD2-CD1 4.24Å; F70-F102 AromaticContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CE1-CD1 4.18Å; F70-F102 AromaticContact CE2-CD1 3.73Å; F70-F102 HydrophobicContact CE2-CD1 3.73Å; F70-F102 AromaticContact CE2-CE1 3.59Å; F70-F102 HydrophobicContact CE2-CE1 3.59Å; F70-F102 AromaticContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CE1 4.06Å; F70-A103 HydrophobicContact CD1-CB 3.68Å; F70-A103 HydrophobicContact CE1-CB 3.82Å; F70-F106 HydrophobicContact CB-CB 4.09Å; F70-F106 HydrophobicContact CB-CD1 3.66Å; F70-F106 HydrophobicContact CB-CD2 3.72Å; F70-F106 HydrophobicContact CB-CE1 3.95Å; F70-F106 HydrophobicContact CB-CE2 4Å; F70-F106 HydrophobicContact CB-CG 3.55Å; F70-F106 HydrophobicContact CB-CZ 4.11Å; F70-F106 HydrophobicContact CD2-CD2 4.22Å; F70-F106 HydrophobicContact CD2-CE2 4.47Å; F70-F106 HydrophobicContact CG-CD2 4.22Å; F70-F106 HydrophobicContact CG-CG 4.3Å
71T97.8Very high96.5Very high70 Ų7054 Ų5443%0.42930%0.297SS..EExtended strand (participates in β ladder)trans-108.5124.8-176.8-540000109.8T73 G78 Q79T71-T73 HydrophobicContact CG2-CG2 4.05Å; T71-G78 CarbonylContact O-C 3.57Å; T71-G78 WeakPolarHBondContact O-CA 3.09Å; T71-Q79 PolarHBondContact N-O 3.45Å; T71-Q79 PolarHBondContact O-N 3.37Å
72K98.1Very high96.5Very high98 Ų9850.2 Ų50.243%0.42628%0.277SS..EExtended strand (participates in β ladder)trans-77.3120.2170.1-58-178.2-173.6179.60108.2F70 L99 T100 A103F70-K72 HydrophobicContact CE1-CG 4.36Å; K72-L99 HydrophobicContact CB-CD2 4.31Å; K72-L99 HydrophobicContact CD-CD2 4.15Å; K72-L99 HydrophobicContact CD-CG 4.24Å; K72-L99 HydrophobicContact CG-CD1 4.28Å; K72-L99 HydrophobicContact CG-CD2 4.13Å; K72-L99 HydrophobicContact CG-CG 4.2Å; K72-T100 PolarHBondContact NZ-OG1 3.41Å; K72-A103 VanDerWaalsContact CE-CB 3.47Å
73T96.2Very high96.3Very high74 Ų7455.6 Ų55.645%0.45431%0.314SS..EExtended strand (participates in β ladder)trans-114.1-6.1-178.4530000113.3T71 F77 Q79T71-T73 HydrophobicContact CG2-CG2 4.05Å; T73-F77 PolarHBondContact N-O 2.97Å; T73-F77 VanDerWaalsContact OG1-CD1 3.29Å; T73-F77 WeakPolarHBondContact OG1-CD1 3.19Å; T73-Q79 HydrophobicContact CG2-CG 4.11Å; T73-Q79 PolarHBondContact OG1-OE1 3.27Å
74S96.2Very high96.1Very high66 Ų6664.4 Ų64.446%0.46235%0.345SS..EExtended strand (participates in β ladder)trans-153.1-178.8163.382.70000110.7K76 F77 L99S74-K76 PolarHBondContact O-N 2.83Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-K76 PolarHBondContact OG-N 3.45Å; S74-F77 PolarHBondContact N-O 3.49Å; S74-F77 VanDerWaalsContact N-O 3.15Å; S74-F77 WeakPolarHBondContact OG-CB 3.37Å; S74-F77 PolarHBondContact OG-N 2.92Å; S74-L99 WeakPolarHBondContact O-CD2 3.44Å
75Q94.2Very high95.8Very high126 Ų12666.4 Ų66.459%0.58936%0.362SS*.THydrogen-bonded Turntrans-56.5-30178.9-170.8176.132.400113.6E96 L99Q75-E96 HydrophobicContact CG-CB 4.01Å; Q75-E96 HydrophobicContact CG-CG 4.13Å; Q75-E96 WeakPolarHBondContact CG-OE2 3.47Å; Q75-E96 PolarHBondContact NE2-OE2 3.28Å; Q75-E96 WeakPolarHBondContact O-CA 3.48Å; Q75-E96 WeakPolarHBondContact O-CB 3.21Å; Q75-L99 WeakPolarHBondContact O-CD2 3.41Å
76K97.9Very high95.7Very high96 Ų9669.4 Ų69.442%0.41738%0.376SS..THydrogen-bonded Turntrans-131.211.8-176-61.2-169.4-64.7-177.70113.4S74 G92 F93 A94S74-K76 PolarHBondContact O-N 2.83Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-K76 PolarHBondContact OG-N 3.45Å; K76-G92 CarbonylContact O-C 3.53Å; K76-G92 WeakPolarHBondContact O-CA 3.35Å; K76-F93 PolarHBondContact O-N 2.93Å; K76-A94 WeakPolarHBondContact CD-O 3.38Å
77F98.4Very high95.9Very high35 Ų3568.8 Ų68.815%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-131.4136.5-177.2-170-88.8000111.5F17 W27 T73 S74 Q79 L91F17-F77 AromaticContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CD2-CE2 3.66Å; F17-F77 HydrophobicContact CE2-CE2 4.11Å; F17-F77 HydrophobicContact CG-CE2 4.22Å; W27-F77 HydrophobicContact CD2-CZ 4.06Å; W27-F77 AromaticContact CE2-CZ 3.91Å; W27-F77 HydrophobicContact CE3-CZ 4.23Å; W27-F77 HydrophobicContact CH2-CE1 4.23Å; W27-F77 HydrophobicContact CH2-CZ 4.09Å; W27-F77 AromaticContact CZ2-CE1 3.82Å; W27-F77 HydrophobicContact CZ2-CE1 3.82Å; W27-F77 AromaticContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ2-CZ 3.94Å; W27-F77 HydrophobicContact CZ3-CZ 4.25Å; T73-F77 PolarHBondContact N-O 2.97Å; T73-F77 VanDerWaalsContact OG1-CD1 3.29Å; T73-F77 WeakPolarHBondContact OG1-CD1 3.19Å; S74-F77 PolarHBondContact N-O 3.49Å; S74-F77 VanDerWaalsContact N-O 3.15Å; S74-F77 WeakPolarHBondContact OG-CB 3.37Å; S74-F77 PolarHBondContact OG-N 2.92Å; F77-Q79 HydrophobicContact CE1-CB 4.49Å; F77-L91 WeakPolarHBondContact CA-O 3.38Å; F77-L91 WeakPolarHBondContact CD2-O 3.28Å
78G98.2Very high96.1Very high0 Ų063 Ų630%034%0.342CS..EExtended strand (participates in β ladder)trans-145.5163173.500000112T71 G90 L91T71-G78 CarbonylContact O-C 3.57Å; T71-G78 WeakPolarHBondContact O-CA 3.09Å; G78-G90 CarbonylContact O-C 3.56Å; G78-G90 WeakPolarHBondContact O-CA 3.5Å; G78-L91 PolarHBondContact N-O 3.44Å; G78-L91 VanDerWaalsContact N-O 3.12Å; G78-L91 PolarHBondContact O-N 2.85Å
79Q98.1Very high96.2Very high54 Ų5463 Ų6325%0.25234%0.341SS..EExtended strand (participates in β ladder)trans-144.6156.7-171.262.8-175.277.100112.5W27 F70 T71 T73 F77 V88 Y89W27-Q79 HydrophobicContact CH2-CB 3.79Å; W27-Q79 HydrophobicContact CZ2-CB 4.18Å; F70-Q79 CarbonylContact C-O 3.49Å; F70-Q79 WeakPolarHBondContact CA-O 3.44Å; T71-Q79 PolarHBondContact N-O 3.45Å; T71-Q79 PolarHBondContact O-N 3.37Å; T73-Q79 HydrophobicContact CG2-CG 4.11Å; T73-Q79 PolarHBondContact OG1-OE1 3.27Å; F77-Q79 HydrophobicContact CE1-CB 4.49Å; Q79-V88 HydrophobicContact CB-CG1 4.37Å; Q79-Y89 CarbonylContact C-O 3.58Å; Q79-Y89 WeakPolarHBondContact CA-O 3.48Å; Q79-Y89 VanDerWaalsContact CB-O 3.29Å; Q79-Y89 WeakPolarHBondContact CB-O 3.45Å
80W98.3Very high96.3Very high3 Ų359 Ų591%0.01132%0.317CS..EExtended strand (participates in β ladder)trans-142.4150.4166.673.5102000110.5I50 I60 S62 T69 F70 V88 Y89 L91 F102 F106I50-W80 HydrophobicContact CB-CZ2 4.38Å; I50-W80 HydrophobicContact CD1-CD2 4.5Å; I50-W80 HydrophobicContact CD1-CH2 4.31Å; I50-W80 HydrophobicContact CD1-CZ2 3.86Å; I50-W80 HydrophobicContact CG2-CH2 4.16Å; I50-W80 HydrophobicContact CG2-CZ2 4.14Å; I60-W80 HydrophobicContact CD1-CH2 4.05Å; I60-W80 HydrophobicContact CG2-CH2 4.33Å; I60-W80 HydrophobicContact CG2-CZ2 3.88Å; S62-W80 PolarHBondContact OG-NE1 2.94Å; T69-W80 VanDerWaalsContact O-CB 3.27Å; T69-W80 WeakPolarHBondContact O-CB 3.45Å; F70-W80 HydrophobicContact CD2-CB 4.37Å; F70-W80 AromaticContact CD2-CE3 3.82Å; F70-W80 HydrophobicContact CD2-CE3 3.82Å; F70-W80 AromaticContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CE3 3.95Å; F70-W80 HydrophobicContact CE2-CZ3 4.32Å; W80-V88 WeakPolarHBondContact O-CA 3.49Å; W80-V88 WeakPolarHBondContact O-CG1 3.35Å; W80-Y89 AromaticContact CE2-CD2 3.65Å; W80-Y89 VanDerWaalsContact CH2-CB 3.48Å; W80-Y89 HydrophobicContact CH2-CD2 4.47Å; W80-Y89 HydrophobicContact CH2-CG 4.12Å; W80-Y89 VanDerWaalsContact CZ2-CB 3.46Å; W80-Y89 AromaticContact CZ2-CD2 3.62Å; W80-Y89 HydrophobicContact CZ2-CD2 3.62Å; W80-Y89 AromaticContact CZ2-CG 3.7Å; W80-Y89 HydrophobicContact CZ2-CG 3.7Å; W80-Y89 PolarHBondContact N-O 3.49Å; W80-Y89 AromaticContact NE1-CD2 3.68Å; W80-Y89 PolarHBondContact O-N 2.8Å; W80-L91 HydrophobicContact CH2-CD1 4.07Å; W80-L91 HydrophobicContact CH2-CG 4.28Å; W80-L91 HydrophobicContact CZ3-CD1 3.64Å; W80-L91 HydrophobicContact CZ3-CG 3.78Å; W80-F102 HydrophobicContact CZ3-CE1 4.43Å; W80-F106 HydrophobicContact CB-CE2 4.22Å; W80-F106 HydrophobicContact CB-CZ 4.19Å; W80-F106 HydrophobicContact CD2-CE2 4.32Å; W80-F106 HydrophobicContact CG-CE2 4.04Å; W80-F106 HydrophobicContact CG-CZ 4.32Å
81A96.8Very high96.3Very high53 Ų5358.3 Ų58.344%0.43831%0.314SS..EExtended strand (participates in β ladder)trans-89.9134.4172.600000110.1V88A81-V88 HydrophobicContact CB-CG2 4.18Å
82D96.1Very high96.3Very high3 Ų355.6 Ų55.62%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-114.798.9171.4-172.7-24.5000109.7S62 M68 R84 A85 N86 T87 Y89S62-D82 VanDerWaalsContact CA-OD2 3.28Å; S62-D82 WeakPolarHBondContact CA-OD2 3.34Å; S62-D82 WeakPolarHBondContact CB-OD2 3.44Å; S62-D82 PolarHBondContact OG-OD2 3.39Å; M68-D82 HydrophobicContact CE-CB 4.11Å; D82-R84 PolarHBondContact O-N 2.85Å; D82-R84 WeakPolarHBondContact OD1-CA 3.34Å; D82-R84 WeakPolarHBondContact OD1-CB 3.32Å; D82-R84 PolarHBondContact OD1-N 2.83Å; D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 CarbonylContact O-C 3.55Å; D82-A85 PolarHBondContact O-N 2.92Å; D82-A85 PolarHBondContact OD1-N 2.72Å; D82-N86 WeakPolarHBondContact O-CA 3.5Å; D82-N86 PolarHBondContact O-N 2.9Å; D82-T87 PolarHBondContact N-O 3.39Å; D82-T87 PolarHBondContact O-N 3.08Å; D82-Y89 HydrophobicContact CB-CD2 4.15Å; D82-Y89 HydrophobicContact CB-CE2 3.83Å
83S92.3Very high96.3Very high113 Ų11351.4 Ų51.479%0.7928%0.282SS*.THydrogen-bonded Turntrans-62.9-30.2179.3-500000112.9N86S83-N86 PolarHBondContact O-N 2.83Å
84R92.5Very high96.4Very high203 Ų20351.5 Ų51.577%0.76629%0.29SS*.THydrogen-bonded Turntrans-71.3-40.4178.3175-177.5-78.4-130.4-1.2110.7D82 N86D82-R84 PolarHBondContact O-N 2.85Å; D82-R84 WeakPolarHBondContact OD1-CA 3.34Å; D82-R84 WeakPolarHBondContact OD1-CB 3.32Å; D82-R84 PolarHBondContact OD1-N 2.83Å; R84-N86 VanDerWaalsContact C-N 3.3Å
85A91.6Very high96.4Very high47 Ų4750.3 Ų50.339%0.38828%0.281SS..THydrogen-bonded Turntrans-84.7-4.1175.900000113.4D82 T87 Y89D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 CarbonylContact O-C 3.55Å; D82-A85 PolarHBondContact O-N 2.92Å; D82-A85 PolarHBondContact OD1-N 2.72Å; A85-T87 HydrophobicContact CB-CG2 3.83Å; A85-T87 PolarHBondContact O-N 2.79Å; A85-Y89 HydrophobicContact CB-CE2 4.44Å
86N93.3Very high96.6Very high120 Ų12048.9 Ų48.964%0.64228%0.275SS*.THydrogen-bonded Turntrans4940-175.4-168.419.5000113.5K24 D82 S83 R84K24-N86 PolarHBondContact NZ-O 3.21Å; D82-N86 WeakPolarHBondContact O-CA 3.5Å; D82-N86 PolarHBondContact O-N 2.9Å; S83-N86 PolarHBondContact O-N 2.83Å; R84-N86 VanDerWaalsContact C-N 3.3Å
87T95Very high96.5Very high18 Ų1850.6 Ų50.611%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-143.3163-176.8-166.50000111D82 A85 Y89D82-T87 PolarHBondContact N-O 3.39Å; D82-T87 PolarHBondContact O-N 3.08Å; A85-T87 HydrophobicContact CB-CG2 3.83Å; A85-T87 PolarHBondContact O-N 2.79Å; T87-Y89 HydrophobicContact CG2-CD1 4.43Å; T87-Y89 HydrophobicContact CG2-CD2 4.05Å; T87-Y89 HydrophobicContact CG2-CE1 3.88Å; T87-Y89 HydrophobicContact CG2-CE2 3.46Å; T87-Y89 VanDerWaalsContact CG2-CE2 3.46Å
88V96.8Very high96.5Very high31 Ų3151.5 Ų51.519%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-115.5122.8172.8-175.80000107.2Q18 I19 W27 Q79 W80 A81Q18-V88 WeakPolarHBondContact CA-O 3.5Å; I19-V88 HydrophobicContact CB-CB 4.07Å; I19-V88 HydrophobicContact CG2-CB 3.76Å; I19-V88 HydrophobicContact CG2-CG2 3.94Å; I19-V88 PolarHBondContact N-O 3.22Å; W27-V88 HydrophobicContact CH2-CG1 3.91Å; Q79-V88 HydrophobicContact CB-CG1 4.37Å; W80-V88 WeakPolarHBondContact O-CA 3.49Å; W80-V88 WeakPolarHBondContact O-CG1 3.35Å; A81-V88 HydrophobicContact CB-CG2 4.18Å
89Y97.9Very high96.5Very high15 Ų1551.6 Ų51.66%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-94.6141.7177.2-63.9-75.5000109.9Q18 I60 Q79 W80 D82 A85 T87Q18-Y89 HydrophobicContact CG-CD1 3.66Å; Q18-Y89 HydrophobicContact CG-CE1 3.86Å; I60-Y89 HydrophobicContact CB-CE1 4.41Å; I60-Y89 HydrophobicContact CD1-CD1 4.48Å; I60-Y89 HydrophobicContact CG1-CD1 3.84Å; I60-Y89 HydrophobicContact CG1-CE1 3.97Å; I60-Y89 HydrophobicContact CG2-CD1 4.42Å; I60-Y89 HydrophobicContact CG2-CE1 4.31Å; I60-Y89 HydrophobicContact CG2-CE2 4.43Å; Q79-Y89 CarbonylContact C-O 3.58Å; Q79-Y89 WeakPolarHBondContact CA-O 3.48Å; Q79-Y89 VanDerWaalsContact CB-O 3.29Å; Q79-Y89 WeakPolarHBondContact CB-O 3.45Å; W80-Y89 AromaticContact CE2-CD2 3.65Å; W80-Y89 VanDerWaalsContact CH2-CB 3.48Å; W80-Y89 HydrophobicContact CH2-CD2 4.47Å; W80-Y89 HydrophobicContact CH2-CG 4.12Å; W80-Y89 VanDerWaalsContact CZ2-CB 3.46Å; W80-Y89 AromaticContact CZ2-CD2 3.62Å; W80-Y89 HydrophobicContact CZ2-CD2 3.62Å; W80-Y89 AromaticContact CZ2-CG 3.7Å; W80-Y89 HydrophobicContact CZ2-CG 3.7Å; W80-Y89 PolarHBondContact N-O 3.49Å; W80-Y89 AromaticContact NE1-CD2 3.68Å; W80-Y89 PolarHBondContact O-N 2.8Å; D82-Y89 HydrophobicContact CB-CD2 4.15Å; D82-Y89 HydrophobicContact CB-CE2 3.83Å; A85-Y89 HydrophobicContact CB-CE2 4.44Å; T87-Y89 HydrophobicContact CG2-CD1 4.43Å; T87-Y89 HydrophobicContact CG2-CD2 4.05Å; T87-Y89 HydrophobicContact CG2-CE1 3.88Å; T87-Y89 HydrophobicContact CG2-CE2 3.46Å; T87-Y89 VanDerWaalsContact CG2-CE2 3.46Å
90G97.9Very high96.5Very high0 Ų050.8 Ų50.80%029%0.288CS..EExtended strand (participates in β ladder)trans-127.7141.8176.300000110.6F17 G78F17-G90 PolarHBondContact N-O 3.5Å; F17-G90 PolarHBondContact O-N 3.29Å; G78-G90 CarbonylContact O-C 3.56Å; G78-G90 WeakPolarHBondContact O-CA 3.5Å
91L98.4Very high96.5Very high0 Ų054.1 Ų54.10%030%0.304CS..EExtended strand (participates in β ladder)trans-127.4123179.8-64.3178000110.3A14 H15 V16 V37 I60 F77 G78 W80 F93 F102A14-L91 HydrophobicContact CB-CB 4.12Å; A14-L91 HydrophobicContact CB-CD2 4.15Å; H15-L91 WeakPolarHBondContact O-CA 3.39Å; V16-L91 HydrophobicContact CB-CD2 4.34Å; V16-L91 HydrophobicContact CG1-CD2 4.35Å; V16-L91 HydrophobicContact CG2-CD2 3.81Å; V37-L91 HydrophobicContact CG1-CD1 4.14Å; V37-L91 HydrophobicContact CG2-CD2 3.91Å; I60-L91 HydrophobicContact CD1-CD2 4.06Å; F77-L91 WeakPolarHBondContact CA-O 3.38Å; F77-L91 WeakPolarHBondContact CD2-O 3.28Å; G78-L91 PolarHBondContact N-O 3.44Å; G78-L91 VanDerWaalsContact N-O 3.12Å; G78-L91 PolarHBondContact O-N 2.85Å; W80-L91 HydrophobicContact CH2-CD1 4.07Å; W80-L91 HydrophobicContact CH2-CG 4.28Å; W80-L91 HydrophobicContact CZ3-CD1 3.64Å; W80-L91 HydrophobicContact CZ3-CG 3.78Å; L91-F93 HydrophobicContact CB-CD2 4.37Å; L91-F93 HydrophobicContact CB-CE1 4.45Å; L91-F93 HydrophobicContact CB-CE2 3.55Å; L91-F93 HydrophobicContact CB-CZ 3.61Å; L91-F93 HydrophobicContact CD1-CE2 4.47Å; L91-F93 HydrophobicContact CD1-CZ 3.77Å; L91-F93 HydrophobicContact CG-CZ 4.35Å; L91-F102 HydrophobicContact CD1-CD1 4.19Å; L91-F102 HydrophobicContact CD1-CD2 4.45Å; L91-F102 HydrophobicContact CD1-CE1 3.59Å; L91-F102 HydrophobicContact CD1-CE2 3.88Å; L91-F102 HydrophobicContact CD1-CZ 3.41Å; L91-F102 VanDerWaalsContact CD1-CZ 3.41Å
92G98.1Very high96.5Very high13 Ų1351.6 Ų51.613%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-101.3113.917100000111.5A14 H15 K76A14-G92 CarbonylContact C-O 3.6Å; A14-G92 WeakPolarHBondContact CA-O 3.46Å; H15-G92 PolarHBondContact N-O 3.49Å; H15-G92 PolarHBondContact O-N 3.44Å; K76-G92 CarbonylContact O-C 3.53Å; K76-G92 WeakPolarHBondContact O-CA 3.35Å
93F98.4Very high96.6Very high10 Ų1052.1 Ų52.14%0.04429%0.288CS..EExtended strand (participates in β ladder)trans-93.8162.1-176.1-60.8-86.5000112.6T12 A14 F70 K76 L91 Q98 L99 F102T12-F93 HydrophobicContact CG2-CD1 4.5Å; T12-F93 HydrophobicContact CG2-CE1 3.8Å; A14-F93 HydrophobicContact CB-CD1 3.81Å; A14-F93 HydrophobicContact CB-CE1 3.79Å; A14-F93 HydrophobicContact CB-CG 4.4Å; A14-F93 HydrophobicContact CB-CZ 4.36Å; F70-F93 HydrophobicContact CZ-CE2 4.35Å; K76-F93 PolarHBondContact O-N 2.93Å; L91-F93 HydrophobicContact CB-CD2 4.37Å; L91-F93 HydrophobicContact CB-CE1 4.45Å; L91-F93 HydrophobicContact CB-CE2 3.55Å; L91-F93 HydrophobicContact CB-CZ 3.61Å; L91-F93 HydrophobicContact CD1-CE2 4.47Å; L91-F93 HydrophobicContact CD1-CZ 3.77Å; L91-F93 HydrophobicContact CG-CZ 4.35Å; F93-Q98 HydrophobicContact CB-CB 3.99Å; F93-Q98 HydrophobicContact CD1-CB 3.96Å; F93-Q98 HydrophobicContact CG-CB 4.25Å; F93-L99 HydrophobicContact CB-CB 4.44Å; F93-L99 HydrophobicContact CD2-CB 3.71Å; F93-L99 HydrophobicContact CD2-CD1 3.64Å; F93-L99 HydrophobicContact CD2-CG 4.28Å; F93-L99 HydrophobicContact CE2-CB 4.26Å; F93-L99 HydrophobicContact CE2-CD1 3.51Å; F93-L99 HydrophobicContact CG-CB 4.2Å; F93-F102 HydrophobicContact CE1-CB 3.87Å; F93-F102 HydrophobicContact CE1-CD2 4.22Å; F93-F102 HydrophobicContact CE1-CG 4.02Å; F93-F102 HydrophobicContact CE2-CB 4.49Å; F93-F102 HydrophobicContact CZ-CB 3.63Å; F93-F102 AromaticContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD2 4.09Å; F93-F102 AromaticContact CZ-CG 3.57Å; F93-F102 HydrophobicContact CZ-CG 3.57Å
