A0A5K4FF57_SCHMA Loading...

3-ketodihydrosphingosine reductase

AlphaFold DB (A0A5K4FBC5), UniProt , Accession A0A5K4FF57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.8Very low53.1Low243 Ų243140.8 Ų140.8100%1.19770%0.695SS**  022.60-135.8176.1-166.700113.1
2L52.2Low56.3Low172 Ų172138.3 Ų138.390%0.90167%0.672SS**  trans-110.62.9175.3-73.2170.4000113Q4L2-Q4 VanDerWaalsContact C-N 3.33Å; L2-Q4 PolarHBondContact O-N 3.42Å
3D51.4Low59.2Low147 Ų147134.3 Ų134.379%0.78665%0.645SS**THydrogen-bonded Turntrans-84.2-5.9-170.3-137.614.8000113.9
4Q48.7Very low61.9Low193 Ų193129.5 Ų129.590%0.90262%0.624SS**THydrogen-bonded Turntrans-105.75.8-169.9-94.6-172.8-30.400116L2L2-Q4 VanDerWaalsContact C-N 3.33Å; L2-Q4 PolarHBondContact O-N 3.42Å
5K47.8Very low64.2Low179 Ų179123.7 Ų123.778%0.77861%0.605SS**  trans-125.144.7170.3-68.9-168.7179.9-175.60111.9H7K5-H7 PolarHBondContact O-N 2.69Å
6V49.5Very low66.3Low95 Ų95118 Ų11858%0.57658%0.576SS**  trans-67.382.8159-175.10000106.2Q8V6-Q8 PolarHBondContact O-N 3.29Å
7H47.8Very low68.1Low106 Ų106116 Ų11649%0.49157%0.568SS.*  trans-41.8128.2162.6-82.5-88.8000106.9K5 T9 E11K5-H7 PolarHBondContact O-N 2.69Å; H7-T9 PolarHBondContact O-N 3.22Å; H7-E11 IonicContact CE1-OE2 3.82Å; H7-E11 IonicContact CG-OE2 3.69Å; H7-E11 IonicContact ND1-OE2 2.78Å; H7-E11 PolarHBondContact ND1-OE2 3.37Å
8Q53.7Low69.5Low146 Ų146109.6 Ų109.668%0.68254%0.537SS*.  trans-47134.9178.1-75179.7-18.100107.9V6 E10 E11V6-Q8 PolarHBondContact O-N 3.29Å; Q8-E10 PolarHBondContact O-N 2.92Å; Q8-E11 PolarHBondContact O-N 2.88Å
9T55.1Low70.8Confident54 Ų54104.5 Ų104.533%0.33151%0.513SS..G310 helixtrans-51.9-26.6-173.744.20000112.7H7 E11 R12 K53H7-T9 PolarHBondContact O-N 3.22Å; T9-E11 PolarHBondContact O-N 2.76Å; T9-E11 VanDerWaalsContact O-N 3.15Å; T9-R12 PolarHBondContact O-N 2.9Å; T9-K53 WeakPolarHBondContact CG2-O 2.89Å
10E61.3Low71.9Confident98 Ų98100.1 Ų100.146%0.45849%0.491SS..G310 helixtrans-53.2-23.6171.8-63.2-85.3146.900115Q8 R13Q8-E10 PolarHBondContact O-N 2.92Å; E10-R13 PolarHBondContact O-NH2 3.14Å; E10-R13 VanDerWaalsContact O-NH2 3.14Å
11E74.6Confident72.8Confident116 Ų11695.7 Ų95.754%0.54247%0.472SS..G310 helixtrans-95.6-16.9-174.5-65.1-172162.300114.1H7 Q8 T9H7-E11 IonicContact CE1-OE2 3.82Å; H7-E11 IonicContact CG-OE2 3.69Å; H7-E11 IonicContact ND1-OE2 2.78Å; H7-E11 PolarHBondContact ND1-OE2 3.37Å; Q8-E11 PolarHBondContact O-N 2.88Å; T9-E11 PolarHBondContact O-N 2.76Å; T9-E11 VanDerWaalsContact O-N 3.15Å
12R91.5Very high74.9Confident110 Ų11084.1 Ų84.142%0.41542%0.415SS..  trans-87.7129.3-171.4-56178.8-177179.5-3.7110.4T9 P55 F56T9-R12 PolarHBondContact O-N 2.9Å; R12-P55 HydrophobicContact CB-CB 3.63Å; R12-P55 CarbonylContact O-C 3.49Å; R12-P55 WeakPolarHBondContact O-CA 3.31Å; R12-P55 VanDerWaalsContact O-CB 3.27Å; R12-P55 WeakPolarHBondContact O-CB 3.35Å; R12-F56 PolarHBondContact O-N 2.91Å
13R94.4Very high76.8Confident87 Ų8776.5 Ų76.533%0.32837%0.374SS..EExtended strand (participates in β ladder)trans-140.8138.6-173.5-54.6-179.7-174.2-88.4-7.2110.6E10 F56 I104 T105E10-R13 PolarHBondContact O-NH2 3.14Å; E10-R13 VanDerWaalsContact O-NH2 3.14Å; R13-F56 CarbonylContact C-O 3.53Å; R13-F56 WeakPolarHBondContact CA-O 3.37Å; R13-F56 HydrophobicContact CG-CB 4.35Å; R13-I104 HydrophobicContact CB-CG2 4.07Å; R13-I104 WeakPolarHBondContact CD-O 3.4Å; R13-I104 HydrophobicContact CG-CG2 4.43Å; R13-I104 PolarHBondContact NH1-O 3.15Å; R13-T105 VanDerWaalsContact NH1-C 3.35Å; R13-T105 PolarHBondContact NH1-O 3.25Å; R13-T105 PolarHBondContact NH2-O 3.37Å; R13-T105 VanDerWaalsContact NH2-O 3.15Å
14I96.4Very high78.7Confident67 Ų6771.3 Ų71.334%0.34435%0.348SS..EExtended strand (participates in β ladder)trans-125.7125.1174.4-57.6175.8000106.7F16 P55 F56 V57 T58I14-F16 HydrophobicContact CG2-CD2 4.27Å; I14-F16 HydrophobicContact CG2-CE2 3.58Å; I14-F16 HydrophobicContact CG2-CZ 3.77Å; I14-P55 HydrophobicContact CD1-CB 4.34Å; I14-P55 HydrophobicContact CD1-CG 3.65Å; I14-P55 HydrophobicContact CG1-CB 4.2Å; I14-P55 HydrophobicContact CG1-CG 4.06Å; I14-F56 PolarHBondContact N-O 2.99Å; I14-V57 CarbonylContact O-C 3.56Å; I14-V57 VanDerWaalsContact O-CA 3.31Å; I14-V57 WeakPolarHBondContact O-CA 3.41Å; I14-T58 PolarHBondContact O-N 3.31Å