94A97.3Very high96.9Very high76 Ų7651.9 Ų51.963%0.62827%0.274SS*.SBendtrans-73.4-32.717800000112.1K76K76-A94 WeakPolarHBondContact CD-O 3.38Å
95S97.3Very high97.2Very high40 Ų4045.1 Ų45.128%0.2825%0.25SS..SBendtrans-137.7159.1179.268.30000112.3Q97 Q98 L99S95-Q97 PolarHBondContact O-N 3.32Å; S95-Q98 PolarHBondContact O-N 3.03Å; S95-Q98 PolarHBondContact OG-N 3.01Å; S95-L99 PolarHBondContact O-N 3.28Å
96E97.4Very high97.5Very high97 Ų9742.9 Ų42.945%0.45323%0.232SC..Hα-helixtrans-60.3-36.1173-178.2173.8176.800111.9Q75 Q98 L99 T100Q75-E96 HydrophobicContact CG-CB 4.01Å; Q75-E96 HydrophobicContact CG-CG 4.13Å; Q75-E96 WeakPolarHBondContact CG-OE2 3.47Å; Q75-E96 PolarHBondContact NE2-OE2 3.28Å; Q75-E96 WeakPolarHBondContact O-CA 3.48Å; Q75-E96 WeakPolarHBondContact O-CB 3.21Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 3.04Å; E96-L99 WeakPolarHBondContact O-CB 3.34Å; E96-L99 PolarHBondContact O-N 2.93Å; E96-T100 PolarHBondContact O-N 3.23Å; E96-T100 PolarHBondContact O-OG1 2.87Å
97Q97.2Very high97.7Very high131 Ų13140.9 Ų40.961%0.61222%0.219SC*.Hα-helixtrans-59.3-42.8177-168.9-173.311.500111.8S95 T100 Q101S95-Q97 PolarHBondContact O-N 3.32Å; Q97-T100 PolarHBondContact O-N 3.34Å; Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 2.83Å
98Q97.6Very high97.8Very high54 Ų5444.8 Ų44.825%0.25224%0.236SC..Hα-helixtrans-66.3-38.2177.1-74.2177-9.300112.3F93 S95 E96 F102F93-Q98 HydrophobicContact CB-CB 3.99Å; F93-Q98 HydrophobicContact CD1-CB 3.96Å; F93-Q98 HydrophobicContact CG-CB 4.25Å; S95-Q98 PolarHBondContact O-N 3.03Å; S95-Q98 PolarHBondContact OG-N 3.01Å; E96-Q98 VanDerWaalsContact C-N 3.33Å; E96-Q98 PolarHBondContact O-N 3.04Å; Q98-F102 WeakPolarHBondContact O-CB 3.42Å; Q98-F102 PolarHBondContact O-N 3.06Å
99L98.3Very high97.8Very high2 Ų243.6 Ų43.61%0.0123%0.229CC..Hα-helixtrans-61.2-46173.5171.866.8000110.8F70 K72 S74 Q75 F93 S95 E96 F102 A103F70-L99 HydrophobicContact CE1-CD1 3.79Å; F70-L99 HydrophobicContact CZ-CD1 3.83Å; K72-L99 HydrophobicContact CB-CD2 4.31Å; K72-L99 HydrophobicContact CD-CD2 4.15Å; K72-L99 HydrophobicContact CD-CG 4.24Å; K72-L99 HydrophobicContact CG-CD1 4.28Å; K72-L99 HydrophobicContact CG-CD2 4.13Å; K72-L99 HydrophobicContact CG-CG 4.2Å; S74-L99 WeakPolarHBondContact O-CD2 3.44Å; Q75-L99 WeakPolarHBondContact O-CD2 3.41Å; F93-L99 HydrophobicContact CB-CB 4.44Å; F93-L99 HydrophobicContact CD2-CB 3.71Å; F93-L99 HydrophobicContact CD2-CD1 3.64Å; F93-L99 HydrophobicContact CD2-CG 4.28Å; F93-L99 HydrophobicContact CE2-CB 4.26Å; F93-L99 HydrophobicContact CE2-CD1 3.51Å; F93-L99 HydrophobicContact CG-CB 4.2Å; S95-L99 PolarHBondContact O-N 3.28Å; E96-L99 WeakPolarHBondContact O-CB 3.34Å; E96-L99 PolarHBondContact O-N 2.93Å; L99-F102 PolarHBondContact O-N 2.92Å; L99-A103 WeakPolarHBondContact O-CB 3.46Å; L99-A103 PolarHBondContact O-N 3.09Å
100T97.7Very high97.7Very high38 Ų3844.6 Ų44.623%0.23323%0.233CC..Hα-helixtrans-65.2-46.5-179.7-68.10000111.7K72 E96 Q97 F102 A103 E104K72-T100 PolarHBondContact NZ-OG1 3.41Å; E96-T100 PolarHBondContact O-N 3.23Å; E96-T100 PolarHBondContact O-OG1 2.87Å; Q97-T100 PolarHBondContact O-N 3.34Å; T100-F102 VanDerWaalsContact C-N 3.31Å; T100-F102 PolarHBondContact O-N 3.37Å; T100-A103 PolarHBondContact O-N 3.48Å; T100-A103 VanDerWaalsContact O-N 3.14Å; T100-E104 WeakPolarHBondContact CG2-OE1 3.26Å; T100-E104 WeakPolarHBondContact O-CG 3.34Å; T100-E104 PolarHBondContact O-N 2.79Å
101Q98Very high97.6Very high72 Ų7248.6 Ų48.634%0.33625%0.252SS..Hα-helixtrans-58.6-41.9174.6-72.8174.815.800112.4F10 Q97 A103 E104 K105F10-Q101 HydrophobicContact CZ-CB 4.4Å; Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 2.83Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.31Å; Q101-E104 PolarHBondContact O-N 2.56Å; Q101-K105 WeakPolarHBondContact O-CB 3.37Å; Q101-K105 WeakPolarHBondContact O-CG 3.26Å; Q101-K105 PolarHBondContact O-N 2.89Å
102F98.4Very high97.4Very high0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-64.9-39.5177.7-173.6-90.2000112F10 T12 V37 Y39 I50 F70 W80 L91 F93 Q98 L99 T100 F106F10-F102 HydrophobicContact CE1-CD2 4.14Å; T12-F102 HydrophobicContact CG2-CD2 3.7Å; T12-F102 HydrophobicContact CG2-CE2 4.34Å; V37-F102 HydrophobicContact CG1-CE2 3.94Å; V37-F102 HydrophobicContact CG1-CZ 4.3Å; Y39-F102 HydrophobicContact CD2-CE2 4.47Å; Y39-F102 AromaticContact CE2-CD2 3.83Å; Y39-F102 HydrophobicContact CE2-CD2 3.83Å; Y39-F102 AromaticContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CE2 3.55Å; Y39-F102 HydrophobicContact CE2-CZ 4.02Å; Y39-F102 AromaticContact CZ-CE2 3.79Å; Y39-F102 AromaticContact CZ-CZ 3.74Å; Y39-F102 VanDerWaalsContact OH-CE1 3.27Å; Y39-F102 WeakPolarHBondContact OH-CE1 3.29Å; Y39-F102 WeakPolarHBondContact OH-CZ 3.37Å; Y39-F102 PolarHBondContact OH-O 3.1Å; I50-F102 HydrophobicContact CD1-CZ 4.37Å; I50-F102 HydrophobicContact CG2-CZ 4.37Å; F70-F102 HydrophobicContact CD2-CD1 4.24Å; F70-F102 AromaticContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CD2-CE1 3.93Å; F70-F102 HydrophobicContact CE1-CD1 4.18Å; F70-F102 AromaticContact CE2-CD1 3.73Å; F70-F102 HydrophobicContact CE2-CD1 3.73Å; F70-F102 AromaticContact CE2-CE1 3.59Å; F70-F102 HydrophobicContact CE2-CE1 3.59Å; F70-F102 AromaticContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CD1 3.68Å; F70-F102 HydrophobicContact CZ-CE1 4.06Å; W80-F102 HydrophobicContact CZ3-CE1 4.43Å; L91-F102 HydrophobicContact CD1-CD1 4.19Å; L91-F102 HydrophobicContact CD1-CD2 4.45Å; L91-F102 HydrophobicContact CD1-CE1 3.59Å; L91-F102 HydrophobicContact CD1-CE2 3.88Å; L91-F102 HydrophobicContact CD1-CZ 3.41Å; L91-F102 VanDerWaalsContact CD1-CZ 3.41Å; F93-F102 HydrophobicContact CE1-CB 3.87Å; F93-F102 HydrophobicContact CE1-CD2 4.22Å; F93-F102 HydrophobicContact CE1-CG 4.02Å; F93-F102 HydrophobicContact CE2-CB 4.49Å; F93-F102 HydrophobicContact CZ-CB 3.63Å; F93-F102 AromaticContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD1 3.84Å; F93-F102 HydrophobicContact CZ-CD2 4.09Å; F93-F102 AromaticContact CZ-CG 3.57Å; F93-F102 HydrophobicContact CZ-CG 3.57Å; Q98-F102 WeakPolarHBondContact O-CB 3.42Å; Q98-F102 PolarHBondContact O-N 3.06Å; L99-F102 PolarHBondContact O-N 2.92Å; T100-F102 VanDerWaalsContact C-N 3.31Å; T100-F102 PolarHBondContact O-N 3.37Å; F102-F106 HydrophobicContact CE1-CD2 4.4Å; F102-F106 WeakPolarHBondContact O-CB 3.27Å; F102-F106 PolarHBondContact O-N 3.35Å
103A98.1Very high97.2Very high14 Ų1449.5 Ų49.512%0.11626%0.258CS..Hα-helixtrans-67.4-41.117800000112.3F70 K72 L99 T100 Q101 F106 Q107F70-A103 HydrophobicContact CD1-CB 3.68Å; F70-A103 HydrophobicContact CE1-CB 3.82Å; K72-A103 VanDerWaalsContact CE-CB 3.47Å; L99-A103 WeakPolarHBondContact O-CB 3.46Å; L99-A103 PolarHBondContact O-N 3.09Å; T100-A103 PolarHBondContact O-N 3.48Å; T100-A103 VanDerWaalsContact O-N 3.14Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.31Å; A103-F106 VanDerWaalsContact O-CB 3.32Å; A103-F106 WeakPolarHBondContact O-CB 3.35Å; A103-F106 PolarHBondContact O-N 3.06Å; A103-Q107 PolarHBondContact O-N 3.09Å
104E97.9Very high97Very high109 Ų10953.9 Ų53.951%0.50927%0.274SS..Hα-helixtrans-61.5-48.6174-71.9167.6177.600110.7T100 Q101 F106 Q107 E108T100-E104 WeakPolarHBondContact CG2-OE1 3.26Å; T100-E104 WeakPolarHBondContact O-CG 3.34Å; T100-E104 PolarHBondContact O-N 2.79Å; Q101-E104 PolarHBondContact O-N 2.56Å; E104-F106 PolarHBondContact O-N 3.48Å; E104-Q107 PolarHBondContact O-N 3.28Å; E104-E108 PolarHBondContact O-N 3.46Å
105K97.9Very high96.8Very high60 Ų6054.2 Ų54.226%0.26127%0.265SS..Hα-helixtrans-61-33.2175.2-70.6-68.2167.6-1390112.8F10 Y39 Q101 Q107 E108 V109F10-K105 HydrophobicContact CB-CD 4.36Å; F10-K105 HydrophobicContact CB-CG 4.38Å; F10-K105 HydrophobicContact CD1-CB 4.49Å; F10-K105 HydrophobicContact CD1-CG 4.29Å; F10-K105 HydrophobicContact CD2-CD 4.3Å; F10-K105 HydrophobicContact CD2-CG 3.9Å; F10-K105 HydrophobicContact CE2-CG 4.2Å; F10-K105 HydrophobicContact CG-CD 4.37Å; F10-K105 HydrophobicContact CG-CG 3.93Å; Y39-K105 HydrophobicContact CD2-CB 4.25Å; Y39-K105 HydrophobicContact CE2-CB 3.8Å; Q101-K105 WeakPolarHBondContact O-CB 3.37Å; Q101-K105 WeakPolarHBondContact O-CG 3.26Å; Q101-K105 PolarHBondContact O-N 2.89Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; K105-E108 IonicContact NZ-OE1 3.16Å; K105-E108 PolarHBondContact NZ-OE1 3Å; K105-E108 IonicContact NZ-OE2 3.69Å; K105-E108 PolarHBondContact NZ-OE2 3.37Å; K105-E108 PolarHBondContact O-N 2.89Å; K105-V109 WeakPolarHBondContact O-CB 3.48Å; K105-V109 WeakPolarHBondContact O-CG2 3.3Å; K105-V109 PolarHBondContact O-N 3.5Å
106F98.3Very high96.4Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-60.6-44.8173.4-163.7-80.5000111.3Y39 I50 M68 F70 W80 F102 A103 E104 K110Y39-F106 HydrophobicContact CE1-CD2 4.33Å; Y39-F106 VanDerWaalsContact OH-CA 3.31Å; Y39-F106 WeakPolarHBondContact OH-CA 3.44Å; Y39-F106 VanDerWaalsContact OH-CB 3.26Å; Y39-F106 WeakPolarHBondContact OH-CB 3.28Å; Y39-F106 VanDerWaalsContact OH-CD2 3.31Å; Y39-F106 WeakPolarHBondContact OH-CD2 3.47Å; Y39-F106 PolarHBondContact OH-N 3.16Å; I50-F106 HydrophobicContact CD1-CD2 3.87Å; I50-F106 HydrophobicContact CD1-CE2 3.6Å; M68-F106 HydrophobicContact CB-CE1 4.15Å; M68-F106 HydrophobicContact CB-CZ 3.91Å; F70-F106 HydrophobicContact CB-CB 4.09Å; F70-F106 HydrophobicContact CB-CD1 3.66Å; F70-F106 HydrophobicContact CB-CD2 3.72Å; F70-F106 HydrophobicContact CB-CE1 3.95Å; F70-F106 HydrophobicContact CB-CE2 4Å; F70-F106 HydrophobicContact CB-CG 3.55Å; F70-F106 HydrophobicContact CB-CZ 4.11Å; F70-F106 HydrophobicContact CD2-CD2 4.22Å; F70-F106 HydrophobicContact CD2-CE2 4.47Å; F70-F106 HydrophobicContact CG-CD2 4.22Å; F70-F106 HydrophobicContact CG-CG 4.3Å; W80-F106 HydrophobicContact CB-CE2 4.22Å; W80-F106 HydrophobicContact CB-CZ 4.19Å; W80-F106 HydrophobicContact CD2-CE2 4.32Å; W80-F106 HydrophobicContact CG-CE2 4.04Å; W80-F106 HydrophobicContact CG-CZ 4.32Å; F102-F106 HydrophobicContact CE1-CD2 4.4Å; F102-F106 WeakPolarHBondContact O-CB 3.27Å; F102-F106 PolarHBondContact O-N 3.35Å; A103-F106 VanDerWaalsContact O-CB 3.32Å; A103-F106 WeakPolarHBondContact O-CB 3.35Å; A103-F106 PolarHBondContact O-N 3.06Å; E104-F106 PolarHBondContact O-N 3.48Å; F106-K110 VanDerWaalsContact O-CB 3.26Å; F106-K110 WeakPolarHBondContact O-CB 3.35Å; F106-K110 PolarHBondContact O-N 2.95Å
107Q97.6Very high95.8Very high78 Ų7855.9 Ų55.936%0.36426%0.263SS..Hα-helixtrans-66.5-44.8178.6-63.1-55.9-37.900112A103 E104 K105 V109 K110 E111A103-Q107 PolarHBondContact O-N 3.09Å; E104-Q107 PolarHBondContact O-N 3.28Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-V109 PolarHBondContact O-N 3.29Å; Q107-K110 WeakPolarHBondContact O-CB 3.29Å; Q107-K110 PolarHBondContact O-N 3.45Å; Q107-E111 PolarHBondContact O-N 3.17Å
108E97Very high95.2Very high100 Ų10054.8 Ų54.847%0.46726%0.257SS..Hα-helixtrans-57-47.2175.9-69175.4-147.500111.7E104 K105 K110 E111 A112E104-E108 PolarHBondContact O-N 3.46Å; K105-E108 IonicContact NZ-OE1 3.16Å; K105-E108 PolarHBondContact NZ-OE1 3Å; K105-E108 IonicContact NZ-OE2 3.69Å; K105-E108 PolarHBondContact NZ-OE2 3.37Å; K105-E108 PolarHBondContact O-N 2.89Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3Å; E108-E111 PolarHBondContact O-N 2.97Å; E108-A112 WeakPolarHBondContact O-CB 3.39Å; E108-A112 PolarHBondContact O-N 3.19Å
109V96.6Very high94.2Very high7 Ų760 Ų604%0.04228%0.28CS..Hα-helixtrans-68.3-34.1-180172.90000111.6Y39 Y48 V64 K105 Q107 A112 A113Y39-V109 HydrophobicContact CD1-CB 4.15Å; Y39-V109 HydrophobicContact CD1-CG1 4Å; Y39-V109 HydrophobicContact CD1-CG2 3.82Å; Y39-V109 HydrophobicContact CE1-CB 4.32Å; Y39-V109 HydrophobicContact CE1-CG1 4.4Å; Y39-V109 HydrophobicContact CE1-CG2 4.29Å; Y39-V109 HydrophobicContact CG-CG2 4.06Å; Y48-V109 HydrophobicContact CD1-CG1 3.89Å; Y48-V109 HydrophobicContact CG-CG1 3.71Å; V64-V109 HydrophobicContact CB-CG1 4.09Å; V64-V109 HydrophobicContact CG1-CG1 4.16Å; V64-V109 HydrophobicContact CG2-CG1 3.91Å; K105-V109 WeakPolarHBondContact O-CB 3.48Å; K105-V109 WeakPolarHBondContact O-CG2 3.3Å; K105-V109 PolarHBondContact O-N 3.5Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-V109 PolarHBondContact O-N 3.29Å; V109-A112 PolarHBondContact O-N 2.99Å; V109-A113 WeakPolarHBondContact O-CB 3.39Å; V109-A113 PolarHBondContact O-N 3.34Å
110K96.2Very high92.7Very high35 Ų3563.7 Ų63.715%0.15231%0.305CS..Hα-helixtrans-63.9-45174.7-170.2-167.577.7-178.20111.5V64 P66 M68 F106 Q107 E108 A113 R114V64-K110 HydrophobicContact CG1-CB 4.29Å; P66-K110 WeakPolarHBondContact O-CD 3.13Å; M68-K110 VanDerWaalsContact O-CD 3.28Å; M68-K110 WeakPolarHBondContact O-CD 3.45Å; F106-K110 VanDerWaalsContact O-CB 3.26Å; F106-K110 WeakPolarHBondContact O-CB 3.35Å; F106-K110 PolarHBondContact O-N 2.95Å; Q107-K110 WeakPolarHBondContact O-CB 3.29Å; Q107-K110 PolarHBondContact O-N 3.45Å; E108-K110 VanDerWaalsContact C-N 3.33Å; E108-K110 PolarHBondContact O-N 3Å; K110-A113 PolarHBondContact O-N 3.48Å; K110-R114 PolarHBondContact O-N 3.03Å
111E96.2Very high90.9Very high85 Ų8569.7 Ų69.740%0.39733%0.331SS..Hα-helixtrans-65.5-41.7174.9-69.8-49.3125.500111.9Q107 E108 A113 R114 L115Q107-E111 PolarHBondContact O-N 3.17Å; E108-E111 PolarHBondContact O-N 2.97Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.93Å; E111-R114 WeakPolarHBondContact O-CB 3.43Å; E111-R114 PolarHBondContact O-N 3.28Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E111-R114 IonicContact OE2-NE 3.69Å; E111-R114 PolarHBondContact OE2-NE 3.22Å; E111-L115 PolarHBondContact O-N 3.39Å
112A94.8Very high88.5Confident26 Ų2673.4 Ų73.422%0.21535%0.353CS..Hα-helixtrans-61.5-38.3174.300000112.1Y48 E108 V109 R114 L115 A116Y48-A112 HydrophobicContact CD2-CB 4.3Å; Y48-A112 HydrophobicContact CE1-CB 4.17Å; Y48-A112 HydrophobicContact CE2-CB 3.62Å; E108-A112 WeakPolarHBondContact O-CB 3.39Å; E108-A112 PolarHBondContact O-N 3.19Å; V109-A112 PolarHBondContact O-N 2.99Å; A112-R114 VanDerWaalsContact C-N 3.34Å; A112-L115 PolarHBondContact O-N 2.83Å; A112-A116 WeakPolarHBondContact O-CB 3.5Å; A112-A116 PolarHBondContact O-N 2.89Å
113A93.6Very high85.8Confident6 Ų676.5 Ų76.55%0.0539%0.385CS..Hα-helixtrans-66.5-33.8174.300000112.6Y48 V109 K110 E111 R117Y48-A113 HydrophobicContact CD2-CB 4.01Å; V109-A113 WeakPolarHBondContact O-CB 3.39Å; V109-A113 PolarHBondContact O-N 3.34Å; K110-A113 PolarHBondContact O-N 3.48Å; E111-A113 VanDerWaalsContact C-N 3.29Å; E111-A113 PolarHBondContact O-N 2.93Å; A113-R117 WeakPolarHBondContact O-CG 3.49Å; A113-R117 PolarHBondContact O-N 3.4Å; A113-R117 VanDerWaalsContact O-N 3.16Å
114R94.1Very high83.1Confident101 Ų10178.8 Ų78.838%0.38141%0.41SS..Hα-helixtrans-62.2-51172.8-168.4-169.769.669.90.2110.7P66 K110 E111 A112 A116 R117 E118P66-R114 HydrophobicContact CB-CB 4.3Å; P66-R114 HydrophobicContact CB-CG 4.42Å; P66-R114 HydrophobicContact CG-CB 4.15Å; P66-R114 HydrophobicContact CG-CG 4.45Å; K110-R114 PolarHBondContact O-N 3.03Å; E111-R114 WeakPolarHBondContact O-CB 3.43Å; E111-R114 PolarHBondContact O-N 3.28Å; E111-R114 VanDerWaalsContact O-N 3.11Å; E111-R114 IonicContact OE2-NE 3.69Å; E111-R114 PolarHBondContact OE2-NE 3.22Å; A112-R114 VanDerWaalsContact C-N 3.34Å; R114-A116 PolarHBondContact O-N 2.91Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-E118 IonicContact CZ-OE2 3.73Å; R114-E118 IonicContact NH1-OE2 3.72Å; R114-E118 PolarHBondContact NH1-OE2 3.26Å; R114-E118 PolarHBondContact O-N 2.82Å
115L92.4Very high80.1Confident83 Ų8382 Ų8244%0.43543%0.425SS..Hα-helixtrans-63.6-38.9178.7-66.3173000112.5E111 A112 R117 E118 K119E111-L115 PolarHBondContact O-N 3.39Å; A112-L115 PolarHBondContact O-N 2.83Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.95Å; L115-E118 PolarHBondContact O-N 2.84Å; L115-K119 WeakPolarHBondContact O-CG 3.35Å; L115-K119 PolarHBondContact O-N 2.98Å
116A88.4Confident77.3Confident7 Ų788.8 Ų88.86%0.05846%0.455CS..Hα-helixtrans-61.7-41.6176.700000111.8N46 Y48 A112 R114 S120N46-A116 PolarHBondContact ND2-O 3.35Å; Y48-A116 HydrophobicContact CE2-CB 4.31Å; A112-A116 WeakPolarHBondContact O-CB 3.5Å; A112-A116 PolarHBondContact O-N 2.89Å; R114-A116 PolarHBondContact O-N 2.91Å; A116-S120 PolarHBondContact O-N 3.38Å; A116-S120 PolarHBondContact O-OG 3.41Å
117R85.5Confident74.2Confident166 Ų16695 Ų9563%0.62649%0.493SS*.Hα-helixtrans-67.6-41.1175.6-71.2-172.482.4-1433112.5A113 R114 L115 S120 Q121A113-R117 WeakPolarHBondContact O-CG 3.49Å; A113-R117 PolarHBondContact O-N 3.4Å; A113-R117 VanDerWaalsContact O-N 3.16Å; R114-R117 PolarHBondContact O-N 2.85Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.95Å; R117-S120 PolarHBondContact O-N 3.46Å; R117-Q121 PolarHBondContact O-N 3.37Å; R117-Q121 VanDerWaalsContact O-N 3.1Å
118E84.1Confident71.1Confident107 Ų10796.7 Ų96.750%0.551%0.513SS..Hα-helixtrans-60.5-47.8178-168.4171.7-179.900111R114 L115 S120 Q121 D122R114-E118 IonicContact CZ-OE2 3.73Å; R114-E118 IonicContact NH1-OE2 3.72Å; R114-E118 PolarHBondContact NH1-OE2 3.26Å; R114-E118 PolarHBondContact O-N 2.82Å; L115-E118 PolarHBondContact O-N 2.84Å; E118-S120 VanDerWaalsContact C-N 3.34Å; E118-S120 PolarHBondContact O-N 3.15Å; E118-Q121 PolarHBondContact O-N 3.01Å; E118-Q121 VanDerWaalsContact O-N 3.09Å; E118-D122 PolarHBondContact O-N 3.28Å; E118-D122 VanDerWaalsContact O-N 3.09Å
119K77.3Confident68.2Low165 Ų16597.8 Ų97.872%0.71753%0.529SS*.Hα-helixtrans-60.7-37.9175.2-73.8-178178.8-175.60113.9L115 Q121L115-K119 WeakPolarHBondContact O-CG 3.35Å; L115-K119 PolarHBondContact O-N 2.98Å; K119-Q121 VanDerWaalsContact C-N 3.27Å; K119-Q121 PolarHBondContact O-N 3.01Å
120S66Low65.2Low79 Ų79101.5 Ų101.555%0.55256%0.56SS**Hα-helixtrans-73.2-19.5177.2-69.50000113.4N46 A116 R117 E118N46-S120 PolarHBondContact ND2-OG 2.88Å; A116-S120 PolarHBondContact O-N 3.38Å; A116-S120 PolarHBondContact O-OG 3.41Å; R117-S120 PolarHBondContact O-N 3.46Å; E118-S120 VanDerWaalsContact C-N 3.34Å; E118-S120 PolarHBondContact O-N 3.15Å
121Q59.9Low62.7Low164 Ų164107.8 Ų107.877%0.76659%0.594SS**Hα-helixtrans-88.7-27.3177.5-166.1172.3-13.100112.2R117 E118 K119R117-Q121 PolarHBondContact O-N 3.37Å; R117-Q121 VanDerWaalsContact O-N 3.1Å; E118-Q121 PolarHBondContact O-N 3.01Å; E118-Q121 VanDerWaalsContact O-N 3.09Å; K119-Q121 VanDerWaalsContact C-N 3.27Å; K119-Q121 PolarHBondContact O-N 3.01Å
122D49Very low59.5Low149 Ų149108.7 Ų108.780%0.79762%0.617SS**Hα-helixtrans-80.5-15.4179.4-151.335.2000113.6E118 G124E118-D122 PolarHBondContact O-N 3.28Å; E118-D122 VanDerWaalsContact O-N 3.09Å; D122-G124 VanDerWaalsContact C-N 3.26Å; D122-G124 PolarHBondContact O-N 2.69Å
123G41.3Very low56.7Low65 Ų65115.2 Ų115.267%0.6765%0.647SS**THydrogen-bonded Turntrans-80.57.7177.300000115.7E125G123-E125 PolarHBondContact O-N 3.46Å
124G41.2Very low53.9Low62 Ų62121.4 Ų121.464%0.63968%0.684SS**  trans-83.787.8176.600000111.5D122 F126D122-G124 VanDerWaalsContact C-N 3.26Å; D122-G124 PolarHBondContact O-N 2.69Å; G124-F126 PolarHBondContact O-N 2.85Å
125E34.2Very low50.9Low177 Ų177121.6 Ų121.683%0.82770%0.701SS**  trans-53.8122.8168.8-84-17814600111.5G123 T127G123-E125 PolarHBondContact O-N 3.46Å; E125-T127 PolarHBondContact O-N 3.21Å
126F39.9Very low48.3Very low203 Ų203125.8 Ų125.889%0.8972%0.718SS**  trans-10.796.1142.9-82.7-98.4000114.7G124G124-F126 PolarHBondContact O-N 2.85Å
127T33.1Very low45.6Very low131 Ų131134.9 Ų134.980%0.80476%0.759SS**  trans-138.191.3146.240.50000108.5E125E125-T127 PolarHBondContact O-N 3.21Å
128S31.2Very low43.3Very low113 Ų113133.2 Ų133.279%0.7977%0.767SS**  trans-68.5141.3153.8-68.70000108.2
129P37.2Very low41.2Very low122 Ų122133.2 Ų133.279%0.79278%0.776SS**  -118.5111.6119.324-12.5000108.1L131P129-L131 PolarHBondContact O-N 2.91Å
130A34.3Very low39.4Very low85 Ų85131.4 Ų131.470%0.70278%0.781SS**  trans-59.8128.8155.300000107.9
131L42.8Very low37.8Very low167 Ų167132.8 Ų132.887%0.87479%0.791SS**  trans150.684140.7-77.5-179.6000110P129P129-L131 PolarHBondContact O-N 2.91Å
132A28.7Very low36.9Very low105 Ų105130.8 Ų130.887%0.86879%0.793SS**  trans-152.979.8147.300000107.9
133L35.7Very low36Very low163 Ų163131.8 Ų131.885%0.85380%0.797SS**  trans-67.2150.8158.5-92.3157.1000108.9
134V36Very low35.6Very low135 Ų135134.5 Ų134.582%0.81880%0.8SS**  trans87.795.2169.2-160.60000115.5
135S29.8Very low35.2Very low106 Ų106137.2 Ų137.274%0.74181%0.81SS**  -175.4139.8103.4-161.40000111.2
136H38Very low35.1Very low171 Ų171134 Ų13479%0.79280%0.802SS**  trans-26.4131.4170.7-62.8-71.2000117.4
137Q31.4Very low34.8Very low198 Ų198132.1 Ų132.193%0.92580%0.801SS**  -168.5119.8120.9-107.2168.510.200111.8
138V37.3Very low34.5Very low130 Ų130129.3 Ų129.379%0.78880%0.798SS**PPolyproline II helixtrans-74.7139.5174.5178.80000109.2
139P41.2Very low35.2Very low107 Ų107130.6 Ų130.670%0.69580%0.804SS**PPolyproline II helixtrans-81.5138.1170.332-30.1000110.3
140P38.3Very low34.8Very low127 Ų127128.2 Ų128.283%0.82580%0.801SS**PPolyproline II helixtrans-92.6122.8171.632.9-25.9000110.8
141S32.6Very low34.7Very low108 Ų108133 Ų13376%0.75581%0.809SS**PPolyproline II helixtrans-84.5173.3158.2-440000109.6
142P42Very low34.4Very low123 Ų123133.2 Ų133.280%0.79981%0.806SS**PPolyproline II helixtrans-85.8144.7-13629-11000113.8V144P142-V144 PolarHBondContact O-N 3.43Å
143L30.5Very low34.8Very low169 Ų169137 Ų13789%0.88580%0.803SS**  trans-84.4112.7171.5-72.5173000110.8
144V33.3Very low34.6Very low123 Ų123135.7 Ų135.775%0.74580%0.796SS**  trans-56.3130.41471680000108.2P142 T146P142-V144 PolarHBondContact O-N 3.43Å; V144-T146 HydrophobicContact CG1-CG2 4.24Å
145S30.9Very low34.4Very low119 Ų119139 Ų13983%0.83280%0.8SS**  trans-135.9111.4159.3-97.80000110.2
146T32.3Very low34.4Very low108 Ų108144 Ų14466%0.66380%0.802SS**  trans-79.9132.2170.744.90000111V144V144-T146 HydrophobicContact CG1-CG2 4.24Å
147N34.3Very low34.1Very low165 Ų165140.4 Ų140.488%0.88280%0.796SS**  trans71122.1143.5-58.8-23.7000121.8
148G27Very low34.2Very low72 Ų72139.8 Ų139.874%0.74279%0.793SS**  trans-169.9118.5152.500000109.8
149P45.1Very low34Very low139 Ų139139.3 Ų139.390%0.90380%0.796SS**  trans-90.8150-158.636.5-33.8000112.8
150G29.3Very low33.7Very low72 Ų72139 Ų13974%0.74280%0.802SS**  trans174.693.5173.700000115.1
151E32.9Very low33.7Very low185 Ų185140.3 Ų140.386%0.86480%0.802SS**  trans67.5106.1150.1-57.6-158.1150.700120.5K153E151-K153 PolarHBondContact O-N 3.38Å
152E35.7Very low34.4Very low173 Ų173139.5 Ų139.581%0.80880%0.802SS**  trans-35.3117.5147.3-65.2171.8111.400113.5
153K36.9Very low34.7Very low184 Ų184137.3 Ų137.380%0.879%0.788SS**  trans-128.388.2141.8-73.1-166.9179.7176.50109.7E151 F155E151-K153 PolarHBondContact O-N 3.38Å; K153-F155 PolarHBondContact O-N 2.85Å
154L32.4Very low35.5Very low136 Ų136130.6 Ų130.671%0.71276%0.76SS**  trans-32.5110.4152.2-67.5152.2000111.3
155F30.9Very low36.6Very low204 Ų204129.8 Ų129.890%0.89576%0.757SS**  trans-97.478.9147.6-91.8-82.4000108.4K153K153-F155 PolarHBondContact O-N 2.85Å
156R31.1Very low37.8Very low212 Ų212128.1 Ų128.180%0.874%0.742SS**  trans-81116.3153.1173.5-171.4-74.6-171.8-2.8106.9
157S30Very low39Very low95 Ų95127.8 Ų127.866%0.66473%0.733SS**  trans-161.198.2151-78.50000106.8
158Q33.6Very low40.4Very low184 Ų184129.4 Ų129.486%0.8673%0.727SS**  106.887.284.8-93.1-172.771.400109.3
159S34.1Very low42.2Very low120 Ų120132.5 Ų132.584%0.83972%0.722SS**  trans-150.285.5147.256.20000106.5D161S159-D161 PolarHBondContact O-N 2.8Å
160A33.5Very low43.3Very low101 Ų101134.1 Ų134.184%0.83571%0.71SS**  trans-78.9100.6166.700000107.2
161D39.4Very low44.6Very low154 Ų154134.9 Ų134.982%0.82470%0.696SS**  trans-118.5120.9147.6-87.5-38.2000106S159S159-D161 PolarHBondContact O-N 2.8Å
162A47.9Very low46.3Very low91 Ų91133.2 Ų133.275%0.75269%0.686SS**PPolyproline II helixtrans-60.6129.9173.100000108.2G164A162-G164 PolarHBondContact O-N 2.98Å
163P48.2Very low47.6Very low77 Ų77131.2 Ų131.250%0.568%0.675SS.*PPolyproline II helixtrans-60.9118.5176.822.7-30.7000108.2E167P163-E167 VanDerWaalsContact CA-OE2 3.29Å; P163-E167 WeakPolarHBondContact CA-OE2 3.41Å; P163-E167 HydrophobicContact CB-CB 3.92Å; P163-E167 HydrophobicContact CB-CG 3.96Å; P163-E167 VanDerWaalsContact CB-OE2 3.26Å; P163-E167 WeakPolarHBondContact CB-OE2 3.41Å
164G45.6Very low48.5Very low28 Ų28128.3 Ų128.329%0.28967%0.666SS.*PPolyproline II helixtrans-57.2161.9177.900000111.3A162 T166 E167 R168A162-G164 PolarHBondContact O-N 2.98Å; G164-T166 PolarHBondContact O-N 2.86Å; G164-E167 PolarHBondContact O-N 3Å; G164-R168 PolarHBondContact O-N 3.21Å
165P57.1Low49.6Very low107 Ų107128.6 Ų128.670%0.69567%0.667SS**Hα-helixtrans-52.4-28.9178.620.1-31.4000112.9E169P165-E169 WeakPolarHBondContact O-CB 3.42Å; P165-E169 PolarHBondContact O-N 2.89Å
166T55.5Low50.8Low84 Ų84123.5 Ų123.552%0.51566%0.657SS.*Hα-helixtrans-70.5-32.7175.244.50000114.7G164 R170G164-T166 PolarHBondContact O-N 2.86Å; T166-R170 WeakPolarHBondContact O-CB 3.31Å; T166-R170 VanDerWaalsContact O-CG 3.28Å; T166-R170 WeakPolarHBondContact O-CG 3.27Å; T166-R170 PolarHBondContact O-N 2.86Å
167E58Low52Low100 Ų100119.1 Ų119.147%0.46765%0.645SS.*Hα-helixtrans-79-34.9176.5-170.7168.1-161.900111P163 G164 R170 L171P163-E167 VanDerWaalsContact CA-OE2 3.29Å; P163-E167 WeakPolarHBondContact CA-OE2 3.41Å; P163-E167 HydrophobicContact CB-CB 3.92Å; P163-E167 HydrophobicContact CB-CG 3.96Å; P163-E167 VanDerWaalsContact CB-OE2 3.26Å; P163-E167 WeakPolarHBondContact CB-OE2 3.41Å; G164-E167 PolarHBondContact O-N 3Å; E167-R170 PolarHBondContact O-N 2.93Å; E167-L171 HydrophobicContact CG-CD1 4.4Å; E167-L171 WeakPolarHBondContact O-CB 3.45Å; E167-L171 WeakPolarHBondContact O-CG 3.5Å; E167-L171 PolarHBondContact O-N 3.49Å
168R64.1Low52.9Low200 Ų200116.8 Ų116.876%0.75564%0.636SS**Hα-helixtrans-65.7-38171.3-148.2174.8-174166.91111.8G164 K172G164-R168 PolarHBondContact O-N 3.21Å; R168-K172 VanDerWaalsContact O-CB 3.27Å; R168-K172 WeakPolarHBondContact O-CB 3.26Å; R168-K172 PolarHBondContact O-N 3.46Å
169E65.3Low53.7Low137 Ų137112 Ų11264%0.6462%0.623SS**Hα-helixtrans-68.9-38.4171-89.9178.1154.200113.1P165 K172 K173P165-E169 WeakPolarHBondContact O-CB 3.42Å; P165-E169 PolarHBondContact O-N 2.89Å; E169-K172 PolarHBondContact O-N 2.99Å; E169-K173 VanDerWaalsContact O-CB 3.28Å; E169-K173 WeakPolarHBondContact O-CB 3.32Å; E169-K173 PolarHBondContact O-N 3.24Å
170R66.8Low54.4Low173 Ų173110.4 Ų110.465%0.65361%0.608SS**Hα-helixtrans-64.5-43.9174.2-81.1175.5-177.7145.41112.5T166 E167 K173 M174T166-R170 WeakPolarHBondContact O-CB 3.31Å; T166-R170 VanDerWaalsContact O-CG 3.28Å; T166-R170 WeakPolarHBondContact O-CG 3.27Å; T166-R170 PolarHBondContact O-N 2.86Å; E167-R170 PolarHBondContact O-N 2.93Å; R170-K173 PolarHBondContact O-N 2.87Å; R170-M174 WeakPolarHBondContact O-CB 3.46Å; R170-M174 WeakPolarHBondContact O-CG 3.32Å; R170-M174 PolarHBondContact O-N 3.11Å
171L58.3Low55.5Low87 Ų87106.8 Ų106.846%0.45558%0.581SS.*Hα-helixtrans-65.4-39.6175.7-76.8164.9000111.4E167 K173 M174 L175E167-L171 HydrophobicContact CG-CD1 4.4Å; E167-L171 WeakPolarHBondContact O-CB 3.45Å; E167-L171 WeakPolarHBondContact O-CG 3.5Å; E167-L171 PolarHBondContact O-N 3.49Å; L171-K173 VanDerWaalsContact C-N 3.35Å; L171-M174 PolarHBondContact O-N 3.29Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 WeakPolarHBondContact O-CD1 3.27Å; L171-L175 VanDerWaalsContact O-CG 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.21Å; L171-L175 PolarHBondContact O-N 2.84Å
172K67.1Low56.2Low150 Ų150105.9 Ų105.965%0.65257%0.572SS**Hα-helixtrans-64.5-38.9174.2-167.6176.6-179.3-176.40111.9R168 E169 L175 S176R168-K172 VanDerWaalsContact O-CB 3.27Å; R168-K172 WeakPolarHBondContact O-CB 3.26Å; R168-K172 PolarHBondContact O-N 3.46Å; E169-K172 PolarHBondContact O-N 2.99Å; K172-L175 PolarHBondContact O-N 3.4Å; K172-S176 PolarHBondContact O-N 2.81Å; K172-S176 PolarHBondContact O-OG 2.96Å
173K63.2Low56.7Low131 Ų131105.7 Ų105.757%0.5756%0.561SS**Hα-helixtrans-67.3-43175.7-168.3176.1179.5-176.50112E169 R170 L171 L175 S176 E177E169-K173 VanDerWaalsContact O-CB 3.28Å; E169-K173 WeakPolarHBondContact O-CB 3.32Å; E169-K173 PolarHBondContact O-N 3.24Å; R170-K173 PolarHBondContact O-N 2.87Å; L171-K173 VanDerWaalsContact C-N 3.35Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 2.79Å; K173-S176 PolarHBondContact O-N 3.32Å; K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.33Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3Å
174M56.7Low57.6Low123 Ų123107.4 Ų107.461%0.60656%0.563SS**Hα-helixtrans-63.5-38173.9-77177.748.900112.8R170 L171 E177 G178R170-M174 WeakPolarHBondContact O-CB 3.46Å; R170-M174 WeakPolarHBondContact O-CG 3.32Å; R170-M174 PolarHBondContact O-N 3.11Å; L171-M174 PolarHBondContact O-N 3.29Å; M174-E177 PolarHBondContact O-N 3.04Å; M174-G178 PolarHBondContact O-N 3.45Å
175L55.5Low58.9Low143 Ų143115 Ų11575%0.74958%0.582SS**Hα-helixtrans-71.1-33.2176.5-73.1166.4000112.2L171 K172 K173 G178L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 WeakPolarHBondContact O-CD1 3.27Å; L171-L175 VanDerWaalsContact O-CG 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.21Å; L171-L175 PolarHBondContact O-N 2.84Å; K172-L175 PolarHBondContact O-N 3.4Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-L175 PolarHBondContact O-N 2.79Å; L175-G178 PolarHBondContact O-N 3.4Å
176S56.8Low60Low97 Ų97114.7 Ų114.768%0.67857%0.572SS**Hα-helixtrans-73.6-26.5172.4-71.40000113.6K172 K173K172-S176 PolarHBondContact O-N 2.81Å; K172-S176 PolarHBondContact O-OG 2.96Å; K173-S176 PolarHBondContact O-N 3.32Å
177E54.8Low61.2Low119 Ų119113.5 Ų113.556%0.55657%0.571SS**Hα-helixtrans-86-13.6173.7-70.8169.5-175.400112.8K173 M174 S179K173-E177 WeakPolarHBondContact CE-OE1 3.49Å; K173-E177 WeakPolarHBondContact O-CB 3.33Å; K173-E177 WeakPolarHBondContact O-CG 3.48Å; K173-E177 PolarHBondContact O-N 3Å; M174-E177 PolarHBondContact O-N 3.04Å; E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 3.42Å
178G49.9Very low62.6Low46 Ų46113.9 Ų113.947%0.47457%0.573SS.*THydrogen-bonded Turntrans-71.6-8.6-175.200000116.5M174 L175 V180M174-G178 PolarHBondContact O-N 3.45Å; L175-G178 PolarHBondContact O-N 3.4Å; G178-V180 VanDerWaalsContact C-N 3.31Å; G178-V180 PolarHBondContact O-N 3.49Å
179S49.4Very low64Low83 Ų83110.6 Ų110.658%0.5856%0.564SS**Hα-helixtrans-73.9-20177.6-1800000113.3E177E177-S179 VanDerWaalsContact C-N 3.29Å; E177-S179 PolarHBondContact O-N 3.42Å
180V50Low65.3Low88 Ų88110.3 Ų110.353%0.53356%0.561SS.*Hα-helixtrans-78.3-29.9178.8177.20000111.7G178 Q184G178-V180 VanDerWaalsContact C-N 3.31Å; G178-V180 PolarHBondContact O-N 3.49Å; V180-Q184 HydrophobicContact CG1-CG 4.27Å; V180-Q184 WeakPolarHBondContact O-CB 3.31Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.39Å; V180-Q184 PolarHBondContact O-N 2.83Å; V180-Q184 VanDerWaalsContact O-N 3.08Å
181G55.3Low66.4Low25 Ų25104.9 Ų104.926%0.25855%0.553SS.*Hα-helixtrans-66.5-43.5179.600000112.5Q184 W185G181-Q184 PolarHBondContact O-N 2.95Å; G181-W185 PolarHBondContact O-N 2.96Å