15A97.1Very high80.8Confident42 Ų4264.3 Ų64.335%0.34733%0.327SS..EExtended strand (participates in β ladder)trans-115.9129.3177.600000110.6T58 I104A15-T58 CarbonylContact C-O 3.51Å; A15-T58 VanDerWaalsContact CA-O 3.29Å; A15-T58 WeakPolarHBondContact CA-O 3.17Å; A15-I104 HydrophobicContact CB-CD1 3.48Å; A15-I104 VanDerWaalsContact CB-CD1 3.48Å; A15-I104 HydrophobicContact CB-CG1 3.89Å
16F97.6Very high83Confident33 Ų3356.8 Ų56.815%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-102.7118.9172.2-64.5-86.1000108.9I14 C18 L39 F42 A43 L46 V57 T58 A60I14-F16 HydrophobicContact CG2-CD2 4.27Å; I14-F16 HydrophobicContact CG2-CE2 3.58Å; I14-F16 HydrophobicContact CG2-CZ 3.77Å; F16-C18 PolarHBondContact O-N 3.15Å; F16-L39 HydrophobicContact CD1-CD2 4.34Å; F16-F42 HydrophobicContact CD1-CD1 4.43Å; F16-F42 AromaticContact CE1-CD1 3.66Å; F16-F42 HydrophobicContact CE1-CD1 3.66Å; F16-F42 AromaticContact CE1-CE1 3.57Å; F16-F42 HydrophobicContact CE1-CE1 3.57Å; F16-F42 AromaticContact CZ-CD1 3.79Å; F16-F42 HydrophobicContact CZ-CD1 3.79Å; F16-F42 AromaticContact CZ-CE1 3.51Å; F16-F42 HydrophobicContact CZ-CE1 3.51Å; F16-A43 HydrophobicContact CB-CB 4.3Å; F16-A43 HydrophobicContact CD2-CB 3.36Å; F16-A43 HydrophobicContact CE2-CB 3.76Å; F16-A43 HydrophobicContact CG-CB 3.84Å; F16-L46 HydrophobicContact CE2-CD2 4.09Å; F16-L46 HydrophobicContact CZ-CD2 3.86Å; F16-V57 HydrophobicContact CD2-CG1 3.83Å; F16-V57 HydrophobicContact CE2-CG1 3.79Å; F16-T58 PolarHBondContact N-O 3.48Å; F16-A60 PolarHBondContact O-N 3.3Å
17I96.2Very high85.1Confident84 Ų8456.1 Ų56.143%0.43128%0.284SS..EExtended strand (participates in β ladder)trans-89.7102.1178.4-50.9-54.7000109.2K36 A60 P62 V100I17-K36 PolarHBondContact O-NZ 3.35Å; I17-A60 HydrophobicContact CD1-CB 3.86Å; I17-P62 HydrophobicContact CG2-CG 4.05Å; I17-V100 HydrophobicContact CD1-CG1 4.22Å
18C94.7Very high87.3Confident1 Ų153.3 Ų53.31%0.00728%0.284CS..  trans-91.2-140.1175.2-65.10000110.4F16 S22 I59 A60 F61F16-C18 PolarHBondContact O-N 3.15Å; C18-S22 WeakPolarHBondContact CB-OG 3.16Å; C18-I59 HydrophobicContact CB-CG2 4.3Å; C18-I59 VanDerWaalsContact SG-CG2 3.54Å; C18-A60 CarbonylContact C-O 3.55Å; C18-A60 VanDerWaalsContact CA-O 3.28Å; C18-A60 WeakPolarHBondContact CA-O 3.04Å; C18-A60 VanDerWaalsContact CB-O 3.28Å; C18-A60 WeakPolarHBondContact CB-O 3.25Å; C18-A60 PolarHBondContact N-O 3.1Å; C18-F61 HydrophobicContact CB-CD1 3.84Å; C18-F61 HydrophobicContact CB-CE1 3.92Å
19S93.8Very high89.2Confident12 Ų1247.8 Ų47.88%0.08426%0.257CS..  trans-163.6155.7177.7170.10000109.1A21 S22 Y32 F61S19-A21 PolarHBondContact O-N 3.22Å; S19-A21 PolarHBondContact OG-N 2.99Å; S19-A21 VanDerWaalsContact OG-N 3.1Å; S19-S22 WeakPolarHBondContact O-CA 3.49Å; S19-S22 VanDerWaalsContact O-CB 3.32Å; S19-S22 WeakPolarHBondContact O-CB 3.23Å; S19-S22 PolarHBondContact O-N 2.9Å; S19-S22 PolarHBondContact O-OG 3.22Å; S19-Y32 WeakPolarHBondContact CB-OH 3.06Å; S19-F61 WeakPolarHBondContact O-CD1 3.42Å
20L92.5Very high91.1Very high16 Ų1649.3 Ų49.38%0.08428%0.275CS..G310 helixtrans-54.4-32.8166.9-64.9-175.8000112.5S22 Q23 V24 F61 P62 P63 L120L20-S22 PolarHBondContact O-N 3.16Å; L20-Q23 PolarHBondContact O-N 3.17Å; L20-V24 PolarHBondContact O-N 2.98Å; L20-F61 HydrophobicContact CD2-CB 4.03Å; L20-F61 WeakPolarHBondContact CD2-O 3.37Å; L20-P62 PolarHBondContact N-O 3.47Å; L20-P63 HydrophobicContact CD1-CB 3.67Å; L20-P63 HydrophobicContact CG-CB 4.4Å; L20-L120 HydrophobicContact CB-CD2 3.96Å; L20-L120 HydrophobicContact CD2-CD2 4.08Å
21A90.5Very high92.7Very high9 Ų948.7 Ų48.77%0.07429%0.287CS..G310 helixtrans-68.51.5173.800000113.9S19 V24 V26 Y29 Y32 T33S19-A21 PolarHBondContact O-N 3.22Å; S19-A21 PolarHBondContact OG-N 2.99Å; S19-A21 VanDerWaalsContact OG-N 3.1Å; A21-V24 CarbonylContact C-O 3.55Å; A21-V24 VanDerWaalsContact O-O 3.13Å; A21-V26 HydrophobicContact CB-CG2 4.25Å; A21-Y29 HydrophobicContact CB-CD2 4.23Å; A21-Y32 HydrophobicContact CB-CD1 4.47Å; A21-Y32 HydrophobicContact CB-CE1 4.19Å; A21-T33 WeakPolarHBondContact O-CB 3.33Å; A21-T33 VanDerWaalsContact O-CG2 3.25Å; A21-T33 WeakPolarHBondContact O-CG2 3.43Å; A21-T33 PolarHBondContact O-OG1 3.04Å