182E54.8Low68Low134 Ų134106.4 Ų106.463%0.62656%0.561SS**Hα-helixtrans-62.4-45.9179.9-165.8168.1-164.200111.7Q184 W185 E186E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 3.39Å; E182-W185 PolarHBondContact O-N 2.93Å; E182-E186 WeakPolarHBondContact O-CB 3.26Å; E182-E186 VanDerWaalsContact O-CG 3.32Å; E182-E186 WeakPolarHBondContact O-CG 3.32Å; E182-E186 PolarHBondContact O-N 3.39Å
183V58.8Low69.3Low88 Ų88103.9 Ų103.953%0.53355%0.551SS.*Hα-helixtrans-66.6-32.4177-178.80000112.2A187V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.33Å; V183-A187 PolarHBondContact O-N 3.28Å
184Q67Low70.7Confident113 Ų113101 Ų10153%0.52854%0.543SS..Hα-helixtrans-69.4-44.2174.3-78176-20.800112.2V180 G181 E182 A187 E188V180-Q184 HydrophobicContact CG1-CG 4.27Å; V180-Q184 WeakPolarHBondContact O-CB 3.31Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.39Å; V180-Q184 PolarHBondContact O-N 2.83Å; V180-Q184 VanDerWaalsContact O-N 3.08Å; G181-Q184 PolarHBondContact O-N 2.95Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 3.39Å; Q184-A187 PolarHBondContact O-N 3.22Å; Q184-E188 WeakPolarHBondContact O-CB 3.46Å; Q184-E188 WeakPolarHBondContact O-CG 3.4Å; Q184-E188 PolarHBondContact O-N 3.21Å
185W72.1Confident72.5Confident186 Ų18697.7 Ų97.771%0.70553%0.531SS*.Hα-helixtrans-66.4-38.1176-73.7112000112.3G181 E182 E188 F189G181-W185 PolarHBondContact O-N 2.96Å; E182-W185 PolarHBondContact O-N 2.93Å; W185-E188 PolarHBondContact O-N 3.12Å; W185-F189 VanDerWaalsContact O-CB 3.24Å; W185-F189 WeakPolarHBondContact O-CB 3.35Å; W185-F189 PolarHBondContact O-N 2.92Å
186E79.6Confident74.3Confident101 Ų10196.1 Ų96.147%0.47252%0.524SS..Hα-helixtrans-62.2-46.5173.2-74.9178.6169.700111.4E182 E188 F189 F190E182-E186 WeakPolarHBondContact O-CB 3.26Å; E182-E186 VanDerWaalsContact O-CG 3.32Å; E182-E186 WeakPolarHBondContact O-CG 3.32Å; E182-E186 PolarHBondContact O-N 3.39Å; E186-E188 PolarHBondContact O-N 2.92Å; E186-F189 WeakPolarHBondContact O-CB 3.44Å; E186-F189 PolarHBondContact O-N 3.41Å; E186-F190 WeakPolarHBondContact O-CD2 3.47Å; E186-F190 PolarHBondContact O-N 3.26Å
187A81.7Confident76.2Confident60 Ų6097.9 Ų97.950%0.49652%0.521SS..Hα-helixtrans-62.8-42.517700000112.4V183 Q184 F190 A191V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.33Å; V183-A187 PolarHBondContact O-N 3.28Å; Q184-A187 PolarHBondContact O-N 3.22Å; A187-F190 PolarHBondContact O-N 2.98Å; A187-A191 WeakPolarHBondContact O-CB 3.41Å; A187-A191 PolarHBondContact O-N 3.49Å
188E88.2Confident78.1Confident108 Ų108100.5 Ų100.551%0.50553%0.526SS..Hα-helixtrans-65.7-38.3175.3-74.9-175.8-171.900112.1Q184 W185 E186 A191 L192Q184-E188 WeakPolarHBondContact O-CB 3.46Å; Q184-E188 WeakPolarHBondContact O-CG 3.4Å; Q184-E188 PolarHBondContact O-N 3.21Å; W185-E188 PolarHBondContact O-N 3.12Å; E186-E188 PolarHBondContact O-N 2.92Å; E188-A191 PolarHBondContact O-N 3.49Å; E188-L192 WeakPolarHBondContact O-CB 3.33Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.45Å; E188-L192 PolarHBondContact O-N 2.99Å
189F91.8Very high80.4Confident130 Ų130103.8 Ų103.857%0.5753%0.532SS*.Hα-helixtrans-61.9-47.5175.2178.5-94000111.5W185 E186 L192 Q193W185-F189 VanDerWaalsContact O-CB 3.24Å; W185-F189 WeakPolarHBondContact O-CB 3.35Å; W185-F189 PolarHBondContact O-N 2.92Å; E186-F189 WeakPolarHBondContact O-CB 3.44Å; E186-F189 PolarHBondContact O-N 3.41Å; F189-L192 PolarHBondContact O-N 3.43Å; F189-Q193 WeakPolarHBondContact O-CB 3.42Å; F189-Q193 PolarHBondContact O-N 3.38Å
190F93.1Very high82.6Confident131 Ų131101.9 Ų101.958%0.57552%0.521SS*.Hα-helixtrans-64.8-39.5176.2-76-64.3000112.3E186 A187 L192 Q193 D194E186-F190 WeakPolarHBondContact O-CD2 3.47Å; E186-F190 PolarHBondContact O-N 3.26Å; A187-F190 PolarHBondContact O-N 2.98Å; F190-L192 PolarHBondContact O-N 2.94Å; F190-Q193 PolarHBondContact O-N 3Å; F190-D194 WeakPolarHBondContact O-CB 3.47Å; F190-D194 PolarHBondContact O-N 3.36Å
191A90.2Very high84.8Confident60 Ų6098.3 Ų98.350%0.49650%0.502SS..Hα-helixtrans-63.7-40.4175.700000112.2A187 E188 S195A187-A191 WeakPolarHBondContact O-CB 3.41Å; A187-A191 PolarHBondContact O-N 3.49Å; E188-A191 PolarHBondContact O-N 3.49Å; A191-S195 VanDerWaalsContact O-CB 3.31Å; A191-S195 WeakPolarHBondContact O-CB 3.18Å; A191-S195 PolarHBondContact O-N 3.04Å
192L92.4Very high86.8Confident119 Ų11999.6 Ų99.662%0.62351%0.511SS*.Hα-helixtrans-68.2-39.9174.4-74.6171.5000112E188 F189 F190 S195 N196E188-L192 WeakPolarHBondContact O-CB 3.33Å; E188-L192 VanDerWaalsContact O-CG 3.26Å; E188-L192 WeakPolarHBondContact O-CG 3.45Å; E188-L192 PolarHBondContact O-N 2.99Å; F189-L192 PolarHBondContact O-N 3.43Å; F190-L192 PolarHBondContact O-N 2.94Å; L192-S195 PolarHBondContact O-N 2.65Å; L192-N196 VanDerWaalsContact O-CB 3.31Å; L192-N196 WeakPolarHBondContact O-CB 3.4Å; L192-N196 PolarHBondContact O-N 3.08Å
193Q94.5Very high88.8Confident96 Ų9699.3 Ų99.345%0.44951%0.513SS..Hα-helixtrans-62.3-46176.2-175.5178.30.900111.2F189 F190 N196 Q197F189-Q193 WeakPolarHBondContact O-CB 3.42Å; F189-Q193 PolarHBondContact O-N 3.38Å; F190-Q193 PolarHBondContact O-N 3Å; Q193-N196 WeakPolarHBondContact O-CB 3.28Å; Q193-N196 PolarHBondContact O-N 3.29Å; Q193-Q197 WeakPolarHBondContact O-CB 3.19Å; Q193-Q197 PolarHBondContact O-N 3.38Å
194D92.1Very high90.6Very high72 Ų72103 Ų10339%0.38552%0.517SS..Hα-helixtrans-64.8-42.5176.7-179.572.2000111.7F190 N196 Q197 R198F190-D194 WeakPolarHBondContact O-CB 3.47Å; F190-D194 PolarHBondContact O-N 3.36Å; D194-N196 VanDerWaalsContact C-N 3.33Å; D194-N196 PolarHBondContact O-N 3.28Å; D194-Q197 PolarHBondContact O-N 3Å; D194-R198 WeakPolarHBondContact O-CG 3.29Å; D194-R198 PolarHBondContact O-N 3.48Å; D194-R198 IonicContact OD2-CZ 3.85Å; D194-R198 IonicContact OD2-NE 3.78Å; D194-R198 PolarHBondContact OD2-NE 3.09Å; D194-R198 IonicContact OD2-NH2 2.83Å; D194-R198 PolarHBondContact OD2-NH2 2.84Å
195S93.8Very high92Very high53 Ų53104.2 Ų104.237%0.37152%0.523SS..Hα-helixtrans-59.8-42.4173-177.40000112.1A191 L192 R198 L199A191-S195 VanDerWaalsContact O-CB 3.31Å; A191-S195 WeakPolarHBondContact O-CB 3.18Å; A191-S195 PolarHBondContact O-N 3.04Å; L192-S195 PolarHBondContact O-N 2.65Å; S195-R198 PolarHBondContact O-N 2.78Å; S195-L199 WeakPolarHBondContact O-CG 3.4Å; S195-L199 PolarHBondContact O-N 2.79Å
196N94.5Very high93Very high109 Ų10998.3 Ų98.358%0.58351%0.514SS*.Hα-helixtrans-64.1-42.9176.7-165.8-57.2000111.4L192 Q193 D194 R198 L199 A200L192-N196 VanDerWaalsContact O-CB 3.31Å; L192-N196 WeakPolarHBondContact O-CB 3.4Å; L192-N196 PolarHBondContact O-N 3.08Å; Q193-N196 WeakPolarHBondContact O-CB 3.28Å; Q193-N196 PolarHBondContact O-N 3.29Å; D194-N196 VanDerWaalsContact C-N 3.33Å; D194-N196 PolarHBondContact O-N 3.28Å; N196-R198 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 3.07Å; N196-L199 PolarHBondContact O-N 3.03Å; N196-A200 WeakPolarHBondContact O-CB 3.5Å; N196-A200 PolarHBondContact O-N 3.46Å
197Q95.9Very high93.7Very high135 Ų13598 Ų9863%0.63152%0.515SS*.Hα-helixtrans-64-39.7177-167.8165.46.300111.9Q193 D194 A200 G201Q193-Q197 WeakPolarHBondContact O-CB 3.19Å; Q193-Q197 PolarHBondContact O-N 3.38Å; D194-Q197 PolarHBondContact O-N 3Å; Q197-A200 PolarHBondContact O-N 3.01Å; Q197-G201 PolarHBondContact O-N 3.07Å
198R95.8Very high94.5Very high173 Ų17397.5 Ų97.565%0.65351%0.511SS*.Hα-helixtrans-62.7-45.1172.5-75.9-168.7-99.4170.8-6.7112.2D194 S195 N196 G201 A202D194-R198 WeakPolarHBondContact O-CG 3.29Å; D194-R198 PolarHBondContact O-N 3.48Å; D194-R198 IonicContact OD2-CZ 3.85Å; D194-R198 IonicContact OD2-NE 3.78Å; D194-R198 PolarHBondContact OD2-NE 3.09Å; D194-R198 IonicContact OD2-NH2 2.83Å; D194-R198 PolarHBondContact OD2-NH2 2.84Å; S195-R198 PolarHBondContact O-N 2.78Å; N196-R198 VanDerWaalsContact C-N 3.34Å; N196-R198 PolarHBondContact O-N 3.07Å; R198-G201 PolarHBondContact O-N 3.35Å; R198-A202 PolarHBondContact O-N 3.37Å
199L96.7Very high94.9Very high116 Ų11694 Ų9461%0.60750%0.501SS*.Hα-helixtrans-63.2-40.9175.6-73.8171.9000112.3S195 N196 G201 A202 L203S195-L199 WeakPolarHBondContact O-CG 3.4Å; S195-L199 PolarHBondContact O-N 2.79Å; N196-L199 PolarHBondContact O-N 3.03Å; L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.88Å; L199-A202 PolarHBondContact O-N 3.36Å; L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 PolarHBondContact O-N 2.94Å
200A96.4Very high95.1Very high42 Ų4289.8 Ų89.835%0.34749%0.49SS..Hα-helixtrans-64.4-36.3175.500000112N196 Q197 R204N196-A200 WeakPolarHBondContact O-CB 3.5Å; N196-A200 PolarHBondContact O-N 3.46Å; Q197-A200 PolarHBondContact O-N 3.01Å; A200-R204 PolarHBondContact O-N 3.23Å; A200-R204 VanDerWaalsContact O-N 3.15Å
201G96.9Very high95.3Very high13 Ų1385.6 Ų85.613%0.13448%0.477CS..Hα-helixtrans-60.6-56.4170.500000112.1Q197 R198 L199 L203 R204 E205Q197-G201 PolarHBondContact O-N 3.07Å; R198-G201 PolarHBondContact O-N 3.35Å; L199-G201 VanDerWaalsContact C-N 3.31Å; L199-G201 PolarHBondContact O-N 2.88Å; G201-L203 VanDerWaalsContact C-N 3.27Å; G201-L203 PolarHBondContact O-N 3.08Å; G201-R204 WeakPolarHBondContact O-CB 3.5Å; G201-R204 PolarHBondContact O-N 3.03Å; G201-E205 PolarHBondContact O-N 3.1Å
202A95.9Very high95.7Very high53 Ų5388.7 Ų88.744%0.43848%0.481SS..Hα-helixtrans-57.9-38.1179.700000112.6R198 L199 E205 A206R198-A202 PolarHBondContact O-N 3.37Å; L199-A202 PolarHBondContact O-N 3.36Å; A202-E205 PolarHBondContact O-N 3.18Å; A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.12Å
203L97Very high95.8Very high128 Ų12892.2 Ų92.267%0.6749%0.486SS*.Hα-helixtrans-67.6-38.2176.9-170.4140.1000112.2L199 G201 N207L199-L203 WeakPolarHBondContact O-CB 3.47Å; L199-L203 PolarHBondContact O-N 2.94Å; G201-L203 VanDerWaalsContact C-N 3.27Å; G201-L203 PolarHBondContact O-N 3.08Å; L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.24Å
204R96.9Very high95.9Very high166 Ų16694.3 Ų94.363%0.62649%0.49SS*.Hα-helixtrans-66-42.9175.5-164.7-174.4-55.5101.23111.2A200 G201 N207 A208A200-R204 PolarHBondContact O-N 3.23Å; A200-R204 VanDerWaalsContact O-N 3.15Å; G201-R204 WeakPolarHBondContact O-CB 3.5Å; G201-R204 PolarHBondContact O-N 3.03Å; R204-N207 PolarHBondContact O-N 3.34Å; R204-A208 PolarHBondContact O-N 2.88Å
205E96Very high96.2Very high138 Ų13897 Ų9765%0.64550%0.5SS*.Hα-helixtrans-64.5-45.7176.4-72.2170.5-163.400111.7G201 A202 N207 A208 A209G201-E205 PolarHBondContact O-N 3.1Å; A202-E205 PolarHBondContact O-N 3.18Å; E205-N207 VanDerWaalsContact C-N 3.29Å; E205-N207 PolarHBondContact O-N 3.35Å; E205-A208 PolarHBondContact O-N 3.16Å; E205-A209 WeakPolarHBondContact O-CB 3.44Å; E205-A209 PolarHBondContact O-N 3.33Å
206A94.3Very high96.3Very high62 Ų62100.3 Ų100.351%0.51251%0.51SS..Hα-helixtrans-59.5-40.1175.300000111.9A202 A209 A210A202-A206 VanDerWaalsContact O-CB 3.29Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.12Å; A206-A209 PolarHBondContact O-N 2.82Å; A206-A210 WeakPolarHBondContact O-CB 3.42Å; A206-A210 PolarHBondContact O-N 2.89Å
207N94.7Very high96.4Very high95 Ų9599.5 Ų99.551%0.50851%0.505SS..Hα-helixtrans-69.8-36.8177.6-162.217.4000112.5L203 R204 E205 S211L203-N207 WeakPolarHBondContact O-CB 3.35Å; L203-N207 PolarHBondContact O-N 3.24Å; R204-N207 PolarHBondContact O-N 3.34Å; E205-N207 VanDerWaalsContact C-N 3.29Å; E205-N207 PolarHBondContact O-N 3.35Å; N207-S211 PolarHBondContact O-N 3.18Å; N207-S211 VanDerWaalsContact O-N 3.08Å; N207-S211 PolarHBondContact O-OG 3.04Å
208A97.3Very high96.4Very high48 Ų4899.2 Ų99.240%0.39750%0.504SS..Hα-helixtrans-64.1-47.7172.900000111.1R204 E205 A210 S211 Q212R204-A208 PolarHBondContact O-N 2.88Å; E205-A208 PolarHBondContact O-N 3.16Å; A208-A210 PolarHBondContact O-N 2.87Å; A208-S211 WeakPolarHBondContact O-CB 3.39Å; A208-S211 PolarHBondContact O-N 3.14Å; A208-S211 VanDerWaalsContact O-N 3.12Å; A208-Q212 WeakPolarHBondContact O-CG 3.17Å; A208-Q212 PolarHBondContact O-N 3.15Å
209A96.6Very high96.4Very high36 Ų3693.8 Ų93.830%0.29850%0.496SS..Hα-helixtrans-59.4-46.3175.900000111.4E205 A206 S211 Q212 W213E205-A209 WeakPolarHBondContact O-CB 3.44Å; E205-A209 PolarHBondContact O-N 3.33Å; A206-A209 PolarHBondContact O-N 2.82Å; A209-S211 PolarHBondContact O-N 3.49Å; A209-Q212 WeakPolarHBondContact O-CB 3.42Å; A209-Q212 PolarHBondContact O-N 3.19Å; A209-Q212 VanDerWaalsContact O-N 3.16Å; A209-W213 PolarHBondContact O-N 3.33Å
210A97.3Very high96.3Very high41 Ų4193.6 Ų93.634%0.33949%0.492SS..Hα-helixtrans-61.2-30.3177.100000113A206 A208 R214A206-A210 WeakPolarHBondContact O-CB 3.42Å; A206-A210 PolarHBondContact O-N 2.89Å; A208-A210 PolarHBondContact O-N 2.87Å; A210-R214 WeakPolarHBondContact O-CG 3.41Å; A210-R214 PolarHBondContact O-N 3.19Å; A210-R214 PolarHBondContact O-NE 2.92Å; A210-R214 VanDerWaalsContact O-NE 3.1Å
211S96.7Very high96.3Very high43 Ų4399.1 Ų99.130%0.30150%0.503SS..Hα-helixtrans-75.7-40.2175.6-56.50000111.6N207 A208 A209 R214 Q215N207-S211 PolarHBondContact O-N 3.18Å; N207-S211 VanDerWaalsContact O-N 3.08Å; N207-S211 PolarHBondContact O-OG 3.04Å; A208-S211 WeakPolarHBondContact O-CB 3.39Å; A208-S211 PolarHBondContact O-N 3.14Å; A208-S211 VanDerWaalsContact O-N 3.12Å; A209-S211 PolarHBondContact O-N 3.49Å; S211-R214 PolarHBondContact O-N 2.99Å; S211-R214 PolarHBondContact OG-NH2 3.32Å; S211-Q215 WeakPolarHBondContact O-CG 3.46Å; S211-Q215 PolarHBondContact O-N 2.94Å
212Q97.6Very high96.3Very high124 Ų124101.2 Ų101.258%0.57952%0.519SS*.Hα-helixtrans-61.8-46.1173.1-69.8171.9-7.200111.6A208 A209 R214 Q215 Q216A208-Q212 WeakPolarHBondContact O-CG 3.17Å; A208-Q212 PolarHBondContact O-N 3.15Å; A209-Q212 WeakPolarHBondContact O-CB 3.42Å; A209-Q212 PolarHBondContact O-N 3.19Å; A209-Q212 VanDerWaalsContact O-N 3.16Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 3.34Å; Q212-Q215 PolarHBondContact O-N 3.34Å; Q212-Q216 WeakPolarHBondContact O-CB 3.21Å; Q212-Q216 PolarHBondContact O-N 2.83Å
213W95.6Very high96.3Very high193 Ų193102.9 Ų102.973%0.73152%0.518SS*.Hα-helixtrans-60-38.8176.4-79.8110.9000112.6A209 Q216 L217A209-W213 PolarHBondContact O-N 3.33Å; W213-Q216 PolarHBondContact O-N 3.39Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å
214R97.1Very high96.1Very high140 Ų14099 Ų9953%0.52850%0.504SS..Hα-helixtrans-63.3-46174.3-80.6-178.2-79.5171-3.7111.9A210 S211 Q212 Q216 L217 E218A210-R214 WeakPolarHBondContact O-CG 3.41Å; A210-R214 PolarHBondContact O-N 3.19Å; A210-R214 PolarHBondContact O-NE 2.92Å; A210-R214 VanDerWaalsContact O-NE 3.1Å; S211-R214 PolarHBondContact O-N 2.99Å; S211-R214 PolarHBondContact OG-NH2 3.32Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 3.34Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 2.91Å; R214-L217 PolarHBondContact O-N 3.28Å; R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.41Å
215Q97.8Very high96Very high130 Ų13096.5 Ų96.561%0.60750%0.5SS*.Hα-helixtrans-61.3-41.8175.5-71.9175.3-500112S211 Q212 L217 E218 A219S211-Q215 WeakPolarHBondContact O-CG 3.46Å; S211-Q215 PolarHBondContact O-N 2.94Å; Q212-Q215 PolarHBondContact O-N 3.34Å; Q215-L217 VanDerWaalsContact C-N 3.32Å; Q215-L217 PolarHBondContact O-N 3.37Å; Q215-E218 PolarHBondContact O-N 3.32Å; Q215-A219 WeakPolarHBondContact O-CB 3.35Å; Q215-A219 PolarHBondContact O-N 2.98Å
216Q96.5Very high96.1Very high122 Ų12297.6 Ų97.657%0.5750%0.498SS*.Hα-helixtrans-60.9-42.6176.4-158.693.18.900111.3Q212 W213 R214 A219 Q220Q212-Q216 WeakPolarHBondContact O-CB 3.21Å; Q212-Q216 PolarHBondContact O-N 2.83Å; W213-Q216 PolarHBondContact O-N 3.39Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 2.91Å; Q216-A219 PolarHBondContact O-N 3.38Å; Q216-Q220 WeakPolarHBondContact O-CB 3.42Å; Q216-Q220 WeakPolarHBondContact O-CG 3.37Å; Q216-Q220 PolarHBondContact O-N 2.92Å
217L96.4Very high96.2Very high92 Ų9299 Ų9948%0.48250%0.497SS..Hα-helixtrans-65.3-41.7178.3-172.171.9000111.6W213 R214 Q215 Q220 R221W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å; R214-L217 PolarHBondContact O-N 3.28Å; Q215-L217 VanDerWaalsContact C-N 3.32Å; Q215-L217 PolarHBondContact O-N 3.37Å; L217-Q220 PolarHBondContact O-N 3.02Å; L217-R221 WeakPolarHBondContact O-CB 3.44Å; L217-R221 WeakPolarHBondContact O-CG 3.29Å; L217-R221 PolarHBondContact O-N 3.36Å