22S86.5Confident93.6Very high0 Ų047.5 Ų47.50%028%0.278CS..G310 helixtrans-101.76.8169.7880000113.9C18 S19 L20 Y37 F61C18-S22 WeakPolarHBondContact CB-OG 3.16Å; S19-S22 WeakPolarHBondContact O-CA 3.49Å; S19-S22 VanDerWaalsContact O-CB 3.32Å; S19-S22 WeakPolarHBondContact O-CB 3.23Å; S19-S22 PolarHBondContact O-N 2.9Å; S19-S22 PolarHBondContact O-OG 3.22Å; L20-S22 PolarHBondContact O-N 3.16Å; S22-Y37 VanDerWaalsContact C-CD2 3.48Å; S22-Y37 VanDerWaalsContact O-CD2 3.29Å; S22-Y37 WeakPolarHBondContact O-CD2 3.26Å; S22-Y37 WeakPolarHBondContact O-CE2 3.4Å; S22-Y37 VanDerWaalsContact O-CZ 3.29Å; S22-F61 WeakPolarHBondContact OG-CD1 3.4Å; S22-F61 VanDerWaalsContact OG-CE1 3.29Å; S22-F61 WeakPolarHBondContact OG-CE1 3.45Å
23Q91.5Very high93.8Very high12 Ų1242.9 Ų42.96%0.05626%0.262CS..THydrogen-bonded Turntrans-113.6-28.4173.7-61-169.589.600111.3L20 Y37 F61 L120 S121 T124L20-Q23 PolarHBondContact O-N 3.17Å; Q23-Y37 PolarHBondContact O-OH 3.32Å; Q23-F61 HydrophobicContact CG-CD1 3.56Å; Q23-F61 HydrophobicContact CG-CE1 3.72Å; Q23-F61 HydrophobicContact CG-CG 4.22Å; Q23-F61 HydrophobicContact CG-CZ 4.5Å; Q23-L120 HydrophobicContact CB-CD2 3.84Å; Q23-L120 HydrophobicContact CB-CG 3.85Å; Q23-S121 PolarHBondContact NE2-OG 3.18Å; Q23-S121 PolarHBondContact OE1-OG 3.42Å; Q23-T124 HydrophobicContact CB-CG2 4.24Å; Q23-T124 VanDerWaalsContact O-CG2 3.27Å; Q23-T124 WeakPolarHBondContact O-CG2 3.46Å; Q23-T124 PolarHBondContact OE1-OG1 3.4Å
24V92.3Very high93.8Very high37 Ų3740.7 Ų40.722%0.22427%0.266CS..SBendtrans-134.3136.2170.764.30000110.2L20 A21 V26 Y37 L120 M169L20-V24 PolarHBondContact O-N 2.98Å; A21-V24 CarbonylContact C-O 3.55Å; A21-V24 VanDerWaalsContact O-O 3.13Å; V24-V26 HydrophobicContact CG1-CG2 4.49Å; V24-Y37 WeakPolarHBondContact CA-OH 3.44Å; V24-Y37 PolarHBondContact N-OH 2.99Å; V24-Y37 VanDerWaalsContact N-OH 3.17Å; V24-L120 HydrophobicContact CB-CD1 4.24Å; V24-L120 HydrophobicContact CG1-CD1 4.13Å; V24-L120 HydrophobicContact CG1-CD2 4.1Å; V24-M169 HydrophobicContact CG2-CE 3.75Å
25G92.7Very high93.9Very high46 Ų4640.6 Ų40.647%0.47427%0.272SS..  trans-70.8130.8176.200000111.7
26V92.8Very high93.8Very high21 Ų2140.6 Ų40.613%0.12726%0.264CS..  trans-118.1137.7-179.6-179.40000109.7A21 V24 Y29 T81 I84A21-V26 HydrophobicContact CB-CG2 4.25Å; V24-V26 HydrophobicContact CG1-CG2 4.49Å; V26-Y29 HydrophobicContact CB-CD2 3.87Å; V26-Y29 HydrophobicContact CG1-CD2 3.93Å; V26-Y29 HydrophobicContact CG1-CE2 4.28Å; V26-Y29 PolarHBondContact O-N 2.99Å; V26-T81 HydrophobicContact CG1-CG2 4.41Å; V26-I84 HydrophobicContact CG1-CB 4.42Å; V26-I84 HydrophobicContact CG1-CG2 3.92Å
27Y94Very high93.7Very high81 Ų8143.2 Ų43.232%0.31827%0.274SS..THydrogen-bonded Turntrans-55.5140.1176.7173.9-85.2000111.1Y29 P78 A80 T81 S173 N177Y27-Y29 PolarHBondContact O-N 2.85Å; Y27-P78 HydrophobicContact CE1-CB 3.81Å; Y27-P78 HydrophobicContact CE1-CG 4.26Å; Y27-A80 HydrophobicContact CD1-CB 3.57Å; Y27-A80 HydrophobicContact CE1-CB 3.7Å; Y27-A80 HydrophobicContact CG-CB 4.33Å; Y27-T81 WeakPolarHBondContact CD1-OG1 3.29Å; Y27-T81 WeakPolarHBondContact O-CB 3.26Å; Y27-T81 WeakPolarHBondContact O-CG2 3.38Å; Y27-T81 PolarHBondContact O-OG1 3.2Å; Y27-S173 WeakPolarHBondContact CD2-OG 3.15Å; Y27-N177 WeakPolarHBondContact CE2-ND2 3.34Å; Y27-N177 VanDerWaalsContact CZ-ND2 3.28Å; Y27-N177 PolarHBondContact OH-ND2 3.42Å; Y27-N177 PolarHBondContact OH-OD1 2.92Å
28G93.5Very high93.7Very high48 Ų4842.3 Ų42.350%0.49528%0.279SS..THydrogen-bonded Turntrans81.3-8.1-178.600000115
29Y93.5Very high93.7Very high29 Ų2945 Ų4511%0.11429%0.293CS..  trans-109.719.7180-68.7-31.4000114.5A21 V26 Y27 A31 Y32 T33 E73 K77 T81A21-Y29 HydrophobicContact CB-CD2 4.23Å; V26-Y29 HydrophobicContact CB-CD2 3.87Å; V26-Y29 HydrophobicContact CG1-CD2 3.93Å; V26-Y29 HydrophobicContact CG1-CE2 4.28Å; V26-Y29 PolarHBondContact O-N 2.99Å; Y27-Y29 PolarHBondContact O-N 2.85Å; Y29-A31 PolarHBondContact O-N 3.23Å; Y29-A31 VanDerWaalsContact O-N 3.16Å; Y29-Y32 HydrophobicContact CG-CD1 4.34Å; Y29-Y32 CarbonylContact O-C 3.43Å; Y29-Y32 PolarHBondContact O-N 3Å; Y29-T33 WeakPolarHBondContact O-CB 3.16Å; Y29-T33 PolarHBondContact O-N 3.24Å; Y29-T33 PolarHBondContact O-OG1 3.42Å; Y29-E73 PolarHBondContact OH-OE1 2.81Å; Y29-K77 WeakPolarHBondContact OH-CE 3.45Å; Y29-K77 PolarHBondContact OH-NZ 3.43Å; Y29-T81 HydrophobicContact CD1-CG2 4.48Å; Y29-T81 HydrophobicContact CD2-CG2 4.29Å; Y29-T81 HydrophobicContact CE1-CG2 4.04Å; Y29-T81 HydrophobicContact CE2-CG2 3.78Å
30A95.2Very high93.6Very high87 Ų8746.3 Ų46.372%0.71930%0.296SS*.Hα-helixtrans-48.1-51.4-173.900000114.2G34A30-G34 PolarHBondContact O-N 3.42Å
31A95.4Very high93.7Very high85 Ų8547.2 Ų47.270%0.70231%0.309SS*.Hα-helixtrans-69.1-43.4177.500000112.7Y29 G34 S35Y29-A31 PolarHBondContact O-N 3.23Å; Y29-A31 VanDerWaalsContact O-N 3.16Å; A31-G34 PolarHBondContact O-N 2.9Å; A31-S35 PolarHBondContact O-N 2.99Å
32Y93.7Very high94Very high90 Ų9052.2 Ų52.235%0.35333%0.329SS..Hα-helixtrans-61.2-58.2178.7176.5-91.7000111.3S19 A21 Y29 G34 S35 K36S19-Y32 WeakPolarHBondContact CB-OH 3.06Å; A21-Y32 HydrophobicContact CB-CD1 4.47Å; A21-Y32 HydrophobicContact CB-CE1 4.19Å; Y29-Y32 HydrophobicContact CG-CD1 4.34Å; Y29-Y32 CarbonylContact O-C 3.43Å; Y29-Y32 PolarHBondContact O-N 3Å; Y32-G34 VanDerWaalsContact C-N 3.33Å; Y32-G34 PolarHBondContact O-N 3.45Å; Y32-S35 PolarHBondContact O-N 3.49Å; Y32-S35 PolarHBondContact O-OG 3.46Å; Y32-K36 HydrophobicContact CD1-CG 4.31Å; Y32-K36 HydrophobicContact CE1-CG 3.93Å; Y32-K36 HydrophobicContact CE2-CG 4.33Å; Y32-K36 WeakPolarHBondContact O-CG 3.44Å; Y32-K36 PolarHBondContact O-N 2.86Å
33T94.9Very high94.4Very high14 Ų1452.2 Ų52.29%0.08633%0.329CS..Hα-helixtrans-51.8-49.2174.5-73.30000110.9A21 Y29 S35 K36 Y37A21-T33 WeakPolarHBondContact O-CB 3.33Å; A21-T33 VanDerWaalsContact O-CG2 3.25Å; A21-T33 WeakPolarHBondContact O-CG2 3.43Å; A21-T33 PolarHBondContact O-OG1 3.04Å; Y29-T33 WeakPolarHBondContact O-CB 3.16Å; Y29-T33 PolarHBondContact O-N 3.24Å; Y29-T33 PolarHBondContact O-OG1 3.42Å; T33-S35 VanDerWaalsContact C-N 3.35Å; T33-S35 PolarHBondContact O-N 3.38Å; T33-K36 PolarHBondContact O-N 3.1Å; T33-K36 VanDerWaalsContact O-N 3.17Å; T33-Y37 HydrophobicContact CG2-CD2 3.5Å; T33-Y37 VanDerWaalsContact CG2-CD2 3.5Å; T33-Y37 HydrophobicContact CG2-CE2 3.47Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.47Å; T33-Y37 WeakPolarHBondContact O-CB 3.17Å; T33-Y37 VanDerWaalsContact O-CD2 3.31Å; T33-Y37 WeakPolarHBondContact O-CD2 3.4Å; T33-Y37 PolarHBondContact O-N 2.85Å
34G95.9Very high94.4Very high40 Ų4053.5 Ų53.541%0.41234%0.335SS..Hα-helixtrans-55.3-47.6178.500000112.8A30 A31 Y32 K36 Y37 A38A30-G34 PolarHBondContact O-N 3.42Å; A31-G34 PolarHBondContact O-N 2.9Å; Y32-G34 VanDerWaalsContact C-N 3.33Å; Y32-G34 PolarHBondContact O-N 3.45Å; G34-K36 PolarHBondContact O-N 2.65Å; G34-Y37 PolarHBondContact O-N 3.33Å; G34-A38 PolarHBondContact O-N 2.93Å; G34-A38 VanDerWaalsContact O-N 3.1Å
35S96.5Very high94.6Very high66 Ų6654.8 Ų54.846%0.46234%0.344SS..Hα-helixtrans-63.5-40.9177.673.10000112.9A31 Y32 T33 A38 L39A31-S35 PolarHBondContact O-N 2.99Å; Y32-S35 PolarHBondContact O-N 3.49Å; Y32-S35 PolarHBondContact O-OG 3.46Å; T33-S35 VanDerWaalsContact C-N 3.35Å; T33-S35 PolarHBondContact O-N 3.38Å; S35-A38 WeakPolarHBondContact O-CB 3.2Å; S35-A38 PolarHBondContact O-N 2.8Å; S35-L39 PolarHBondContact O-N 2.8Å
36K96.3Very high94.7Very high41 Ų4154.2 Ų54.218%0.17833%0.329CS..Hα-helixtrans-73.9-32.3-179.9-62.2-56.3-157.8168.90112.7I17 Y32 T33 G34 A38 L39 R40I17-K36 PolarHBondContact O-NZ 3.35Å; Y32-K36 HydrophobicContact CD1-CG 4.31Å; Y32-K36 HydrophobicContact CE1-CG 3.93Å; Y32-K36 HydrophobicContact CE2-CG 4.33Å; Y32-K36 WeakPolarHBondContact O-CG 3.44Å; Y32-K36 PolarHBondContact O-N 2.86Å; T33-K36 PolarHBondContact O-N 3.1Å; T33-K36 VanDerWaalsContact O-N 3.17Å; G34-K36 PolarHBondContact O-N 2.65Å; K36-A38 VanDerWaalsContact C-N 3.33Å; K36-L39 HydrophobicContact CD-CD1 4.07Å; K36-L39 PolarHBondContact O-N 3.42Å; K36-R40 PolarHBondContact O-N 2.87Å