218E95.8Very high96.2Very high129 Ų129101 Ų10160%0.60350%0.503SS*.Hα-helixtrans-63.1-43.4174.8-74174.4-177.700111.7R214 Q215 Q220 R221 A222R214-E218 WeakPolarHBondContact O-CG 3.44Å; R214-E218 PolarHBondContact O-N 3.41Å; Q215-E218 PolarHBondContact O-N 3.32Å; E218-Q220 PolarHBondContact O-N 2.96Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-A222 WeakPolarHBondContact O-CB 3.37Å; E218-A222 PolarHBondContact O-N 2.96Å
219A95.8Very high96.1Very high59 Ų59104.6 Ų104.649%0.48851%0.512SS..Hα-helixtrans-61.4-44.2175.800000112.1Q215 Q216 R221 A222 E223Q215-A219 WeakPolarHBondContact O-CB 3.35Å; Q215-A219 PolarHBondContact O-N 2.98Å; Q216-A219 PolarHBondContact O-N 3.38Å; A219-R221 PolarHBondContact O-N 2.89Å; A219-A222 PolarHBondContact O-N 3.46Å; A219-E223 PolarHBondContact O-N 2.99Å
220Q93.7Very high96Very high111 Ų111108.9 Ų108.952%0.51952%0.52SS..Hα-helixtrans-65-37.6176.8-74.3-64.9-51.400112.4Q216 L217 E218 E223 A224Q216-Q220 WeakPolarHBondContact O-CB 3.42Å; Q216-Q220 WeakPolarHBondContact O-CG 3.37Å; Q216-Q220 PolarHBondContact O-N 2.92Å; L217-Q220 PolarHBondContact O-N 3.02Å; E218-Q220 PolarHBondContact O-N 2.96Å; Q220-E223 PolarHBondContact O-N 3.2Å; Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.37Å
221R96.9Very high95.7Very high158 Ų158110.5 Ų110.560%0.59653%0.526SS*.Hα-helixtrans-64-46.1173.4-76.9176.7178.5-176.2-0.4111.8L217 E218 A219 E223 A224 E225L217-R221 WeakPolarHBondContact O-CB 3.44Å; L217-R221 WeakPolarHBondContact O-CG 3.29Å; L217-R221 PolarHBondContact O-N 3.36Å; E218-R221 PolarHBondContact O-N 3.47Å; A219-R221 PolarHBondContact O-N 2.89Å; R221-E223 VanDerWaalsContact C-N 3.3Å; R221-E223 PolarHBondContact O-N 2.83Å; R221-A224 WeakPolarHBondContact O-CB 3.48Å; R221-A224 PolarHBondContact O-N 2.86Å; R221-E225 WeakPolarHBondContact O-CG 3.33Å; R221-E225 PolarHBondContact O-N 2.97Å
222A96.8Very high95.4Very high57 Ų57111 Ų11147%0.47153%0.532SS..Hα-helixtrans-62-38.3177.600000112E218 A219 E225 R226E218-A222 WeakPolarHBondContact O-CB 3.37Å; E218-A222 PolarHBondContact O-N 2.96Å; A219-A222 PolarHBondContact O-N 3.46Å; A222-E225 PolarHBondContact O-N 2.99Å; A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 PolarHBondContact O-N 2.98Å
223E96.4Very high95.1Very high88 Ų88109.6 Ų109.641%0.41153%0.526SS..Hα-helixtrans-65.5-41.8174.6-172.9172.4-167.800112.1A219 Q220 R221 R226 L227A219-E223 PolarHBondContact O-N 2.99Å; Q220-E223 PolarHBondContact O-N 3.2Å; R221-E223 VanDerWaalsContact C-N 3.3Å; R221-E223 PolarHBondContact O-N 2.83Å; E223-R226 WeakPolarHBondContact O-CB 3.17Å; E223-R226 PolarHBondContact O-N 2.81Å; E223-L227 HydrophobicContact CG-CD1 4.48Å; E223-L227 WeakPolarHBondContact O-CG 3.35Å; E223-L227 PolarHBondContact O-N 2.86Å
224A92Very high94.7Very high46 Ų46104.3 Ų104.338%0.3851%0.511SS..Hα-helixtrans-61.7-44175.600000112Q220 R221 R226 L227 Q228Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.37Å; R221-A224 WeakPolarHBondContact O-CB 3.48Å; R221-A224 PolarHBondContact O-N 2.86Å; A224-R226 PolarHBondContact O-N 3.42Å; A224-L227 PolarHBondContact O-N 3.15Å; A224-Q228 WeakPolarHBondContact O-CG 3.22Å; A224-Q228 PolarHBondContact O-N 2.87Å
225E95.9Very high94.2Very high114 Ų114103.8 Ų103.853%0.53352%0.515SS..Hα-helixtrans-62.2-42175.2-72.6175.9-172.600111.7R221 A222 L227 Q228 Q229R221-E225 WeakPolarHBondContact O-CG 3.33Å; R221-E225 PolarHBondContact O-N 2.97Å; A222-E225 PolarHBondContact O-N 2.99Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.42Å; E225-Q228 PolarHBondContact O-N 3.15Å; E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 3.15Å
226R97.6Very high93.5Very high162 Ų162100.5 Ų100.561%0.61151%0.51SS*.Hα-helixtrans-61.5-42.3176.1-168-172.477.4122.5-1.4111.9A222 E223 A224 Q229 R230A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 PolarHBondContact O-N 2.98Å; E223-R226 WeakPolarHBondContact O-CB 3.17Å; E223-R226 PolarHBondContact O-N 2.81Å; A224-R226 PolarHBondContact O-N 3.42Å; R226-Q229 PolarHBondContact O-N 3.38Å; R226-R230 PolarHBondContact O-N 3.48Å
227L95Very high92.7Very high91 Ų9199.8 Ų99.848%0.47651%0.507SS..Hα-helixtrans-66.4-40.8176.8-71.5174000111.5E223 A224 E225 Q229 R230 V231E223-L227 HydrophobicContact CG-CD1 4.48Å; E223-L227 WeakPolarHBondContact O-CG 3.35Å; E223-L227 PolarHBondContact O-N 2.86Å; A224-L227 PolarHBondContact O-N 3.15Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.42Å; L227-Q229 PolarHBondContact O-N 3.45Å; L227-R230 PolarHBondContact O-N 3.36Å; L227-V231 WeakPolarHBondContact O-CG2 3.38Å; L227-V231 PolarHBondContact O-N 2.81Å
228Q95.4Very high91.6Very high137 Ų13798.8 Ų98.864%0.6451%0.511SS*.Hα-helixtrans-60.8-43.8174.9-75.5177.6-13.400112.1A224 E225 R230 V231 A232A224-Q228 WeakPolarHBondContact O-CG 3.22Å; A224-Q228 PolarHBondContact O-N 2.87Å; E225-Q228 PolarHBondContact O-N 3.15Å; Q228-R230 VanDerWaalsContact C-N 3.32Å; Q228-R230 PolarHBondContact O-N 3.44Å; Q228-V231 PolarHBondContact O-N 2.83Å; Q228-A232 PolarHBondContact O-N 3.46Å
229Q95.5Very high90.4Very high124 Ų12497 Ų9758%0.57952%0.518SS*.Hα-helixtrans-59.9-44174.1-71.7172.26.500111.2E225 R226 L227 V231 A232 E233E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 3.15Å; R226-Q229 PolarHBondContact O-N 3.38Å; L227-Q229 PolarHBondContact O-N 3.45Å; Q229-V231 VanDerWaalsContact C-N 3.35Å; Q229-V231 PolarHBondContact O-N 3.09Å; Q229-A232 PolarHBondContact O-N 2.95Å; Q229-E233 WeakPolarHBondContact O-CG 3.43Å; Q229-E233 PolarHBondContact O-N 3.45Å
230R94.8Very high88.9Confident126 Ų12697.9 Ų97.948%0.47553%0.526SS..Hα-helixtrans-64.9-37.7178.6-174.555.9178.4173.93.5112.8R226 L227 Q228 E233 L234R226-R230 PolarHBondContact O-N 3.48Å; L227-R230 PolarHBondContact O-N 3.36Å; Q228-R230 VanDerWaalsContact C-N 3.32Å; Q228-R230 PolarHBondContact O-N 3.44Å; R230-E233 WeakPolarHBondContact CD-OE2 3.33Å; R230-E233 IonicContact CZ-OE2 2.67Å; R230-E233 IonicContact NH1-OE2 2.72Å; R230-E233 PolarHBondContact NH1-OE2 3.41Å; R230-E233 PolarHBondContact O-N 3.35Å; R230-L234 HydrophobicContact CG-CD1 4.36Å; R230-L234 VanDerWaalsContact O-CG 3.3Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.39Å; R230-L234 VanDerWaalsContact O-N 3.08Å
231V90.9Very high86.8Confident75 Ų7599.7 Ų99.746%0.45554%0.535SS..Hα-helixtrans-63.8-47.1174.1170.80000110.2L227 Q228 Q229 E233 L234 E235L227-V231 WeakPolarHBondContact O-CG2 3.38Å; L227-V231 PolarHBondContact O-N 2.81Å; Q228-V231 PolarHBondContact O-N 2.83Å; Q229-V231 VanDerWaalsContact C-N 3.35Å; Q229-V231 PolarHBondContact O-N 3.09Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 2.92Å; V231-L234 PolarHBondContact O-N 3.36Å; V231-L234 VanDerWaalsContact O-N 3.1Å; V231-E235 HydrophobicContact CG1-CG 4.33Å; V231-E235 WeakPolarHBondContact O-CG 3.31Å; V231-E235 PolarHBondContact O-N 2.91Å
232A91Very high84.9Confident54 Ų5496.7 Ų96.745%0.44654%0.536SS..Hα-helixtrans-60.8-38.9177.500000112.7Q228 Q229 E235 A236Q228-A232 PolarHBondContact O-N 3.46Å; Q229-A232 PolarHBondContact O-N 2.95Å; A232-E235 PolarHBondContact O-N 3.32Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 2.65Å
233E90.6Very high82.9Confident93 Ų9399.8 Ų99.844%0.43555%0.548SS..Hα-helixtrans-62.2-41.4173.3-75.6175.9-177.700112.6Q229 R230 V231 Q237Q229-E233 WeakPolarHBondContact O-CG 3.43Å; Q229-E233 PolarHBondContact O-N 3.45Å; R230-E233 WeakPolarHBondContact CD-OE2 3.33Å; R230-E233 IonicContact CZ-OE2 2.67Å; R230-E233 IonicContact NH1-OE2 2.72Å; R230-E233 PolarHBondContact NH1-OE2 3.41Å; R230-E233 PolarHBondContact O-N 3.35Å; V231-E233 VanDerWaalsContact C-N 3.32Å; V231-E233 PolarHBondContact O-N 2.92Å; E233-Q237 WeakPolarHBondContact O-CG 3.37Å; E233-Q237 PolarHBondContact O-N 3.26Å; E233-Q237 PolarHBondContact O-NE2 2.83Å
234L87.4Confident80.9Confident83 Ų83101.6 Ų101.644%0.43556%0.56SS.*Hα-helixtrans-71.2-38.4179.3-72.2172.8000111.5R230 V231 Q237 A238R230-L234 HydrophobicContact CG-CD1 4.36Å; R230-L234 VanDerWaalsContact O-CG 3.3Å; R230-L234 WeakPolarHBondContact O-CG 3.49Å; R230-L234 PolarHBondContact O-N 3.39Å; R230-L234 VanDerWaalsContact O-N 3.08Å; V231-L234 PolarHBondContact O-N 3.36Å; V231-L234 VanDerWaalsContact O-N 3.1Å; L234-Q237 PolarHBondContact O-N 3.46Å; L234-A238 WeakPolarHBondContact O-CB 3.35Å; L234-A238 PolarHBondContact O-N 3.04Å
235E85.1Confident78.7Confident129 Ų129106.8 Ų106.860%0.60359%0.587SS**Hα-helixtrans-63.8-40.4173.4-72.5177.8169.400111.7V231 A232 A238 A239V231-E235 HydrophobicContact CG1-CG 4.33Å; V231-E235 WeakPolarHBondContact O-CG 3.31Å; V231-E235 PolarHBondContact O-N 2.91Å; A232-E235 PolarHBondContact O-N 3.32Å; E235-A238 PolarHBondContact O-N 3.47Å; E235-A239 WeakPolarHBondContact O-CB 3.45Å; E235-A239 PolarHBondContact O-N 3.15Å
236A83.8Confident76.7Confident61 Ų61104.3 Ų104.350%0.50459%0.592SS.*Hα-helixtrans-66.3-36.9174.800000112.6A232 A239 A240A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 2.65Å; A236-A239 PolarHBondContact O-N 3.26Å; A236-A240 WeakPolarHBondContact O-CB 3.26Å; A236-A240 PolarHBondContact O-N 2.93Å
237Q79.8Confident74.6Confident107 Ų107100.9 Ų100.950%0.558%0.583SS.*Hα-helixtrans-66.8-43.3173.9-78.4164.170.600111.7E233 L234 A239 A240 E241E233-Q237 WeakPolarHBondContact O-CG 3.37Å; E233-Q237 PolarHBondContact O-N 3.26Å; E233-Q237 PolarHBondContact O-NE2 2.83Å; L234-Q237 PolarHBondContact O-N 3.46Å; Q237-A239 VanDerWaalsContact C-N 3.31Å; Q237-A239 PolarHBondContact O-N 2.97Å; Q237-A240 PolarHBondContact O-N 3.24Å; Q237-A240 VanDerWaalsContact O-N 3.15Å; Q237-E241 PolarHBondContact O-N 3.44Å
238A74.4Confident72.6Confident70 Ų70105.5 Ų105.558%0.57960%0.599SS**Hα-helixtrans-65.1-33.117600000112.6L234 E235 A240L234-A238 WeakPolarHBondContact O-CB 3.35Å; L234-A238 PolarHBondContact O-N 3.04Å; E235-A238 PolarHBondContact O-N 3.47Å; A238-A240 VanDerWaalsContact C-N 3.3Å
239A69.7Low70.7Confident91 Ų91106.4 Ų106.475%0.75260%0.603SS**Hα-helixtrans-74-18.7174.800000113.7E235 A236 Q237E235-A239 WeakPolarHBondContact O-CB 3.45Å; E235-A239 PolarHBondContact O-N 3.15Å; A236-A239 PolarHBondContact O-N 3.26Å; Q237-A239 VanDerWaalsContact C-N 3.31Å; Q237-A239 PolarHBondContact O-N 2.97Å
240A63.9Low69Low79 Ų79103.4 Ų103.465%0.65360%0.599SS**THydrogen-bonded Turntrans-95.5-3.1-177.400000113.9A236 Q237 A238 P242A236-A240 WeakPolarHBondContact O-CB 3.26Å; A236-A240 PolarHBondContact O-N 2.93Å; Q237-A240 PolarHBondContact O-N 3.24Å; Q237-A240 VanDerWaalsContact O-N 3.15Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A240-P242 VanDerWaalsContact O-CD 3.3Å; A240-P242 WeakPolarHBondContact O-CD 3.36Å
241E50.8Low67.4Low148 Ų14899.7 Ų99.769%0.69260%0.596SS**  trans-88.5111.7-175.6-140.5170.4-16400110.9Q237Q237-E241 PolarHBondContact O-N 3.44Å
242P56.1Low66.4Low95 Ų9599.7 Ų99.762%0.61760%0.599SS**  trans-80.9123.2174.330.9-28.4000109.9A240 L244A240-P242 VanDerWaalsContact O-CD 3.3Å; A240-P242 WeakPolarHBondContact O-CD 3.36Å; P242-L244 PolarHBondContact O-N 2.93Å
243V54.9Low65.6Low122 Ų122102.7 Ų102.774%0.73960%0.604SS**  trans-57.7109.5177.3-179.90000110.1
244L53.3Low65.1Low126 Ų126101 Ų10166%0.6660%0.603SS**  trans-122.7125.5173.4-73.1176.6000109.8P242 G246 E247P242-L244 PolarHBondContact O-N 2.93Å; L244-G246 PolarHBondContact O-N 3.5Å; L244-E247 PolarHBondContact N-OE1 3.46Å; L244-E247 WeakPolarHBondContact O-CG 3.31Å; L244-E247 PolarHBondContact O-N 3.45Å
245V47.7Very low64.7Low155 Ų155100.6 Ų100.694%0.93960%0.603SS**THydrogen-bonded Turntrans-71.732.9-170.4-177.80000113.8
246G52.5Low64.7Low62 Ų62100.6 Ų100.664%0.63960%0.603SS**THydrogen-bonded Turntrans-104.3-4163.600000113.7L244 K248L244-G246 PolarHBondContact O-N 3.5Å; G246-K248 VanDerWaalsContact C-N 3.3Å; G246-K248 PolarHBondContact O-N 3.38Å
247E54.3Low64.8Low91 Ų91104.5 Ų104.543%0.42561%0.611SS.*Hα-helixtrans-64.2-19.9-168.3-79.3157.7-163.400115.7L244 E249 A251L244-E247 PolarHBondContact N-OE1 3.46Å; L244-E247 WeakPolarHBondContact O-CG 3.31Å; L244-E247 PolarHBondContact O-N 3.45Å; E247-E249 PolarHBondContact O-N 3.26Å; E247-A251 WeakPolarHBondContact O-CA 3.49Å; E247-A251 WeakPolarHBondContact O-CB 3.26Å; E247-A251 PolarHBondContact O-N 3.26Å
248K53.1Low65.1Low188 Ų188103.3 Ų103.382%0.81761%0.608SS**Hα-helixtrans-70.4-37.8-170.2-132.9-178.3-175.9-176.10113.8G246 S252G246-K248 VanDerWaalsContact C-N 3.3Å; G246-K248 PolarHBondContact O-N 3.38Å; K248-S252 VanDerWaalsContact O-CB 3.25Å; K248-S252 WeakPolarHBondContact O-CB 3.44Å; K248-S252 PolarHBondContact O-N 3.1Å
249E55.7Low65.7Low156 Ų156105.5 Ų105.573%0.72961%0.606SS**Hα-helixtrans-81.3-38.5178.2-70.1-178.9170.200111.8E247 S252 Q253E247-E249 PolarHBondContact O-N 3.26Å; E249-S252 PolarHBondContact O-N 3.36Å; E249-Q253 WeakPolarHBondContact O-CG 3.39Å; E249-Q253 PolarHBondContact O-N 2.87Å
250A59.3Low66.7Low60 Ų60103.7 Ų103.750%0.49659%0.591SS.*Hα-helixtrans-68.4-39.2174.500000112.2Q253 S254A250-Q253 PolarHBondContact O-N 3.5Å; A250-S254 VanDerWaalsContact O-CB 3.25Å; A250-S254 WeakPolarHBondContact O-CB 3.42Å; A250-S254 PolarHBondContact O-N 3.34Å
251A61Low68Low49 Ų49107.3 Ų107.341%0.40559%0.588SS.*Hα-helixtrans-67.3-37.9171.400000111E247 Q253 S254 V255E247-A251 WeakPolarHBondContact O-CA 3.49Å; E247-A251 WeakPolarHBondContact O-CB 3.26Å; E247-A251 PolarHBondContact O-N 3.26Å; A251-Q253 PolarHBondContact O-N 3.03Å; A251-S254 PolarHBondContact O-N 3.33Å; A251-V255 WeakPolarHBondContact O-CB 3.16Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A251-V255 PolarHBondContact O-N 2.94Å
252S69.3Low69.7Low75 Ų75104 Ų10452%0.52458%0.578SS.*Hα-helixtrans-62.2-43.6174.2-163.90000111.7K248 E249 V255 E256K248-S252 VanDerWaalsContact O-CB 3.25Å; K248-S252 WeakPolarHBondContact O-CB 3.44Å; K248-S252 PolarHBondContact O-N 3.1Å; E249-S252 PolarHBondContact O-N 3.36Å; S252-V255 PolarHBondContact O-N 3.38Å; S252-E256 WeakPolarHBondContact O-CB 3.19Å; S252-E256 PolarHBondContact O-N 3.19Å
253Q74.7Confident71.5Confident117 Ų117105.3 Ų105.355%0.54758%0.575SS.*Hα-helixtrans-68-35.6175.4-71.5174.210.400112.4E249 A250 A251 Q257E249-Q253 WeakPolarHBondContact O-CG 3.39Å; E249-Q253 PolarHBondContact O-N 2.87Å; A250-Q253 PolarHBondContact O-N 3.5Å; A251-Q253 PolarHBondContact O-N 3.03Å; Q253-Q257 WeakPolarHBondContact O-CG 3.24Å; Q253-Q257 PolarHBondContact O-N 3.28Å
254S80Confident73.3Confident58 Ų58103.5 Ų103.541%0.40657%0.565SS.*Hα-helixtrans-68.6-40.4176-174.80000112.1A250 A251 Q257 L258A250-S254 VanDerWaalsContact O-CB 3.25Å; A250-S254 WeakPolarHBondContact O-CB 3.42Å; A250-S254 PolarHBondContact O-N 3.34Å; A251-S254 PolarHBondContact O-N 3.33Å; S254-Q257 PolarHBondContact O-N 2.85Å; S254-L258 WeakPolarHBondContact O-CB 3.41Å; S254-L258 VanDerWaalsContact O-CG 3.29Å; S254-L258 WeakPolarHBondContact O-CG 3.09Å; S254-L258 PolarHBondContact O-N 2.89Å
255V79.7Confident75.1Confident73 Ų73103.1 Ų103.144%0.44256%0.558SS.*Hα-helixtrans-62.6-46.2174168.10000110.1A251 S252 Q257 L258 E259A251-V255 WeakPolarHBondContact O-CB 3.16Å; A251-V255 WeakPolarHBondContact O-CG2 3.33Å; A251-V255 PolarHBondContact O-N 2.94Å; S252-V255 PolarHBondContact O-N 3.38Å; V255-Q257 VanDerWaalsContact C-N 3.34Å; V255-Q257 PolarHBondContact O-N 3.42Å; V255-L258 PolarHBondContact O-N 3.25Å; V255-L258 VanDerWaalsContact O-N 3.15Å; V255-E259 HydrophobicContact CG1-CG 4.39Å; V255-E259 WeakPolarHBondContact O-CB 3.24Å; V255-E259 WeakPolarHBondContact O-CG 3.5Å; V255-E259 PolarHBondContact O-N 3.31Å
256E84.5Confident77Confident129 Ų12999.8 Ų99.860%0.60354%0.535SS*.Hα-helixtrans-62-40.1177.5-168174.4-171.300112.1S252 E259 A260S252-E256 WeakPolarHBondContact O-CB 3.19Å; S252-E256 PolarHBondContact O-N 3.19Å; E256-E259 PolarHBondContact O-N 2.84Å; E256-A260 PolarHBondContact O-N 3.42Å