37Y94.7Very high94.7Very high88 Ų8854.4 Ų54.435%0.34533%0.33SS..Hα-helixtrans-64.4-39170.6-94.8-104.4000111.3S22 Q23 V24 T33 G34 L39 R40 G41S22-Y37 VanDerWaalsContact C-CD2 3.48Å; S22-Y37 VanDerWaalsContact O-CD2 3.29Å; S22-Y37 WeakPolarHBondContact O-CD2 3.26Å; S22-Y37 WeakPolarHBondContact O-CE2 3.4Å; S22-Y37 VanDerWaalsContact O-CZ 3.29Å; Q23-Y37 PolarHBondContact O-OH 3.32Å; V24-Y37 WeakPolarHBondContact CA-OH 3.44Å; V24-Y37 PolarHBondContact N-OH 2.99Å; V24-Y37 VanDerWaalsContact N-OH 3.17Å; T33-Y37 HydrophobicContact CG2-CD2 3.5Å; T33-Y37 VanDerWaalsContact CG2-CD2 3.5Å; T33-Y37 HydrophobicContact CG2-CE2 3.47Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.47Å; T33-Y37 WeakPolarHBondContact O-CB 3.17Å; T33-Y37 VanDerWaalsContact O-CD2 3.31Å; T33-Y37 WeakPolarHBondContact O-CD2 3.4Å; T33-Y37 PolarHBondContact O-N 2.85Å; G34-Y37 PolarHBondContact O-N 3.33Å; Y37-L39 VanDerWaalsContact C-N 3.32Å; Y37-L39 PolarHBondContact O-N 3Å; Y37-R40 WeakPolarHBondContact O-CB 3.27Å; Y37-R40 PolarHBondContact O-N 2.69Å; Y37-R40 VanDerWaalsContact O-N 3.16Å; Y37-G41 PolarHBondContact O-N 3.12Å
38A96.2Very high94.7Very high65 Ų6557.3 Ų57.354%0.53735%0.348SS..Hα-helixtrans-62.3-39.4177.400000112G34 S35 K36 R40 G41 F42G34-A38 PolarHBondContact O-N 2.93Å; G34-A38 VanDerWaalsContact O-N 3.1Å; S35-A38 WeakPolarHBondContact O-CB 3.2Å; S35-A38 PolarHBondContact O-N 2.8Å; K36-A38 VanDerWaalsContact C-N 3.33Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.5Å; A38-G41 PolarHBondContact O-N 3.1Å; A38-F42 WeakPolarHBondContact O-CB 3.34Å; A38-F42 PolarHBondContact O-N 2.88Å
39L95.2Very high94.7Very high57 Ų5762 Ų6230%0.29836%0.357SS..Hα-helixtrans-60.4-37.8174.3-68.6-179.8000112.4F16 S35 K36 Y37 A43F16-L39 HydrophobicContact CD1-CD2 4.34Å; S35-L39 PolarHBondContact O-N 2.8Å; K36-L39 HydrophobicContact CD-CD1 4.07Å; K36-L39 PolarHBondContact O-N 3.42Å; Y37-L39 VanDerWaalsContact C-N 3.32Å; Y37-L39 PolarHBondContact O-N 3Å; L39-A43 WeakPolarHBondContact O-CB 3.16Å; L39-A43 PolarHBondContact O-N 2.98Å
40R92.9Very high94.6Very high40 Ų4063.3 Ų63.315%0.15137%0.366CS..Hα-helixtrans-59.9-56.1175.1-179.1179.3176.9-142.6-13.7110.5K36 Y37 A38 F42 A43 E44 F61 T124K36-R40 PolarHBondContact O-N 2.87Å; Y37-R40 WeakPolarHBondContact O-CB 3.27Å; Y37-R40 PolarHBondContact O-N 2.69Å; Y37-R40 VanDerWaalsContact O-N 3.16Å; A38-R40 VanDerWaalsContact C-N 3.28Å; A38-R40 PolarHBondContact O-N 3.5Å; R40-F42 VanDerWaalsContact C-N 3.28Å; R40-F42 PolarHBondContact O-N 2.78Å; R40-A43 PolarHBondContact O-N 3.08Å; R40-E44 HydrophobicContact CG-CG 4.37Å; R40-E44 VanDerWaalsContact CG-OE1 3.27Å; R40-E44 WeakPolarHBondContact CG-OE1 3.42Å; R40-E44 IonicContact CZ-OE1 2.67Å; R40-E44 IonicContact NE-OE1 2.77Å; R40-E44 PolarHBondContact NE-OE1 3.38Å; R40-E44 IonicContact NH2-OE1 3.9Å; R40-E44 PolarHBondContact NH2-OE1 3.49Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.25Å; R40-F61 HydrophobicContact CG-CZ 4.31Å; R40-T124 PolarHBondContact NH1-O 3.06Å
41G93.3Very high94.2Very high36 Ų3660.5 Ų60.537%0.37135%0.345SS..Hα-helixtrans-59.7-38.5-179.800000113.3Y37 A38 T45Y37-G41 PolarHBondContact O-N 3.12Å; A38-G41 PolarHBondContact O-N 3.1Å; G41-T45 WeakPolarHBondContact O-CB 3.37Å; G41-T45 PolarHBondContact O-N 2.86Å; G41-T45 PolarHBondContact O-OG1 2.97Å
42F96.6Very high93.6Very high113 Ų11362 Ų6250%0.49634%0.337SS..Hα-helixtrans-62.5-50.5174.7177.5-104.4000112.1F16 A38 R40 T45 L46F16-F42 HydrophobicContact CD1-CD1 4.43Å; F16-F42 AromaticContact CE1-CD1 3.66Å; F16-F42 HydrophobicContact CE1-CD1 3.66Å; F16-F42 AromaticContact CE1-CE1 3.57Å; F16-F42 HydrophobicContact CE1-CE1 3.57Å; F16-F42 AromaticContact CZ-CD1 3.79Å; F16-F42 HydrophobicContact CZ-CD1 3.79Å; F16-F42 AromaticContact CZ-CE1 3.51Å; F16-F42 HydrophobicContact CZ-CE1 3.51Å; A38-F42 WeakPolarHBondContact O-CB 3.34Å; A38-F42 PolarHBondContact O-N 2.88Å; R40-F42 VanDerWaalsContact C-N 3.28Å; R40-F42 PolarHBondContact O-N 2.78Å; F42-T45 PolarHBondContact O-N 2.92Å; F42-L46 HydrophobicContact CE1-CD2 3.96Å; F42-L46 HydrophobicContact CZ-CD2 4.18Å; F42-L46 VanDerWaalsContact O-CB 3.25Å; F42-L46 WeakPolarHBondContact O-CB 3.27Å; F42-L46 PolarHBondContact O-N 2.92Å
43A95.3Very high93.2Very high0 Ų064.9 Ų64.90%035%0.352CS..Hα-helixtrans-68.2-37.8-175.700000112.9F16 L39 R40 L46 D47 V57 I59F16-A43 HydrophobicContact CB-CB 4.3Å; F16-A43 HydrophobicContact CD2-CB 3.36Å; F16-A43 HydrophobicContact CE2-CB 3.76Å; F16-A43 HydrophobicContact CG-CB 3.84Å; L39-A43 WeakPolarHBondContact O-CB 3.16Å; L39-A43 PolarHBondContact O-N 2.98Å; R40-A43 PolarHBondContact O-N 3.08Å; A43-L46 PolarHBondContact O-N 3.36Å; A43-D47 PolarHBondContact O-N 3.3Å; A43-V57 HydrophobicContact CB-CG1 3.96Å; A43-I59 HydrophobicContact CB-CD1 3.64Å; A43-I59 HydrophobicContact CB-CG1 3.57Å
44E92.7Very high93Very high39 Ų3964.9 Ų64.918%0.18235%0.354CS..Hα-helixtrans-63.7-44.8175.1-66.7-177.5-175.500111.6R40 D47 M48 I59 F128R40-E44 HydrophobicContact CG-CG 4.37Å; R40-E44 VanDerWaalsContact CG-OE1 3.27Å; R40-E44 WeakPolarHBondContact CG-OE1 3.42Å; R40-E44 IonicContact CZ-OE1 2.67Å; R40-E44 IonicContact NE-OE1 2.77Å; R40-E44 PolarHBondContact NE-OE1 3.38Å; R40-E44 IonicContact NH2-OE1 3.9Å; R40-E44 PolarHBondContact NH2-OE1 3.49Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.25Å; E44-D47 PolarHBondContact O-N 3.47Å; E44-M48 PolarHBondContact O-N 2.78Å; E44-I59 HydrophobicContact CG-CD1 3.59Å; E44-F128 HydrophobicContact CB-CE2 4.35Å; E44-F128 HydrophobicContact CG-CD2 4.39Å; E44-F128 HydrophobicContact CG-CE2 3.49Å; E44-F128 VanDerWaalsContact CG-CE2 3.49Å; E44-F128 HydrophobicContact CG-CZ 4.13Å; E44-F128 WeakPolarHBondContact OE1-CE2 3.16Å
45T95.2Very high92.8Very high65 Ų6564 Ų6440%0.39934%0.342SS..Hα-helixtrans-63.7-45176.6-53.70000110.6G41 F42 D47 M48 E49G41-T45 WeakPolarHBondContact O-CB 3.37Å; G41-T45 PolarHBondContact O-N 2.86Å; G41-T45 PolarHBondContact O-OG1 2.97Å; F42-T45 PolarHBondContact O-N 2.92Å; T45-D47 PolarHBondContact O-N 2.63Å; T45-M48 PolarHBondContact O-N 3.29Å; T45-E49 HydrophobicContact CG2-CG 4.43Å; T45-E49 WeakPolarHBondContact O-CG 3.45Å; T45-E49 PolarHBondContact O-N 3.22Å
46L95.4Very high92.7Very high33 Ų3361 Ų6117%0.17332%0.32CS..Hα-helixtrans-62.5-40.1179.9-174.465.2000112.2F16 F42 A43 M48 E49 L50F16-L46 HydrophobicContact CE2-CD2 4.09Å; F16-L46 HydrophobicContact CZ-CD2 3.86Å; F42-L46 HydrophobicContact CE1-CD2 3.96Å; F42-L46 HydrophobicContact CZ-CD2 4.18Å; F42-L46 VanDerWaalsContact O-CB 3.25Å; F42-L46 WeakPolarHBondContact O-CB 3.27Å; F42-L46 PolarHBondContact O-N 2.92Å; A43-L46 PolarHBondContact O-N 3.36Å; L46-M48 VanDerWaalsContact C-N 3.31Å; L46-M48 PolarHBondContact O-N 3.1Å; L46-E49 PolarHBondContact O-N 3.3Å; L46-L50 HydrophobicContact CD1-CD1 4.08Å; L46-L50 HydrophobicContact CD1-CD2 4.47Å; L46-L50 HydrophobicContact CD1-CG 4.02Å; L46-L50 HydrophobicContact CD2-CD1 4.31Å; L46-L50 HydrophobicContact CG-CD1 3.71Å; L46-L50 HydrophobicContact CG-CG 4.11Å; L46-L50 VanDerWaalsContact O-CB 3.27Å; L46-L50 WeakPolarHBondContact O-CB 3.3Å; L46-L50 WeakPolarHBondContact O-CG 2.75Å; L46-L50 PolarHBondContact O-N 2.87Å
47D93Very high92.6Very high25 Ų2559.1 Ų59.113%0.13431%0.312CS..Hα-helixtrans-60.6-41.7176.8-170.960000111.9A43 E44 T45 G51 V57 L109 R136A43-D47 PolarHBondContact O-N 3.3Å; E44-D47 PolarHBondContact O-N 3.47Å; T45-D47 PolarHBondContact O-N 2.63Å; D47-G51 PolarHBondContact O-N 3.48Å; D47-V57 HydrophobicContact CB-CB 3.88Å; D47-V57 HydrophobicContact CB-CG1 4.46Å; D47-V57 HydrophobicContact CB-CG2 4.05Å; D47-L109 HydrophobicContact CB-CD1 3.89Å; D47-R136 IonicContact OD1-CZ 3.62Å; D47-R136 IonicContact OD1-NH1 2.99Å; D47-R136 PolarHBondContact OD1-NH1 2.83Å
48M92.5Very high92.7Very high143 Ų14355 Ų5570%0.70430%0.296SS*.Hα-helixtrans-65.7-43.3176-68.3-172.7-71.800112.3E44 T45 L46 G51E44-M48 PolarHBondContact O-N 2.78Å; T45-M48 PolarHBondContact O-N 3.29Å; L46-M48 VanDerWaalsContact C-N 3.31Å; L46-M48 PolarHBondContact O-N 3.1Å; M48-G51 PolarHBondContact O-N 2.97Å
49E95.1Very high92.7Very high147 Ų14751.9 Ų51.969%0.68727%0.27SS*.Hα-helixtrans-65.4-40.8178.9-73.2179.7178.900112.5T45 L46 G51T45-E49 HydrophobicContact CG2-CG 4.43Å; T45-E49 WeakPolarHBondContact O-CG 3.45Å; T45-E49 PolarHBondContact O-N 3.22Å; L46-E49 PolarHBondContact O-N 3.3Å; E49-G51 VanDerWaalsContact C-N 3.34Å