257Q87Confident79Confident143 Ų143102.8 Ų102.867%0.66853%0.532SS*.Hα-helixtrans-66.3-38.8173.4-75.4178.11900112.9Q253 S254 V255 R261Q253-Q257 WeakPolarHBondContact O-CG 3.24Å; Q253-Q257 PolarHBondContact O-N 3.28Å; S254-Q257 PolarHBondContact O-N 2.85Å; V255-Q257 VanDerWaalsContact C-N 3.34Å; V255-Q257 PolarHBondContact O-N 3.42Å; Q257-R261 WeakPolarHBondContact O-CB 3.38Å; Q257-R261 PolarHBondContact O-N 3.23Å; Q257-R261 VanDerWaalsContact O-N 3.09Å
258L84.5Confident80.8Confident83 Ų83103.8 Ų103.844%0.43554%0.537SS..Hα-helixtrans-68.2-40176.2-74.8171.2000111.3S254 V255 R261 V262S254-L258 WeakPolarHBondContact O-CB 3.41Å; S254-L258 VanDerWaalsContact O-CG 3.29Å; S254-L258 WeakPolarHBondContact O-CG 3.09Å; S254-L258 PolarHBondContact O-N 2.89Å; V255-L258 PolarHBondContact O-N 3.25Å; V255-L258 VanDerWaalsContact O-N 3.15Å; L258-R261 PolarHBondContact O-N 2.89Å; L258-V262 WeakPolarHBondContact O-CB 3.31Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.91Å
259E88.3Confident82.4Confident116 Ų11699.6 Ų99.654%0.54252%0.522SS..Hα-helixtrans-61.4-45.8174.6-76.6179.3174.800111.6V255 E256 R261 V262 Q263V255-E259 HydrophobicContact CG1-CG 4.39Å; V255-E259 WeakPolarHBondContact O-CB 3.24Å; V255-E259 WeakPolarHBondContact O-CG 3.5Å; V255-E259 PolarHBondContact O-N 3.31Å; E256-E259 PolarHBondContact O-N 2.84Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.95Å; E259-V262 PolarHBondContact O-N 3.02Å; E259-Q263 WeakPolarHBondContact O-CG 3.43Å; E259-Q263 PolarHBondContact O-N 2.92Å
260A90.5Very high83.9Confident52 Ų5298.3 Ų98.343%0.4352%0.516SS..Hα-helixtrans-62-37.3175.500000112.5E256 T264E256-A260 PolarHBondContact O-N 3.42Å; A260-T264 PolarHBondContact O-N 2.64Å; A260-T264 PolarHBondContact O-OG1 2.8Å
261R89.9Confident85.1Confident156 Ų15699 Ų9959%0.58951%0.514SS*.Hα-helixtrans-73.6-34.4178.5-143.217469.8177.41.3112.3Q257 L258 E259 K265Q257-R261 WeakPolarHBondContact O-CB 3.38Å; Q257-R261 PolarHBondContact O-N 3.23Å; Q257-R261 VanDerWaalsContact O-N 3.09Å; L258-R261 PolarHBondContact O-N 2.89Å; E259-R261 VanDerWaalsContact C-N 3.29Å; E259-R261 PolarHBondContact O-N 2.95Å; R261-K265 WeakPolarHBondContact O-CB 3.36Å; R261-K265 WeakPolarHBondContact O-CG 3.35Å; R261-K265 PolarHBondContact O-N 3.05Å
262V88.4Confident86.2Confident79 Ų79101 Ų10148%0.47952%0.518SS..Hα-helixtrans-65.8-48.5171.7167.90000109.8L258 E259 T264 K265 D266L258-V262 WeakPolarHBondContact O-CB 3.31Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.46Å; L258-V262 PolarHBondContact O-N 2.91Å; E259-V262 PolarHBondContact O-N 3.02Å; V262-T264 VanDerWaalsContact C-N 3.29Å; V262-T264 PolarHBondContact O-N 3.37Å; V262-K265 CarbonylContact O-C 3.51Å; V262-K265 PolarHBondContact O-N 3.27Å; V262-K265 VanDerWaalsContact O-N 3.08Å; V262-D266 WeakPolarHBondContact CG1-OD2 3.3Å; V262-D266 PolarHBondContact O-N 2.95Å
263Q91.9Very high86.8Confident121 Ų121104.6 Ų104.657%0.56552%0.524SS*.Hα-helixtrans-57.7-41.6176.8-76.7-177.38.200112.6E259 D266 Q267E259-Q263 WeakPolarHBondContact O-CG 3.43Å; E259-Q263 PolarHBondContact O-N 2.92Å; Q263-D266 PolarHBondContact O-N 3.49Å; Q263-Q267 VanDerWaalsContact O-CG 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.21Å; Q263-Q267 PolarHBondContact O-N 3.37Å
264T93.3Very high87Confident84 Ų84104.1 Ų104.152%0.51553%0.525SS..Hα-helixtrans-64.7-42.8177.1-55.50000111.2A260 V262 Q267 E268A260-T264 PolarHBondContact O-N 2.64Å; A260-T264 PolarHBondContact O-OG1 2.8Å; V262-T264 VanDerWaalsContact C-N 3.29Å; V262-T264 PolarHBondContact O-N 3.37Å; T264-Q267 PolarHBondContact O-N 2.84Å; T264-E268 PolarHBondContact O-N 3.47Å
265K91.4Very high86.9Confident118 Ų118106.9 Ų106.951%0.51353%0.531SS..Hα-helixtrans-66.3-36.3175.8-81.7-175.3155.3171.50112.7R261 V262 E268 I269R261-K265 WeakPolarHBondContact O-CB 3.36Å; R261-K265 WeakPolarHBondContact O-CG 3.35Å; R261-K265 PolarHBondContact O-N 3.05Å; V262-K265 CarbonylContact O-C 3.51Å; V262-K265 PolarHBondContact O-N 3.27Å; V262-K265 VanDerWaalsContact O-N 3.08Å; K265-E268 PolarHBondContact O-N 3.27Å; K265-I269 WeakPolarHBondContact O-CB 3.48Å; K265-I269 WeakPolarHBondContact O-CG1 3.48Å; K265-I269 PolarHBondContact O-N 2.94Å
266D88.8Confident85.9Confident86 Ų86106.8 Ų106.846%0.4653%0.534SS..Hα-helixtrans-66.6-40.6176.1-72.4-27.5000111.2V262 Q263 I269 Q270V262-D266 WeakPolarHBondContact CG1-OD2 3.3Å; V262-D266 PolarHBondContact O-N 2.95Å; Q263-D266 PolarHBondContact O-N 3.49Å; D266-I269 PolarHBondContact O-N 3.45Å; D266-Q270 WeakPolarHBondContact O-CB 3.33Å; D266-Q270 PolarHBondContact O-N 2.91Å
267Q93.1Very high84.8Confident125 Ų125103.3 Ų103.358%0.58452%0.524SS*.Hα-helixtrans-62.3-43.5172.4-71.5173.812.800111.5Q263 T264 Q270 T271Q263-Q267 VanDerWaalsContact O-CG 3.32Å; Q263-Q267 WeakPolarHBondContact O-CG 3.21Å; Q263-Q267 PolarHBondContact O-N 3.37Å; T264-Q267 PolarHBondContact O-N 2.84Å; Q267-Q270 PolarHBondContact O-N 2.97Å; Q267-T271 PolarHBondContact O-N 3.34Å; Q267-T271 PolarHBondContact O-OG1 3.1Å
268E91.8Very high83.5Confident111 Ų11199 Ų9952%0.51952%0.518SS..Hα-helixtrans-62.9-45.8176.2-171.9177.9-170.800111.9T264 K265 Q270 T271 L272T264-E268 PolarHBondContact O-N 3.47Å; K265-E268 PolarHBondContact O-N 3.27Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3Å; E268-T271 PolarHBondContact O-N 2.97Å; E268-T271 VanDerWaalsContact O-N 3.15Å; E268-L272 HydrophobicContact CG-CD1 4.06Å; E268-L272 HydrophobicContact CG-CG 4.46Å; E268-L272 WeakPolarHBondContact O-CB 3.32Å; E268-L272 WeakPolarHBondContact O-CG 3.29Å; E268-L272 PolarHBondContact O-N 2.88Å
269I86.6Confident82.3Confident101 Ų101100.3 Ų100.352%0.51853%0.53SS..Hα-helixtrans-58.5-43.3174.9-72.2165000110.5K265 D266 T271 L272 K273K265-I269 WeakPolarHBondContact O-CB 3.48Å; K265-I269 WeakPolarHBondContact O-CG1 3.48Å; K265-I269 PolarHBondContact O-N 2.94Å; D266-I269 PolarHBondContact O-N 3.45Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.89Å; I269-L272 PolarHBondContact O-N 3.2Å; I269-K273 WeakPolarHBondContact O-CB 3.42Å; I269-K273 PolarHBondContact O-N 3.16Å
270Q87.3Confident80.9Confident129 Ų129103.6 Ų103.660%0.60354%0.537SS*.Hα-helixtrans-66-36.9178.8-168.3156.56.100111.9D266 Q267 E268 N274D266-Q270 WeakPolarHBondContact O-CB 3.33Å; D266-Q270 PolarHBondContact O-N 2.91Å; Q267-Q270 PolarHBondContact O-N 2.97Å; E268-Q270 VanDerWaalsContact C-N 3.3Å; E268-Q270 PolarHBondContact O-N 3Å; Q270-N274 PolarHBondContact O-N 3.37Å; Q270-N274 VanDerWaalsContact O-N 3.09Å; Q270-N274 PolarHBondContact O-ND2 3.05Å; Q270-N274 PolarHBondContact O-OD1 2.87Å
271T86.3Confident79.4Confident73 Ų73107.6 Ų107.645%0.44855%0.547SS..Hα-helixtrans-69.1-45.6177.1-42.50000110.9Q267 E268 I269 K273 N274 Q275Q267-T271 PolarHBondContact O-N 3.34Å; Q267-T271 PolarHBondContact O-OG1 3.1Å; E268-T271 PolarHBondContact O-N 2.97Å; E268-T271 VanDerWaalsContact O-N 3.15Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.89Å; T271-K273 VanDerWaalsContact C-N 3.35Å; T271-K273 PolarHBondContact O-N 3.35Å; T271-N274 PolarHBondContact O-N 3.39Å; T271-Q275 WeakPolarHBondContact O-CG 3.43Å; T271-Q275 PolarHBondContact O-N 3.42Å
272L82.9Confident78.1Confident93 Ų93102.9 Ų102.949%0.48754%0.541SS..Hα-helixtrans-64.4-37.2175.6-71.7172.9000112.2E268 I269 Q275 S276E268-L272 HydrophobicContact CG-CD1 4.06Å; E268-L272 HydrophobicContact CG-CG 4.46Å; E268-L272 WeakPolarHBondContact O-CB 3.32Å; E268-L272 WeakPolarHBondContact O-CG 3.29Å; E268-L272 PolarHBondContact O-N 2.88Å; I269-L272 PolarHBondContact O-N 3.2Å; L272-Q275 PolarHBondContact O-N 3.44Å; L272-S276 VanDerWaalsContact O-CB 3.22Å; L272-S276 WeakPolarHBondContact O-CB 3.26Å; L272-S276 PolarHBondContact O-N 3.06Å
273K82Confident76.8Confident150 Ų150102.1 Ų102.165%0.65254%0.538SS*.Hα-helixtrans-64.1-43.1176.1-170.5175-177.7179.70111.4I269 T271 S276 S277I269-K273 WeakPolarHBondContact O-CB 3.42Å; I269-K273 PolarHBondContact O-N 3.16Å; T271-K273 VanDerWaalsContact C-N 3.35Å; T271-K273 PolarHBondContact O-N 3.35Å; K273-S276 PolarHBondContact O-N 2.99Å; K273-S277 PolarHBondContact O-N 3.41Å; K273-S277 PolarHBondContact O-OG 3.49Å
274N79.4Confident75.8Confident106 Ų106101.1 Ų101.157%0.56754%0.536SS*.Hα-helixtrans-66.9-35.8176.6-67.8-12.7000112.4Q270 T271 S277 G278Q270-N274 PolarHBondContact O-N 3.37Å; Q270-N274 VanDerWaalsContact O-N 3.09Å; Q270-N274 PolarHBondContact O-ND2 3.05Å; Q270-N274 PolarHBondContact O-OD1 2.87Å; T271-N274 PolarHBondContact O-N 3.39Å; N274-S277 PolarHBondContact O-OG 3.21Å; N274-S277 VanDerWaalsContact O-OG 3.1Å; N274-G278 PolarHBondContact O-N 2.96Å
275Q77.8Confident74.9Confident116 Ų116100.4 Ų100.454%0.54253%0.532SS..Hα-helixtrans-72-41174.9-70.3173.33.200111.7T271 L272 G278 T279T271-Q275 WeakPolarHBondContact O-CG 3.43Å; T271-Q275 PolarHBondContact O-N 3.42Å; L272-Q275 PolarHBondContact O-N 3.44Å; Q275-G278 PolarHBondContact O-N 3.38Å; Q275-T279 PolarHBondContact O-N 3.3Å; Q275-T279 PolarHBondContact O-OG1 2.98Å
276S59.3Low74.4Confident72 Ų7298.1 Ų98.150%0.50353%0.528SS..Hα-helixtrans-68.8-33.9179.3179.20000113.3L272 K273 R280L272-S276 VanDerWaalsContact O-CB 3.22Å; L272-S276 WeakPolarHBondContact O-CB 3.26Å; L272-S276 PolarHBondContact O-N 3.06Å; K273-S276 PolarHBondContact O-N 2.99Å; S276-R280 WeakPolarHBondContact O-CB 3.28Å; S276-R280 PolarHBondContact O-N 2.96Å
277S59.6Low74.2Confident56 Ų56100 Ų10039%0.39253%0.534SS..Hα-helixtrans-70-39.317656.20000111.8K273 N274 E281K273-S277 PolarHBondContact O-N 3.41Å; K273-S277 PolarHBondContact O-OG 3.49Å; N274-S277 PolarHBondContact O-OG 3.21Å; N274-S277 VanDerWaalsContact O-OG 3.1Å; S277-E281 PolarHBondContact O-N 2.95Å
278G60.2Low73.8Confident51 Ų51102.6 Ų102.653%0.52654%0.538SS..Hα-helixtrans-69.8-34.7-179.700000114.5N274 Q275N274-G278 PolarHBondContact O-N 2.96Å; Q275-G278 PolarHBondContact O-N 3.38Å
279T59Low73.7Confident112 Ų112103.3 Ų103.369%0.68754%0.542SS*.Hα-helixtrans-84.7-26.7-177.8-55.30000113.5Q275 P283Q275-T279 PolarHBondContact O-N 3.3Å; Q275-T279 PolarHBondContact O-OG1 2.98Å; T279-P283 VanDerWaalsContact O-CD 3.26Å; T279-P283 WeakPolarHBondContact O-CD 3.23Å
280R59.3Low74.1Confident185 Ų185105.4 Ų105.470%0.69855%0.549SS*.Hα-helixtrans-86-30.8-175.8-169.9174.3177.9-176.7-0.4113.7S276S276-R280 WeakPolarHBondContact O-CB 3.28Å; S276-R280 PolarHBondContact O-N 2.96Å
281E59.4Low74.2Confident136 Ų136103.2 Ų103.264%0.63655%0.545SS*.Hα-helixtrans-78.2-36.3-176.9-69.3-177.8172.900112.9S277 T285S277-E281 PolarHBondContact O-N 2.95Å; E281-T285 WeakPolarHBondContact O-CB 3.47Å; E281-T285 WeakPolarHBondContact O-CG2 3.44Å; E281-T285 PolarHBondContact O-N 2.98Å; E281-T285 PolarHBondContact O-OG1 3.18Å
282A61.8Low74.6Confident57 Ų57106 Ų10647%0.47155%0.553SS.*Hα-helixtrans-63.6-43.9-173.400000116.6T285 T286A282-T285 PolarHBondContact O-OG1 2.87Å; A282-T285 VanDerWaalsContact O-OG1 3.05Å; A282-T286 PolarHBondContact O-N 3.3Å; A282-T286 PolarHBondContact O-OG1 2.98Å
283P62.7Low75.2Confident62 Ų62106.1 Ų106.140%0.40355%0.551SS.*Hα-helixtrans-74.9-39.3178.326.7-31000112.4T279 T285 T286 E287T279-P283 VanDerWaalsContact O-CD 3.26Å; T279-P283 WeakPolarHBondContact O-CD 3.23Å; P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 3.42Å; P283-T286 WeakPolarHBondContact CA-OG1 3.38Å; P283-T286 PolarHBondContact O-N 2.76Å; P283-T286 PolarHBondContact O-OG1 3.36Å; P283-T286 VanDerWaalsContact O-OG1 3.05Å; P283-E287 PolarHBondContact O-N 3.04Å; P283-E287 VanDerWaalsContact O-N 3.1Å
284D69.3Low75.9Confident101 Ų101105.8 Ų105.854%0.5455%0.55SS..Hα-helixtrans-66.2-32.9178.3-81.9-4.9000111.8R288D284-R288 WeakPolarHBondContact O-CB 3.22Å; D284-R288 PolarHBondContact O-N 2.88Å
285T75.4Confident76.7Confident68 Ų68104.4 Ų104.442%0.41754%0.544SS..Hα-helixtrans-73.3-38.2176.6540000112.6E281 A282 P283 R288 E289E281-T285 WeakPolarHBondContact O-CB 3.47Å; E281-T285 WeakPolarHBondContact O-CG2 3.44Å; E281-T285 PolarHBondContact O-N 2.98Å; E281-T285 PolarHBondContact O-OG1 3.18Å; A282-T285 PolarHBondContact O-OG1 2.87Å; A282-T285 VanDerWaalsContact O-OG1 3.05Å; P283-T285 VanDerWaalsContact C-N 3.31Å; P283-T285 PolarHBondContact O-N 3.42Å; T285-R288 PolarHBondContact O-N 2.91Å; T285-E289 WeakPolarHBondContact O-CG 3.38Å; T285-E289 PolarHBondContact O-N 2.98Å
286T81.4Confident77.6Confident71 Ų71103.9 Ų103.944%0.43654%0.542SS..Hα-helixtrans-70.8-44-179.432.20000111.8A282 P283 R288 E289 E290A282-T286 PolarHBondContact O-N 3.3Å; A282-T286 PolarHBondContact O-OG1 2.98Å; P283-T286 WeakPolarHBondContact CA-OG1 3.38Å; P283-T286 PolarHBondContact O-N 2.76Å; P283-T286 PolarHBondContact O-OG1 3.36Å; P283-T286 VanDerWaalsContact O-OG1 3.05Å; T286-R288 VanDerWaalsContact C-N 3.27Å; T286-R288 PolarHBondContact O-N 3.29Å; T286-E289 PolarHBondContact O-N 3.49Å; T286-E290 WeakPolarHBondContact O-CG 3.32Å; T286-E290 PolarHBondContact O-N 3.44Å
287E83.4Confident79.4Confident124 Ų124104.6 Ų104.658%0.57954%0.54SS*.Hα-helixtrans-62.9-35.8173.9-69.3-175.4-178.300112P283 T291P283-E287 PolarHBondContact O-N 3.04Å; P283-E287 VanDerWaalsContact O-N 3.1Å; E287-T291 WeakPolarHBondContact O-CB 3.5Å; E287-T291 VanDerWaalsContact O-CG2 3.3Å; E287-T291 WeakPolarHBondContact O-CG2 3.43Å; E287-T291 PolarHBondContact O-N 3.42Å; E287-T291 PolarHBondContact O-OG1 2.86Å
288R84.9Confident81.1Confident180 Ų180107.3 Ų107.368%0.67955%0.55SS*.Hα-helixtrans-66.7-39.7174.9-174175.9177.6173.8-0.5112.4D284 T285 T286 T291 Q292D284-R288 WeakPolarHBondContact O-CB 3.22Å; D284-R288 PolarHBondContact O-N 2.88Å; T285-R288 PolarHBondContact O-N 2.91Å; T286-R288 VanDerWaalsContact C-N 3.27Å; T286-R288 PolarHBondContact O-N 3.29Å; R288-T291 WeakPolarHBondContact CA-OG1 3.47Å; R288-T291 PolarHBondContact O-OG1 3.41Å; R288-Q292 WeakPolarHBondContact O-CB 3.3Å; R288-Q292 PolarHBondContact O-N 3.25Å
289E90.4Very high82.8Confident127 Ų127110.8 Ų110.859%0.59355%0.553SS**Hα-helixtrans-66.8-43175.4-76.3173-175.100111.7T285 T286 Q292 Q293T285-E289 WeakPolarHBondContact O-CG 3.38Å; T285-E289 PolarHBondContact O-N 2.98Å; T286-E289 PolarHBondContact O-N 3.49Å; E289-Q292 PolarHBondContact O-N 3.47Å; E289-Q293 WeakPolarHBondContact O-CB 3.39Å; E289-Q293 PolarHBondContact O-N 3.31Å
290E93.4Very high84.6Confident144 Ų144109.7 Ų109.767%0.67355%0.546SS*.Hα-helixtrans-63.3-43.7176.6-73.9-175.2176.800112.4T286 Q292 Q293 K294T286-E290 WeakPolarHBondContact O-CG 3.32Å; T286-E290 PolarHBondContact O-N 3.44Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; E290-Q293 PolarHBondContact O-N 2.97Å; E290-K294 WeakPolarHBondContact O-CB 3.33Å; E290-K294 PolarHBondContact O-N 3.08Å
291T90.3Very high86.5Confident84 Ų84107.3 Ų107.352%0.51554%0.537SS..Hα-helixtrans-65.5-38.9176.250.70000111.5E287 R288 K294 V295E287-T291 WeakPolarHBondContact O-CB 3.5Å; E287-T291 VanDerWaalsContact O-CG2 3.3Å; E287-T291 WeakPolarHBondContact O-CG2 3.43Å; E287-T291 PolarHBondContact O-N 3.42Å; E287-T291 PolarHBondContact O-OG1 2.86Å; R288-T291 WeakPolarHBondContact CA-OG1 3.47Å; R288-T291 PolarHBondContact O-OG1 3.41Å; T291-K294 PolarHBondContact O-N 3.48Å; T291-V295 WeakPolarHBondContact O-CG2 3.47Å; T291-V295 PolarHBondContact O-N 3.44Å
292Q94.2Very high88.1Confident130 Ų130105.3 Ų105.361%0.60753%0.53SS*.Hα-helixtrans-65.7-42.1176.2-173.1166.7-300112.2R288 E289 E290 K294 V295 Q296R288-Q292 WeakPolarHBondContact O-CB 3.3Å; R288-Q292 PolarHBondContact O-N 3.25Å; E289-Q292 PolarHBondContact O-N 3.47Å; E290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3.4Å; Q292-V295 PolarHBondContact O-N 3.25Å; Q292-Q296 PolarHBondContact O-N 3.2Å
293Q96.5Very high89.9Confident97 Ų97105 Ų10545%0.45353%0.528SS..Hα-helixtrans-61.7-43.7174.4-173.660.848.200111.2E289 E290 V295 Q296 D297E289-Q293 WeakPolarHBondContact O-CB 3.39Å; E289-Q293 PolarHBondContact O-N 3.31Å; E290-Q293 PolarHBondContact O-N 2.97Å; Q293-V295 VanDerWaalsContact C-N 3.33Å; Q293-V295 PolarHBondContact O-N 3Å; Q293-Q296 WeakPolarHBondContact O-CB 3.41Å; Q293-Q296 PolarHBondContact O-N 3.36Å; Q293-Q296 VanDerWaalsContact O-N 3.16Å; Q293-D297 PolarHBondContact NE2-OD1 3.33Å; Q293-D297 PolarHBondContact O-N 2.96Å