50L91.4Very high92.8Very high56 Ų5649.1 Ų49.129%0.29326%0.256SS..Hα-helixtrans-70-34.5178.2-71.9175.5000111.9L46 G54 P55 V57L46-L50 HydrophobicContact CD1-CD1 4.08Å; L46-L50 HydrophobicContact CD1-CD2 4.47Å; L46-L50 HydrophobicContact CD1-CG 4.02Å; L46-L50 HydrophobicContact CD2-CD1 4.31Å; L46-L50 HydrophobicContact CG-CD1 3.71Å; L46-L50 HydrophobicContact CG-CG 4.11Å; L46-L50 VanDerWaalsContact O-CB 3.27Å; L46-L50 WeakPolarHBondContact O-CB 3.3Å; L46-L50 WeakPolarHBondContact O-CG 2.75Å; L46-L50 PolarHBondContact O-N 2.87Å; L50-G54 PolarHBondContact O-N 2.9Å; L50-G54 VanDerWaalsContact O-N 3.1Å; L50-P55 HydrophobicContact CD1-CG 3.76Å; L50-V57 HydrophobicContact CD1-CG2 3.82Å
51G85.3Confident93Very high27 Ų2747.2 Ų47.228%0.27825%0.249SC..G310 helixtrans56.4-166.5176.300000113.7D47 M48 E49 K53 G54 R136D47-G51 PolarHBondContact O-N 3.48Å; M48-G51 PolarHBondContact O-N 2.97Å; E49-G51 VanDerWaalsContact C-N 3.34Å; G51-K53 PolarHBondContact O-N 2.79Å; G51-G54 PolarHBondContact O-N 3Å; G51-G54 VanDerWaalsContact O-N 3.12Å; G51-R136 PolarHBondContact O-NH2 3.17Å
52H84.4Confident93.1Very high117 Ų11746.6 Ų46.654%0.54224%0.238SC..G310 helixtrans-63.9-13.4-171.572.289.4000115.7Y137H52-Y137 HydrophobicContact CB-CE1 4.4Å
53K84.9Confident93Very high151 Ų15142.1 Ų42.166%0.65722%0.22SC*.G310 helixtrans-99.3-17.5178.6-58.1-174.3-177.21760113.4T9 G51T9-K53 WeakPolarHBondContact CG2-O 2.89Å; G51-K53 PolarHBondContact O-N 2.79Å
54G89.4Confident92.9Very high14 Ų1443.4 Ų43.414%0.14423%0.227CC..SBendtrans-79.3178.8177.700000113L50 G51 R136L50-G54 PolarHBondContact O-N 2.9Å; L50-G54 VanDerWaalsContact O-N 3.1Å; G51-G54 PolarHBondContact O-N 3Å; G51-G54 VanDerWaalsContact O-N 3.12Å; G54-R136 PolarHBondContact O-NH2 3.35Å
55P93.2Very high93Very high22 Ų2242.7 Ų42.714%0.14323%0.225CC..PPolyproline II helixtrans-63.3154172.727.4-32.3000111.4R12 I14 L50 V57 R136R12-P55 HydrophobicContact CB-CB 3.63Å; R12-P55 CarbonylContact O-C 3.49Å; R12-P55 WeakPolarHBondContact O-CA 3.31Å; R12-P55 VanDerWaalsContact O-CB 3.27Å; R12-P55 WeakPolarHBondContact O-CB 3.35Å; I14-P55 HydrophobicContact CD1-CB 4.34Å; I14-P55 HydrophobicContact CD1-CG 3.65Å; I14-P55 HydrophobicContact CG1-CB 4.2Å; I14-P55 HydrophobicContact CG1-CG 4.06Å; L50-P55 HydrophobicContact CD1-CG 3.76Å; P55-V57 PolarHBondContact O-N 3.41Å; P55-R136 PolarHBondContact O-NH1 3.45Å; P55-R136 PolarHBondContact O-NH2 3.1Å
56F93.2Very high93Very high2 Ų244 Ų441%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-65.6132.6166.9-69-81.9000110.2R12 R13 I14 R136 Y137R12-F56 PolarHBondContact O-N 2.91Å; R13-F56 CarbonylContact C-O 3.53Å; R13-F56 WeakPolarHBondContact CA-O 3.37Å; R13-F56 HydrophobicContact CG-CB 4.35Å; I14-F56 PolarHBondContact N-O 2.99Å; F56-R136 HydrophobicContact CE1-CB 4.34Å; F56-R136 HydrophobicContact CE1-CG 4.38Å; F56-Y137 HydrophobicContact CE1-CE2 4.11Å; F56-Y137 AromaticContact CZ-CE2 3.73Å; F56-Y137 HydrophobicContact CZ-CE2 3.73Å; F56-Y137 AromaticContact CZ-CZ 3.9Å; F56-Y137 VanDerWaalsContact CZ-OH 3.31Å; F56-Y137 WeakPolarHBondContact CZ-OH 3.39Å
57V95.2Very high93Very high1 Ų144.6 Ų44.61%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-100.7134.9169.9179.10000108.5I14 F16 A43 D47 L50 P55 L109I14-V57 CarbonylContact O-C 3.56Å; I14-V57 VanDerWaalsContact O-CA 3.31Å; I14-V57 WeakPolarHBondContact O-CA 3.41Å; F16-V57 HydrophobicContact CD2-CG1 3.83Å; F16-V57 HydrophobicContact CE2-CG1 3.79Å; A43-V57 HydrophobicContact CB-CG1 3.96Å; D47-V57 HydrophobicContact CB-CB 3.88Å; D47-V57 HydrophobicContact CB-CG1 4.46Å; D47-V57 HydrophobicContact CB-CG2 4.05Å; L50-V57 HydrophobicContact CD1-CG2 3.82Å; P55-V57 PolarHBondContact O-N 3.41Å; V57-L109 HydrophobicContact CB-CD1 4.15Å; V57-L109 HydrophobicContact CG1-CD1 4.15Å; V57-L109 WeakPolarHBondContact O-CA 3.47Å; V57-L109 WeakPolarHBondContact O-CD1 3.46Å
58T96.1Very high93Very high1 Ų148.8 Ų48.81%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-127.5132.9172.3-61.60000109.5I14 A15 F16 I104 K108 L109I14-T58 PolarHBondContact O-N 3.31Å; A15-T58 CarbonylContact C-O 3.51Å; A15-T58 VanDerWaalsContact CA-O 3.29Å; A15-T58 WeakPolarHBondContact CA-O 3.17Å; F16-T58 PolarHBondContact N-O 3.48Å; T58-I104 HydrophobicContact CG2-CG1 3.88Å; T58-K108 WeakPolarHBondContact CB-O 3.25Å; T58-K108 WeakPolarHBondContact CG2-O 3.43Å; T58-K108 PolarHBondContact OG1-O 2.95Å; T58-L109 CarbonylContact C-O 3.51Å; T58-L109 WeakPolarHBondContact CA-O 3.15Å