294K97.2Very high91.5Very high143 Ų143106 Ų10662%0.62253%0.527SS*.Hα-helixtrans-64.3-36.6178.9-169.2169.4-176.1175.60112.8E290 T291 Q292 L298E290-K294 WeakPolarHBondContact O-CB 3.33Å; E290-K294 PolarHBondContact O-N 3.08Å; T291-K294 PolarHBondContact O-N 3.48Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3.4Å; K294-L298 VanDerWaalsContact O-CG 3.3Å; K294-L298 WeakPolarHBondContact O-CG 3.4Å; K294-L298 PolarHBondContact O-N 2.87Å; K294-L298 VanDerWaalsContact O-N 3.07Å
295V94.6Very high92.9Very high76 Ų76104.9 Ų104.946%0.46152%0.521SS..Hα-helixtrans-63.5-45.51731690000110.2T291 Q292 Q293 D297 L298 E299T291-V295 WeakPolarHBondContact O-CG2 3.47Å; T291-V295 PolarHBondContact O-N 3.44Å; Q292-V295 PolarHBondContact O-N 3.25Å; Q293-V295 VanDerWaalsContact C-N 3.33Å; Q293-V295 PolarHBondContact O-N 3Å; V295-D297 PolarHBondContact O-N 3.11Å; V295-L298 PolarHBondContact O-N 3.15Å; V295-E299 HydrophobicContact CG1-CG 4.34Å; V295-E299 WeakPolarHBondContact O-CG 3.49Å; V295-E299 PolarHBondContact O-N 2.88Å
296Q97.1Very high93.9Very high105 Ų105106.4 Ų106.449%0.49152%0.523SS..Hα-helixtrans-62-41.9178.9-167.3172.432.200112.4Q292 Q293 L298 E299 T300Q292-Q296 PolarHBondContact O-N 3.2Å; Q293-Q296 WeakPolarHBondContact O-CB 3.41Å; Q293-Q296 PolarHBondContact O-N 3.36Å; Q293-Q296 VanDerWaalsContact O-N 3.16Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-L298 PolarHBondContact O-N 3.41Å; Q296-E299 PolarHBondContact O-N 3.06Å; Q296-T300 WeakPolarHBondContact O-CG2 3.35Å; Q296-T300 PolarHBondContact O-N 3.05Å; Q296-T300 PolarHBondContact O-OG1 3.38Å
297D97.1Very high94.7Very high88 Ų88109 Ų10947%0.47153%0.53SS..Hα-helixtrans-64.2-39.3176.2-67.9-8.1000111.6Q293 V295 T300 R301Q293-D297 PolarHBondContact NE2-OD1 3.33Å; Q293-D297 PolarHBondContact O-N 2.96Å; V295-D297 PolarHBondContact O-N 3.11Å; D297-T300 PolarHBondContact O-OG1 3.48Å; D297-R301 WeakPolarHBondContact O-CB 3.48Å; D297-R301 PolarHBondContact O-N 3.32Å
298L95.3Very high95.4Very high113 Ų113107.6 Ų107.659%0.59252%0.524SS*.Hα-helixtrans-68.1-39.4175.4-72.6173.5000112.2K294 V295 Q296 R301 N302K294-L298 VanDerWaalsContact O-CG 3.3Å; K294-L298 WeakPolarHBondContact O-CG 3.4Å; K294-L298 PolarHBondContact O-N 2.87Å; K294-L298 VanDerWaalsContact O-N 3.07Å; V295-L298 PolarHBondContact O-N 3.15Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-L298 PolarHBondContact O-N 3.41Å; L298-R301 PolarHBondContact O-N 3.48Å; L298-N302 VanDerWaalsContact O-CB 3.28Å; L298-N302 WeakPolarHBondContact O-CB 3.4Å; L298-N302 PolarHBondContact O-N 3.07Å
299E96.3Very high96Very high124 Ų124104.1 Ų104.158%0.57952%0.518SS*.Hα-helixtrans-62.5-45.5176.4-75.1175.7170.300111.7V295 Q296 N302 A303V295-E299 HydrophobicContact CG1-CG 4.34Å; V295-E299 WeakPolarHBondContact O-CG 3.49Å; V295-E299 PolarHBondContact O-N 2.88Å; Q296-E299 PolarHBondContact O-N 3.06Å; E299-N302 PolarHBondContact O-N 2.88Å; E299-A303 WeakPolarHBondContact O-CB 3.28Å; E299-A303 PolarHBondContact O-N 2.98Å
300T97.8Very high96.4Very high88 Ų88105.1 Ų105.154%0.5452%0.516SS..Hα-helixtrans-63.6-42.5176.956.90000111.7Q296 D297 N302 A303 E304Q296-T300 WeakPolarHBondContact O-CG2 3.35Å; Q296-T300 PolarHBondContact O-N 3.05Å; Q296-T300 PolarHBondContact O-OG1 3.38Å; D297-T300 PolarHBondContact O-OG1 3.48Å; T300-N302 VanDerWaalsContact C-N 3.34Å; T300-N302 PolarHBondContact O-N 2.93Å; T300-A303 PolarHBondContact O-N 2.98Å; T300-E304 PolarHBondContact O-N 3Å
301R97.8Very high96.6Very high136 Ų136102 Ų10251%0.51351%0.507SS..Hα-helixtrans-65.5-38.2177-167.563.7176.6171.6-1.2112.3D297 L298 E304 L305D297-R301 WeakPolarHBondContact O-CB 3.48Å; D297-R301 PolarHBondContact O-N 3.32Å; L298-R301 PolarHBondContact O-N 3.48Å; R301-E304 IonicContact CZ-OE2 3.34Å; R301-E304 IonicContact NH1-OE1 3.03Å; R301-E304 IonicContact NH1-OE2 2.66Å; R301-E304 PolarHBondContact NH1-OE2 2.85Å; R301-E304 PolarHBondContact O-N 3Å; R301-L305 WeakPolarHBondContact O-CG 3.4Å; R301-L305 PolarHBondContact O-N 3.41Å
302N94.4Very high96.9Very high93 Ų93103.9 Ų103.950%0.49751%0.512SS..Hα-helixtrans-66.8-43.2177.6-158.17.4000111L298 E299 T300 E304 L305 E306L298-N302 VanDerWaalsContact O-CB 3.28Å; L298-N302 WeakPolarHBondContact O-CB 3.4Å; L298-N302 PolarHBondContact O-N 3.07Å; E299-N302 PolarHBondContact O-N 2.88Å; T300-N302 VanDerWaalsContact C-N 3.34Å; T300-N302 PolarHBondContact O-N 2.93Å; N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 3.3Å; N302-L305 PolarHBondContact O-N 3.03Å; N302-E306 WeakPolarHBondContact O-CG 3.46Å; N302-E306 PolarHBondContact O-N 3.31Å
303A97.6Very high97.1Very high51 Ų51103.2 Ų103.242%0.42151%0.508SS..Hα-helixtrans-60.1-38.7174.600000112.6E299 T300 Q307E299-A303 WeakPolarHBondContact O-CB 3.28Å; E299-A303 PolarHBondContact O-N 2.98Å; T300-A303 PolarHBondContact O-N 2.98Å; A303-Q307 PolarHBondContact O-N 2.67Å
304E98Very high97.1Very high83 Ų83101.6 Ų101.639%0.38851%0.507SS..Hα-helixtrans-65-44.4175.2-169-176.3-178.200111.8T300 R301 N302 Q307 Q308T300-E304 PolarHBondContact O-N 3Å; R301-E304 IonicContact CZ-OE2 3.34Å; R301-E304 IonicContact NH1-OE1 3.03Å; R301-E304 IonicContact NH1-OE2 2.66Å; R301-E304 PolarHBondContact NH1-OE2 2.85Å; R301-E304 PolarHBondContact O-N 3Å; N302-E304 VanDerWaalsContact C-N 3.3Å; N302-E304 PolarHBondContact O-N 3.3Å; E304-Q307 PolarHBondContact O-N 3.01Å; E304-Q308 WeakPolarHBondContact O-CG 3.48Å; E304-Q308 PolarHBondContact O-N 2.93Å
305L97.3Very high97.2Very high77 Ų7797.8 Ų97.840%0.40350%0.498SS..Hα-helixtrans-64.3-41.2176.4-72.2172.8000112.1R301 N302 Q307 Q308 L309R301-L305 WeakPolarHBondContact O-CG 3.4Å; R301-L305 PolarHBondContact O-N 3.41Å; N302-L305 PolarHBondContact O-N 3.03Å; L305-Q307 VanDerWaalsContact C-N 3.3Å; L305-Q307 PolarHBondContact O-N 3.29Å; L305-Q308 PolarHBondContact O-N 3.41Å; L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.48Å; L305-L309 PolarHBondContact O-N 3.24Å
306E96.8Very high97.3Very high100 Ų10098.1 Ų98.147%0.46750%0.497SS..Hα-helixtrans-63.1-36174.2-74-179.3176.300112.3N302 R310N302-E306 WeakPolarHBondContact O-CG 3.46Å; N302-E306 PolarHBondContact O-N 3.31Å; E306-R310 WeakPolarHBondContact O-CG 3.06Å; E306-R310 PolarHBondContact O-N 2.99Å; E306-R310 VanDerWaalsContact O-N 3.11Å; E306-R310 PolarHBondContact O-NE 3.3Å; E306-R310 VanDerWaalsContact O-NE 3.15Å
307Q98.4Very high97.4Very high125 Ų12599.2 Ų99.258%0.58450%0.503SS*.Hα-helixtrans-66.9-45.1173.4-174.9175.4-0.700111.3A303 E304 L305 L309 R310 T311A303-Q307 PolarHBondContact O-N 2.67Å; E304-Q307 PolarHBondContact O-N 3.01Å; L305-Q307 VanDerWaalsContact C-N 3.3Å; L305-Q307 PolarHBondContact O-N 3.29Å; Q307-L309 PolarHBondContact O-N 2.89Å; Q307-R310 PolarHBondContact O-N 2.95Å; Q307-T311 PolarHBondContact O-N 3.24Å; Q307-T311 PolarHBondContact O-OG1 3.49Å; Q307-T311 VanDerWaalsContact O-OG1 3.14Å
308Q98.1Very high97.4Very high95 Ų95101 Ų10144%0.44451%0.508SS..Hα-helixtrans-60.9-43.4176.9-72.5178.70.800111.9E304 L305 T311 M312E304-Q308 WeakPolarHBondContact O-CG 3.48Å; E304-Q308 PolarHBondContact O-N 2.93Å; L305-Q308 PolarHBondContact O-N 3.41Å; Q308-T311 PolarHBondContact O-N 3.48Å; Q308-M312 WeakPolarHBondContact O-CG 3.5Å; Q308-M312 PolarHBondContact O-N 2.91Å
309L97.6Very high97.5Very high107 Ų10798.6 Ų98.656%0.5650%0.504SS*.Hα-helixtrans-58.2-49.8175.3-79.6169.3000111.3L305 Q307 T311 M312 E313L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.48Å; L305-L309 PolarHBondContact O-N 3.24Å; Q307-L309 PolarHBondContact O-N 2.89Å; L309-T311 VanDerWaalsContact C-N 3.29Å; L309-T311 PolarHBondContact O-N 3.24Å; L309-M312 PolarHBondContact O-N 3.33Å; L309-M312 VanDerWaalsContact O-N 3.13Å; L309-E313 WeakPolarHBondContact O-CB 3.26Å; L309-E313 WeakPolarHBondContact O-CG 3.39Å; L309-E313 PolarHBondContact O-N 3.16Å
310R98.1Very high97.6Very high149 Ų149100.5 Ų100.556%0.56251%0.506SS*.Hα-helixtrans-58.8-39.7177.5-76.3-179.8-74.1-161-3.4112.8E306 Q307 C314E306-R310 WeakPolarHBondContact O-CG 3.06Å; E306-R310 PolarHBondContact O-N 2.99Å; E306-R310 VanDerWaalsContact O-N 3.11Å; E306-R310 PolarHBondContact O-NE 3.3Å; E306-R310 VanDerWaalsContact O-NE 3.15Å; Q307-R310 PolarHBondContact O-N 2.95Å; R310-C314 WeakPolarHBondContact O-CB 3.28Å; R310-C314 PolarHBondContact O-N 2.92Å
311T98.3Very high97.6Very high79 Ų7998.7 Ų98.749%0.48550%0.5SS..Hα-helixtrans-65.7-43.6175.9-58.30000111.8Q307 Q308 L309 C314 S315Q307-T311 PolarHBondContact O-N 3.24Å; Q307-T311 PolarHBondContact O-OG1 3.49Å; Q307-T311 VanDerWaalsContact O-OG1 3.14Å; Q308-T311 PolarHBondContact O-N 3.48Å; L309-T311 VanDerWaalsContact C-N 3.29Å; L309-T311 PolarHBondContact O-N 3.24Å; T311-C314 PolarHBondContact O-N 3.45Å; T311-S315 WeakPolarHBondContact O-CB 3.34Å; T311-S315 PolarHBondContact O-N 3.43Å
312M97.4Very high97.6Very high122 Ų12297.1 Ų97.160%0.60150%0.499SS*.Hα-helixtrans-65.9-40.1177.3-68.8-61.5108.100111.9Q308 L309 S315 L316Q308-M312 WeakPolarHBondContact O-CG 3.5Å; Q308-M312 PolarHBondContact O-N 2.91Å; L309-M312 PolarHBondContact O-N 3.33Å; L309-M312 VanDerWaalsContact O-N 3.13Å; M312-S315 PolarHBondContact O-N 3.03Å; M312-L316 VanDerWaalsContact O-CB 3.26Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 3.02Å
313E97.2Very high97.8Very high116 Ų116100.3 Ų100.354%0.54250%0.504SS..Hα-helixtrans-60.7-48.9175.3-74.6174.7155.600111.5L309 S315 L316 E317L309-E313 WeakPolarHBondContact O-CB 3.26Å; L309-E313 WeakPolarHBondContact O-CG 3.39Å; L309-E313 PolarHBondContact O-N 3.16Å; E313-S315 PolarHBondContact O-N 3.49Å; E313-L316 PolarHBondContact O-N 2.82Å; E313-L316 VanDerWaalsContact O-N 3.16Å; E313-E317 WeakPolarHBondContact O-CG 3.44Å; E313-E317 PolarHBondContact O-N 3.28Å
314C97.9Very high97.8Very high63 Ų63102.4 Ų102.443%0.42651%0.505SS..Hα-helixtrans-59-47.1176.9-169.30000111.6R310 T311 L316 E317 E318R310-C314 WeakPolarHBondContact O-CB 3.28Å; R310-C314 PolarHBondContact O-N 2.92Å; T311-C314 PolarHBondContact O-N 3.45Å; C314-L316 VanDerWaalsContact C-N 3.27Å; C314-L316 PolarHBondContact O-N 3.13Å; C314-E317 PolarHBondContact O-N 3.02Å; C314-E318 WeakPolarHBondContact O-CG 3.37Å; C314-E318 PolarHBondContact O-N 2.87Å
315S98Very high97.8Very high63 Ų63105.3 Ų105.344%0.44151%0.512SS..Hα-helixtrans-60.8-37.4176.81790000112.4T311 M312 E313 A319T311-S315 WeakPolarHBondContact O-CB 3.34Å; T311-S315 PolarHBondContact O-N 3.43Å; M312-S315 PolarHBondContact O-N 3.03Å; E313-S315 PolarHBondContact O-N 3.49Å; S315-A319 WeakPolarHBondContact O-CB 3.4Å; S315-A319 PolarHBondContact O-N 3.26Å
316L97.8Very high97.8Very high84 Ų84103.7 Ų103.744%0.4451%0.51SS..Hα-helixtrans-70.7-39.5178.9-164.8155.7000111.4M312 E313 C314 A319 R320M312-L316 VanDerWaalsContact O-CB 3.26Å; M312-L316 WeakPolarHBondContact O-CB 3.49Å; M312-L316 PolarHBondContact O-N 3.02Å; E313-L316 PolarHBondContact O-N 2.82Å; E313-L316 VanDerWaalsContact O-N 3.16Å; C314-L316 VanDerWaalsContact C-N 3.27Å; C314-L316 PolarHBondContact O-N 3.13Å; L316-A319 PolarHBondContact O-N 2.94Å; L316-R320 HydrophobicContact CD2-CG 4.11Å; L316-R320 VanDerWaalsContact CD2-NH1 3.33Å; L316-R320 VanDerWaalsContact CD2-NH2 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.47Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 3.32Å
317E97.8Very high97.9Very high128 Ų128105 Ų10560%0.59851%0.51SS*.Hα-helixtrans-62.5-44.6172.8-72.9-177.5172.200112.1E313 C314 A319 R320 A321E313-E317 WeakPolarHBondContact O-CG 3.44Å; E313-E317 PolarHBondContact O-N 3.28Å; C314-E317 PolarHBondContact O-N 3.02Å; E317-A319 PolarHBondContact O-N 3.31Å; E317-R320 PolarHBondContact O-N 3.48Å; E317-A321 WeakPolarHBondContact O-CB 3.39Å; E317-A321 PolarHBondContact O-N 3.45Å
318E97.9Very high97.9Very high125 Ų125104 Ų10458%0.58451%0.513SS*.Hα-helixtrans-59.7-45.5174.3-72.3177.2168.200111.6C314 R320 A321 E322C314-E318 WeakPolarHBondContact O-CG 3.37Å; C314-E318 PolarHBondContact O-N 2.87Å; E318-R320 VanDerWaalsContact C-N 3.33Å; E318-R320 PolarHBondContact O-N 3.14Å; E318-A321 PolarHBondContact O-N 3.24Å; E318-E322 WeakPolarHBondContact O-CB 3.34Å; E318-E322 PolarHBondContact O-N 2.94Å
319A97.4Very high97.9Very high62 Ų62106.1 Ų106.151%0.51252%0.523SS..Hα-helixtrans-63.6-37177.100000112.6S315 L316 E317 R323S315-A319 WeakPolarHBondContact O-CB 3.4Å; S315-A319 PolarHBondContact O-N 3.26Å; L316-A319 PolarHBondContact O-N 2.94Å; E317-A319 PolarHBondContact O-N 3.31Å; A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 2.94Å
320R97.8Very high97.9Very high165 Ų165105.9 Ų105.962%0.62353%0.526SS*.Hα-helixtrans-65.8-44.8173.5-77.1175.6176.4152.92.5111.4L316 E317 E318 E322 R323 E324L316-R320 HydrophobicContact CD2-CG 4.11Å; L316-R320 VanDerWaalsContact CD2-NH1 3.33Å; L316-R320 VanDerWaalsContact CD2-NH2 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.47Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 3.32Å; E317-R320 PolarHBondContact O-N 3.48Å; E318-R320 VanDerWaalsContact C-N 3.33Å; E318-R320 PolarHBondContact O-N 3.14Å; R320-E322 VanDerWaalsContact C-N 3.32Å; R320-E322 PolarHBondContact O-N 3.03Å; R320-R323 PolarHBondContact O-N 3.39Å; R320-E324 PolarHBondContact O-N 2.72Å
321A97.9Very high97.9Very high50 Ų50100.3 Ų100.341%0.41352%0.515SS..Hα-helixtrans-61.8-42.4177.400000111.2E317 E318 E324 R325E317-A321 WeakPolarHBondContact O-CB 3.39Å; E317-A321 PolarHBondContact O-N 3.45Å; E318-A321 PolarHBondContact O-N 3.24Å; A321-E324 PolarHBondContact O-N 3.08Å; A321-R325 WeakPolarHBondContact O-CG 3.38Å; A321-R325 PolarHBondContact O-N 2.94Å
322E98.2Very high97.9Very high103 Ų103105.9 Ų105.948%0.48153%0.526SS..Hα-helixtrans-62.7-43.5175.7-166.658.7-152.100112.1E318 R320 E324 R325 A326E318-E322 WeakPolarHBondContact O-CB 3.34Å; E318-E322 PolarHBondContact O-N 2.94Å; R320-E322 VanDerWaalsContact C-N 3.32Å; R320-E322 PolarHBondContact O-N 3.03Å; E322-E324 VanDerWaalsContact C-N 3.29Å; E322-E324 PolarHBondContact O-N 3.42Å; E322-R325 PolarHBondContact O-N 3.46Å; E322-R325 IonicContact OE2-CZ 3.1Å; E322-R325 IonicContact OE2-NE 2.8Å; E322-R325 PolarHBondContact OE2-NE 3.27Å; E322-R325 IonicContact OE2-NH2 2.64Å; E322-R325 PolarHBondContact OE2-NH2 3.2Å; E322-A326 PolarHBondContact O-N 2.96Å
323R97.6Very high98Very high160 Ų160102.6 Ų102.660%0.60452%0.519SS*.Hα-helixtrans-60.6-39175.7-174.1178.7-177.5172.62.8112.1A319 R320 R327A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 2.94Å; R320-R323 PolarHBondContact O-N 3.39Å; R323-R327 WeakPolarHBondContact O-CG 3.46Å; R323-R327 PolarHBondContact O-N 3.38Å
324E98.1Very high98Very high94 Ų9499.2 Ų99.244%0.43951%0.511SS..Hα-helixtrans-71.8-37.5176.1-72.5-48.1155.300113.3R320 A321 E322 A326 R327 V328R320-E324 PolarHBondContact O-N 2.72Å; A321-E324 PolarHBondContact O-N 3.08Å; E322-E324 VanDerWaalsContact C-N 3.29Å; E322-E324 PolarHBondContact O-N 3.42Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.45Å; E324-R327 PolarHBondContact O-N 3.22Å; E324-R327 IonicContact OE1-CZ 2.78Å; E324-R327 IonicContact OE1-NH1 2.65Å; E324-R327 PolarHBondContact OE1-NH1 2.98Å; E324-R327 WeakPolarHBondContact OE2-CD 3.34Å; E324-R327 IonicContact OE2-NH1 2.79Å; E324-V328 WeakPolarHBondContact O-CG2 3.44Å; E324-V328 PolarHBondContact O-N 3Å
325R98.4Very high98Very high144 Ų144102.5 Ų102.554%0.54352%0.52SS..Hα-helixtrans-56.5-49.6170.7-73.2-169.6-77.4-146.7-4.9111A321 E322 R327 V328 E329A321-R325 WeakPolarHBondContact O-CG 3.38Å; A321-R325 PolarHBondContact O-N 2.94Å; E322-R325 PolarHBondContact O-N 3.46Å; E322-R325 IonicContact OE2-CZ 3.1Å; E322-R325 IonicContact OE2-NE 2.8Å; E322-R325 PolarHBondContact OE2-NE 3.27Å; E322-R325 IonicContact OE2-NH2 2.64Å; E322-R325 PolarHBondContact OE2-NH2 3.2Å; R325-R327 VanDerWaalsContact C-N 3.33Å; R325-R327 PolarHBondContact O-N 3.37Å; R325-V328 PolarHBondContact O-N 3.46Å; R325-E329 WeakPolarHBondContact O-CG 3.48Å; R325-E329 PolarHBondContact O-N 2.93Å
326A97.9Very high98Very high43 Ų43104.3 Ų104.336%0.35552%0.524SS..Hα-helixtrans-60.6-39.817700000112.6E322 E324 E329 V330E322-A326 PolarHBondContact O-N 2.96Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.45Å; A326-E329 PolarHBondContact O-N 2.98Å; A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.38Å; A326-V330 PolarHBondContact O-N 3.24Å
327R98.2Very high98Very high127 Ų127105.7 Ų105.748%0.47953%0.531SS..Hα-helixtrans-62.2-43175.5-81.2172.1166.1179.3-3.6112.4R323 E324 R325 V330 G331R323-R327 WeakPolarHBondContact O-CG 3.46Å; R323-R327 PolarHBondContact O-N 3.38Å; E324-R327 PolarHBondContact O-N 3.22Å; E324-R327 IonicContact OE1-CZ 2.78Å; E324-R327 IonicContact OE1-NH1 2.65Å; E324-R327 PolarHBondContact OE1-NH1 2.98Å; E324-R327 WeakPolarHBondContact OE2-CD 3.34Å; E324-R327 IonicContact OE2-NH1 2.79Å; R325-R327 VanDerWaalsContact C-N 3.33Å; R325-R327 PolarHBondContact O-N 3.37Å; R327-V330 PolarHBondContact O-N 3.26Å; R327-G331 PolarHBondContact O-N 2.88Å
328V98.4Very high98Very high104 Ų104104.5 Ų104.563%0.6353%0.529SS*.Hα-helixtrans-63.8-42.6177.11720000110.8E324 R325 G331 R332E324-V328 WeakPolarHBondContact O-CG2 3.44Å; E324-V328 PolarHBondContact O-N 3Å; R325-V328 PolarHBondContact O-N 3.46Å; V328-G331 PolarHBondContact O-N 3.42Å; V328-R332 PolarHBondContact O-N 3.27Å
329E98.2Very high98.1Very high140 Ų140102.2 Ų102.265%0.65452%0.524SS*.Hα-helixtrans-62.9-44.5176.8-72-179.1175.500112.5R325 A326 G331 R332 A333R325-E329 WeakPolarHBondContact O-CG 3.48Å; R325-E329 PolarHBondContact O-N 2.93Å; A326-E329 PolarHBondContact O-N 2.98Å; E329-G331 VanDerWaalsContact C-N 3.32Å; E329-G331 PolarHBondContact O-N 2.95Å; E329-R332 PolarHBondContact O-N 2.99Å; E329-A333 PolarHBondContact O-N 3Å
330V98.3Very high98.1Very high103 Ų103105.6 Ų105.662%0.62452%0.523SS*.Hα-helixtrans-60.9-42.5174.1170.60000111A326 R327 R332 A333 A334A326-V330 VanDerWaalsContact O-CG2 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.38Å; A326-V330 PolarHBondContact O-N 3.24Å; R327-V330 PolarHBondContact O-N 3.26Å; V330-R332 VanDerWaalsContact C-N 3.34Å; V330-R332 PolarHBondContact O-N 3.48Å; V330-A333 PolarHBondContact O-N 2.94Å; V330-A334 PolarHBondContact O-N 3.44Å
331G97.8Very high98.1Very high32 Ų32102.6 Ų102.633%0.3352%0.519SS..Hα-helixtrans-60.2-42.1175.600000112.7R327 V328 E329 A334 Q335R327-G331 PolarHBondContact O-N 2.88Å; V328-G331 PolarHBondContact O-N 3.42Å; E329-G331 VanDerWaalsContact C-N 3.32Å; E329-G331 PolarHBondContact O-N 2.95Å; G331-A334 PolarHBondContact O-N 2.66Å; G331-Q335 WeakPolarHBondContact O-CG 3.44Å; G331-Q335 PolarHBondContact O-N 3.03Å; G331-Q335 VanDerWaalsContact O-N 3.08Å
332R98.3Very high98.1Very high195 Ų195106.3 Ų106.374%0.73653%0.526SS*.Hα-helixtrans-65.5-41.1175.6-173-178.4179.1-169.80.2112.1V328 E329 V330 Q335 L336V328-R332 PolarHBondContact O-N 3.27Å; E329-R332 PolarHBondContact O-N 2.99Å; V330-R332 VanDerWaalsContact C-N 3.34Å; V330-R332 PolarHBondContact O-N 3.48Å; R332-Q335 PolarHBondContact O-N 3.36Å; R332-L336 PolarHBondContact O-N 3.19Å; R332-L336 VanDerWaalsContact O-N 3.08Å
333A98Very high98.1Very high53 Ų53104.9 Ų104.944%0.43852%0.519SS..Hα-helixtrans-64-41.3176.500000111.8E329 V330 L336 L337E329-A333 PolarHBondContact O-N 3Å; V330-A333 PolarHBondContact O-N 2.94Å; A333-L336 PolarHBondContact O-N 3.38Å; A333-L337 WeakPolarHBondContact O-CG 3.34Å; A333-L337 PolarHBondContact O-N 3.11Å
334A97.7Very high98.1Very high45 Ų45102.5 Ų102.537%0.37252%0.518SS..Hα-helixtrans-60.5-47.2175.200000111.8V330 G331 L336 L337 D338V330-A334 PolarHBondContact O-N 3.44Å; G331-A334 PolarHBondContact O-N 2.66Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 3.41Å; A334-L337 WeakPolarHBondContact O-CB 3.19Å; A334-L337 PolarHBondContact O-N 2.98Å; A334-L337 VanDerWaalsContact O-N 3.11Å; A334-D338 PolarHBondContact O-N 3.05Å
335Q98Very high98Very high132 Ų132100.5 Ų100.562%0.61751%0.514SS*.Hα-helixtrans-58.5-40.5175.9-71.7171.6-100112.5G331 R332 D338 V339G331-Q335 WeakPolarHBondContact O-CG 3.44Å; G331-Q335 PolarHBondContact O-N 3.03Å; G331-Q335 VanDerWaalsContact O-N 3.08Å; R332-Q335 PolarHBondContact O-N 3.36Å; Q335-D338 PolarHBondContact O-N 3.33Å; Q335-V339 WeakPolarHBondContact O-CG2 3.39Å; Q335-V339 PolarHBondContact O-N 3.28Å
336L98.4Very high98Very high102 Ų10298.9 Ų98.953%0.53451%0.513SS..Hα-helixtrans-65.1-41.6176.6-178.862.2000111.5R332 A333 A334 D338 V339 R340R332-L336 PolarHBondContact O-N 3.19Å; R332-L336 VanDerWaalsContact O-N 3.08Å; A333-L336 PolarHBondContact O-N 3.38Å; A334-L336 VanDerWaalsContact C-N 3.29Å; A334-L336 PolarHBondContact O-N 3.41Å; L336-D338 VanDerWaalsContact C-N 3.34Å; L336-V339 PolarHBondContact O-N 3.43Å; L336-R340 WeakPolarHBondContact O-CG 3.45Å; L336-R340 PolarHBondContact O-N 2.94Å
337L98.2Very high98Very high112 Ų112102.3 Ų102.359%0.58653%0.525SS*.Hα-helixtrans-62.4-41.2176.2-73172.2000111.7A333 A334 V339 R340 L341A333-L337 WeakPolarHBondContact O-CG 3.34Å; A333-L337 PolarHBondContact O-N 3.11Å; A334-L337 WeakPolarHBondContact O-CB 3.19Å; A334-L337 PolarHBondContact O-N 2.98Å; A334-L337 VanDerWaalsContact O-N 3.11Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 2.92Å; L337-R340 PolarHBondContact O-N 3.36Å; L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CG 3.37Å; L337-L341 PolarHBondContact O-N 2.92Å
338D98.1Very high97.9Very high104 Ų104105 Ų10556%0.55654%0.535SS*.Hα-helixtrans-59.6-44.2176.8-70.2-26.4000111.6A334 Q335 L336 L341 F342A334-D338 PolarHBondContact O-N 3.05Å; Q335-D338 PolarHBondContact O-N 3.33Å; L336-D338 VanDerWaalsContact C-N 3.34Å; D338-L341 PolarHBondContact O-N 3.08Å; D338-F342 PolarHBondContact O-N 3.36Å
339V98.2Very high97.8Very high77 Ų77104.9 Ų104.947%0.46753%0.527SS..Hα-helixtrans-61.6-45.4175.4174.70000111Q335 L336 L337 L341 F342 E343Q335-V339 WeakPolarHBondContact O-CG2 3.39Å; Q335-V339 PolarHBondContact O-N 3.28Å; L336-V339 PolarHBondContact O-N 3.43Å; L337-V339 VanDerWaalsContact C-N 3.34Å; L337-V339 PolarHBondContact O-N 2.92Å; V339-L341 PolarHBondContact O-N 3.27Å; V339-F342 WeakPolarHBondContact O-CB 3.37Å; V339-F342 PolarHBondContact O-N 2.64Å; V339-E343 WeakPolarHBondContact O-CG 3.42Å; V339-E343 PolarHBondContact O-N 2.95Å
340R98Very high97.7Very high133 Ų13399.8 Ų99.850%0.50251%0.513SS..Hα-helixtrans-65.7-37.8178.6-66.4-52.9-173.4-171.7-2.3112.8L336 L337 F342 E343 L344L336-R340 WeakPolarHBondContact O-CG 3.45Å; L336-R340 PolarHBondContact O-N 2.94Å; L337-R340 PolarHBondContact O-N 3.36Å; R340-F342 VanDerWaalsContact C-N 3.31Å; R340-E343 WeakPolarHBondContact CD-OE2 3.48Å; R340-E343 IonicContact CZ-OE2 3.66Å; R340-E343 IonicContact NE-OE2 3.84Å; R340-E343 IonicContact NH1-OE1 3.42Å; R340-E343 PolarHBondContact NH1-OE1 3.31Å; R340-E343 IonicContact NH1-OE2 2.71Å; R340-E343 PolarHBondContact NH1-OE2 3.47Å; R340-E343 PolarHBondContact O-N 2.88Å; R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 VanDerWaalsContact O-CG 3.31Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.97Å
341L98.1Very high97.6Very high102 Ų102100.6 Ų100.653%0.53451%0.513SS..Hα-helixtrans-64.7-38.4175.2-76.3172.6000111.5L337 D338 V339 S345L337-L341 WeakPolarHBondContact O-CB 3.32Å; L337-L341 WeakPolarHBondContact O-CG 3.37Å; L337-L341 PolarHBondContact O-N 2.92Å; D338-L341 PolarHBondContact O-N 3.08Å; V339-L341 PolarHBondContact O-N 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.43Å; L341-S345 PolarHBondContact O-N 3.3Å; L341-S345 PolarHBondContact O-OG 3.43Å
342F98Very high97.4Very high127 Ų127101.4 Ų101.456%0.55752%0.516SS*.Hα-helixtrans-62.5-52.6173.8-177.6-96.5000111.3D338 V339 R340 L344 S345 E346D338-F342 PolarHBondContact O-N 3.36Å; V339-F342 WeakPolarHBondContact O-CB 3.37Å; V339-F342 PolarHBondContact O-N 2.64Å; R340-F342 VanDerWaalsContact C-N 3.31Å; F342-L344 VanDerWaalsContact C-N 3.32Å; F342-L344 PolarHBondContact O-N 3.34Å; F342-S345 WeakPolarHBondContact O-CA 3.33Å; F342-S345 WeakPolarHBondContact O-CB 3.34Å; F342-S345 PolarHBondContact O-N 2.97Å; F342-E346 HydrophobicContact CD1-CG 4.31Å; F342-E346 HydrophobicContact CE1-CG 3.86Å; F342-E346 WeakPolarHBondContact CE1-OE1 3.31Å; F342-E346 HydrophobicContact CZ-CG 4.03Å; F342-E346 WeakPolarHBondContact CZ-OE1 3.41Å; F342-E346 PolarHBondContact O-N 2.99Å
343E98Very high97.2Very high73 Ų7399.7 Ų99.734%0.34151%0.51SS..Hα-helixtrans-55.9-44.2176.9-69.8172.1170.900112.2V339 R340 S345 E346 L347V339-E343 WeakPolarHBondContact O-CG 3.42Å; V339-E343 PolarHBondContact O-N 2.95Å; R340-E343 WeakPolarHBondContact CD-OE2 3.48Å; R340-E343 IonicContact CZ-OE2 3.66Å; R340-E343 IonicContact NE-OE2 3.84Å; R340-E343 IonicContact NH1-OE1 3.42Å; R340-E343 PolarHBondContact NH1-OE1 3.31Å; R340-E343 IonicContact NH1-OE2 2.71Å; R340-E343 PolarHBondContact NH1-OE2 3.47Å; R340-E343 PolarHBondContact O-N 2.88Å; E343-S345 VanDerWaalsContact C-N 3.3Å; E343-S345 PolarHBondContact O-N 3.36Å; E343-E346 PolarHBondContact O-N 3.33Å; E343-L347 WeakPolarHBondContact O-CG 3.39Å; E343-L347 PolarHBondContact O-N 3.46Å
344L98.1Very high97Very high110 Ų110103.1 Ų103.158%0.57652%0.52SS*.Hα-helixtrans-63.8-35.7176.2-76.3173.3000112.6R340 F342 R348R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 VanDerWaalsContact O-CG 3.31Å; R340-L344 WeakPolarHBondContact O-CG 3.42Å; R340-L344 PolarHBondContact O-N 2.97Å; F342-L344 VanDerWaalsContact C-N 3.32Å; F342-L344 PolarHBondContact O-N 3.34Å; L344-R348 WeakPolarHBondContact O-CB 3.48Å; L344-R348 PolarHBondContact O-N 2.83Å
345S96.8Very high96.7Very high53 Ų53104.6 Ų104.637%0.37153%0.532SS..Hα-helixtrans-68.1-42.8177.2-60.70000111.2L341 F342 E343 R348 E349L341-S345 WeakPolarHBondContact O-CB 3.43Å; L341-S345 PolarHBondContact O-N 3.3Å; L341-S345 PolarHBondContact O-OG 3.43Å; F342-S345 WeakPolarHBondContact O-CA 3.33Å; F342-S345 WeakPolarHBondContact O-CB 3.34Å; F342-S345 PolarHBondContact O-N 2.97Å; E343-S345 VanDerWaalsContact C-N 3.3Å; E343-S345 PolarHBondContact O-N 3.36Å; S345-R348 PolarHBondContact O-N 2.76Å; S345-E349 PolarHBondContact O-N 3.01Å
346E97.4Very high96.3Very high109 Ų109106.2 Ų106.251%0.50954%0.54SS..Hα-helixtrans-61.4-44.6174.1-69.5-171.1135.100111.7F342 E343 R348 E349 G350F342-E346 HydrophobicContact CD1-CG 4.31Å; F342-E346 HydrophobicContact CE1-CG 3.86Å; F342-E346 WeakPolarHBondContact CE1-OE1 3.31Å; F342-E346 HydrophobicContact CZ-CG 4.03Å; F342-E346 WeakPolarHBondContact CZ-OE1 3.41Å; F342-E346 PolarHBondContact O-N 2.99Å; E343-E346 PolarHBondContact O-N 3.33Å; E346-R348 VanDerWaalsContact C-N 3.35Å; E346-R348 PolarHBondContact O-N 2.97Å; E346-E349 PolarHBondContact O-N 2.95Å; E346-G350 PolarHBondContact O-N 3.32Å
347L97.4Very high95.5Very high115 Ų115105 Ų10560%0.60255%0.545SS*.Hα-helixtrans-61-43.7175.6-72.6173.3000111.7E343 E349 G350 L351E343-L347 WeakPolarHBondContact O-CG 3.39Å; E343-L347 PolarHBondContact O-N 3.46Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 3.2Å; L347-G350 PolarHBondContact O-N 3.12Å; L347-L351 WeakPolarHBondContact O-CG 3.16Å; L347-L351 PolarHBondContact O-N 3.02Å
348R97Very high93.9Very high184 Ų184103 Ų10369%0.69454%0.544SS*.Hα-helixtrans-61.6-42.5177.5-169.9-176.775.4-1551.1111.5L344 S345 E346 L351 A352L344-R348 WeakPolarHBondContact O-CB 3.48Å; L344-R348 PolarHBondContact O-N 2.83Å; S345-R348 PolarHBondContact O-N 2.76Å; E346-R348 VanDerWaalsContact C-N 3.35Å; E346-R348 PolarHBondContact O-N 2.97Å; R348-L351 PolarHBondContact O-N 3.19Å; R348-A352 WeakPolarHBondContact O-CB 3.46Å; R348-A352 PolarHBondContact O-N 3.29Å
349E96.3Very high92Very high101 Ų101107.6 Ų107.647%0.47258%0.579SS.*Hα-helixtrans-66.6-42.8177.2-167.8-177.3160.300111.7S345 E346 L347 L351 A352 R353S345-E349 PolarHBondContact O-N 3.01Å; E346-E349 PolarHBondContact O-N 2.95Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 3.2Å; E349-L351 VanDerWaalsContact C-N 3.35Å; E349-L351 PolarHBondContact O-N 3.41Å; E349-A352 PolarHBondContact O-N 3.13Å; E349-R353 WeakPolarHBondContact O-CG 3.39Å; E349-R353 PolarHBondContact O-N 3.24Å; E349-R353 IonicContact OE1-CZ 3.3Å; E349-R353 VanDerWaalsContact OE1-CZ 3.3Å; E349-R353 IonicContact OE1-NE 3.36Å; E349-R353 PolarHBondContact OE1-NE 3.42Å; E349-R353 IonicContact OE1-NH2 2.64Å; E349-R353 PolarHBondContact OE1-NH2 2.71Å
350G95.9Very high91.7Very high34 Ų34109.1 Ų109.135%0.35159%0.585SS.*Hα-helixtrans-58.9-44.2174.800000112.6E346 L347 R353 L354E346-G350 PolarHBondContact O-N 3.32Å; L347-G350 PolarHBondContact O-N 3.12Å; G350-R353 PolarHBondContact O-N 3Å; G350-L354 WeakPolarHBondContact O-CG 3.39Å; G350-L354 PolarHBondContact O-N 3.49Å; G350-L354 VanDerWaalsContact O-N 3.13Å
351L95.3Very high91.3Very high119 Ų119107.8 Ų107.862%0.62359%0.589SS**Hα-helixtrans-64.5-40.9175.3-72.4173.2000112.5L347 R348 E349 R353 L354 A355L347-L351 WeakPolarHBondContact O-CG 3.16Å; L347-L351 PolarHBondContact O-N 3.02Å; R348-L351 PolarHBondContact O-N 3.19Å; E349-L351 VanDerWaalsContact C-N 3.35Å; E349-L351 PolarHBondContact O-N 3.41Å; L351-R353 PolarHBondContact O-N 3.45Å; L351-L354 PolarHBondContact O-N 2.94Å; L351-A355 PolarHBondContact O-N 3.47Å
352A94.2Very high91Very high49 Ų49108.2 Ų108.241%0.40559%0.593SS.*Hα-helixtrans-61-44.4176.600000111.6R348 E349 L354 A355 E356R348-A352 WeakPolarHBondContact O-CB 3.46Å; R348-A352 PolarHBondContact O-N 3.29Å; E349-A352 PolarHBondContact O-N 3.13Å; A352-L354 VanDerWaalsContact C-N 3.33Å; A352-L354 PolarHBondContact O-N 3.43Å; A352-A355 PolarHBondContact O-N 2.99Å; A352-E356 PolarHBondContact O-N 3.5Å
353R94.4Very high90.6Very high159 Ų159107.1 Ų107.160%0.660%0.595SS**Hα-helixtrans-61.2-39.4176-69.5174.8-176.2-164.9-0.4112.6E349 G350 L351 E356 A357E349-R353 WeakPolarHBondContact O-CG 3.39Å; E349-R353 PolarHBondContact O-N 3.24Å; E349-R353 IonicContact OE1-CZ 3.3Å; E349-R353 VanDerWaalsContact OE1-CZ 3.3Å; E349-R353 IonicContact OE1-NE 3.36Å; E349-R353 PolarHBondContact OE1-NE 3.42Å; E349-R353 IonicContact OE1-NH2 2.64Å; E349-R353 PolarHBondContact OE1-NH2 2.71Å; G350-R353 PolarHBondContact O-N 3Å; L351-R353 PolarHBondContact O-N 3.45Å; R353-E356 PolarHBondContact O-N 3.48Å; R353-A357 WeakPolarHBondContact O-CB 3.36Å; R353-A357 PolarHBondContact O-N 3.49Å; R353-A357 VanDerWaalsContact O-N 3.12Å
354L94.5Very high90.1Very high126 Ų126109.2 Ų109.266%0.6661%0.611SS**Hα-helixtrans-67.1-37.4175.9-72.9172.1000112.2G350 L351 A352 A357 A358G350-L354 WeakPolarHBondContact O-CG 3.39Å; G350-L354 PolarHBondContact O-N 3.49Å; G350-L354 VanDerWaalsContact O-N 3.13Å; L351-L354 PolarHBondContact O-N 2.94Å; A352-L354 VanDerWaalsContact C-N 3.33Å; A352-L354 PolarHBondContact O-N 3.43Å; L354-A357 PolarHBondContact O-N 3.42Å; L354-A358 PolarHBondContact O-N 3Å
355A91.1Very high89.6Confident75 Ų75109.1 Ų109.162%0.6261%0.613SS**Hα-helixtrans-66.8-38176.200000112.3L351 A352 A357 A358L351-A355 PolarHBondContact O-N 3.47Å; A352-A355 PolarHBondContact O-N 2.99Å; A355-A357 VanDerWaalsContact C-N 3.31Å; A355-A358 PolarHBondContact O-N 2.95Å
356E89.2Confident89Confident167 Ų167113.1 Ų113.178%0.7863%0.63SS**Hα-helixtrans-70-25.8174.1-71.2178.6179.900113.2A352 R353 A358A352-E356 PolarHBondContact O-N 3.5Å; R353-E356 PolarHBondContact O-N 3.48Å; E356-A358 VanDerWaalsContact C-N 3.34Å
357A80.6Confident88.4Confident77 Ų77113.5 Ų113.564%0.63664%0.639SS**THydrogen-bonded Turntrans-85.4-2.3179.200000114.1R353 L354 A355R353-A357 WeakPolarHBondContact O-CB 3.36Å; R353-A357 PolarHBondContact O-N 3.49Å; R353-A357 VanDerWaalsContact O-N 3.12Å; L354-A357 PolarHBondContact O-N 3.42Å; A355-A357 VanDerWaalsContact C-N 3.31Å
358A66.2Low87.7Confident69 Ų69113.3 Ų113.357%0.5764%0.643SS**  trans-76.4123.4174.400000109.9L354 A355 E356L354-A358 PolarHBondContact O-N 3Å; A355-A358 PolarHBondContact O-N 2.95Å; E356-A358 VanDerWaalsContact C-N 3.34Å
359P57.2Low86.8Confident200 Ų200106.9 Ų106.9100%1.29964%0.638SS**  trans-72.70-173.229.4-35.7000115

Retrieved 359 of 359 residues in 140.4 ms (Link to these results)