59I96.6Very high93Very high0 Ų044.2 Ų44.20%025%0.253CS..EExtended strand (participates in β ladder)trans-109.8106.5176.7-44.9175000107C18 A43 E44 F61 L109 I110 S111C18-I59 HydrophobicContact CB-CG2 4.3Å; C18-I59 VanDerWaalsContact SG-CG2 3.54Å; A43-I59 HydrophobicContact CB-CD1 3.64Å; A43-I59 HydrophobicContact CB-CG1 3.57Å; E44-I59 HydrophobicContact CG-CD1 3.59Å; I59-F61 HydrophobicContact CB-CE2 3.96Å; I59-F61 HydrophobicContact CB-CZ 4.14Å; I59-F61 HydrophobicContact CG2-CE1 4.1Å; I59-F61 HydrophobicContact CG2-CE2 3.66Å; I59-F61 HydrophobicContact CG2-CZ 3.41Å; I59-F61 VanDerWaalsContact CG2-CZ 3.41Å; I59-F61 WeakPolarHBondContact O-CD2 3.2Å; I59-F61 WeakPolarHBondContact O-CE2 3.48Å; I59-L109 HydrophobicContact CD1-CD1 4.35Å; I59-L109 HydrophobicContact CG1-CD1 4.33Å; I59-L109 PolarHBondContact N-O 2.95Å; I59-I110 HydrophobicContact CB-CD1 4.22Å; I59-I110 HydrophobicContact CD1-CD1 4.2Å; I59-S111 PolarHBondContact O-N 3.49Å
60A97Very high92.9Very high0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-92.6132-178.400000111.5F16 I17 C18 P62 V100 S111F16-A60 PolarHBondContact O-N 3.3Å; I17-A60 HydrophobicContact CD1-CB 3.86Å; C18-A60 CarbonylContact C-O 3.55Å; C18-A60 VanDerWaalsContact CA-O 3.28Å; C18-A60 WeakPolarHBondContact CA-O 3.04Å; C18-A60 VanDerWaalsContact CB-O 3.28Å; C18-A60 WeakPolarHBondContact CB-O 3.25Å; C18-A60 PolarHBondContact N-O 3.1Å; A60-P62 WeakPolarHBondContact O-CD 3.46Å; A60-V100 HydrophobicContact CB-CG1 4.06Å; A60-V100 HydrophobicContact CB-CG2 3.86Å; A60-S111 WeakPolarHBondContact CA-O 3.44Å
61F96.2Very high93Very high0 Ų041.8 Ų41.80%024%0.241CC..EExtended strand (participates in β ladder)trans-114.773.5177-55.8-89.4000110.2C18 S19 L20 S22 Q23 R40 I59 I110 S111C18-F61 HydrophobicContact CB-CD1 3.84Å; C18-F61 HydrophobicContact CB-CE1 3.92Å; S19-F61 WeakPolarHBondContact O-CD1 3.42Å; L20-F61 HydrophobicContact CD2-CB 4.03Å; L20-F61 WeakPolarHBondContact CD2-O 3.37Å; S22-F61 WeakPolarHBondContact OG-CD1 3.4Å; S22-F61 VanDerWaalsContact OG-CE1 3.29Å; S22-F61 WeakPolarHBondContact OG-CE1 3.45Å; Q23-F61 HydrophobicContact CG-CD1 3.56Å; Q23-F61 HydrophobicContact CG-CE1 3.72Å; Q23-F61 HydrophobicContact CG-CG 4.22Å; Q23-F61 HydrophobicContact CG-CZ 4.5Å; R40-F61 HydrophobicContact CG-CZ 4.31Å; I59-F61 HydrophobicContact CB-CE2 3.96Å; I59-F61 HydrophobicContact CB-CZ 4.14Å; I59-F61 HydrophobicContact CG2-CE1 4.1Å; I59-F61 HydrophobicContact CG2-CE2 3.66Å; I59-F61 HydrophobicContact CG2-CZ 3.41Å; I59-F61 VanDerWaalsContact CG2-CZ 3.41Å; I59-F61 WeakPolarHBondContact O-CD2 3.2Å; I59-F61 WeakPolarHBondContact O-CE2 3.48Å; F61-I110 HydrophobicContact CD2-CG2 3.79Å; F61-I110 HydrophobicContact CE2-CD1 3.59Å; F61-I110 HydrophobicContact CE2-CG2 3.65Å; F61-I110 HydrophobicContact CZ-CD1 4.11Å; F61-S111 PolarHBondContact N-O 2.93Å
62P96Very high93.4Very high22 Ų2247.5 Ų47.514%0.14326%0.26CS..  trans-65.6144.9178.828-35.2000111.4I17 L20 A60 V96I17-P62 HydrophobicContact CG2-CG 4.05Å; L20-P62 PolarHBondContact N-O 3.47Å; A60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-V96 HydrophobicContact CB-CG1 3.75Å
63P94.6Very high93.7Very high19 Ų1945.6 Ų45.612%0.12325%0.252CS..  trans-76.8179.9168.234.2-36.8000111.2L20 T65 A91 V96 C113L20-P63 HydrophobicContact CD1-CB 3.67Å; L20-P63 HydrophobicContact CG-CB 4.4Å; P63-T65 PolarHBondContact O-N 3.3Å; P63-T65 PolarHBondContact O-OG1 3Å; P63-A91 HydrophobicContact CG-CB 3.66Å; P63-V96 HydrophobicContact CG-CG2 4.14Å; P63-C113 HydrophobicContact CG-CB 4.21Å
64D93.6Very high94Very high27 Ų2740.2 Ų40.214%0.14423%0.23CC..  trans-53.5126.4164.8-76.53.1000109Y70 L90 A91D64-Y70 HydrophobicContact CB-CD2 4.41Å; D64-Y70 HydrophobicContact CB-CE2 3.74Å; D64-Y70 WeakPolarHBondContact OD2-CE2 3.35Å; D64-Y70 PolarHBondContact OD2-OH 3.31Å; D64-L90 HydrophobicContact CB-CD1 4.08Å; D64-A91 PolarHBondContact O-N 3.28Å
65T94.7Very high94.2Very high24 Ų2444.9 Ų44.915%0.14726%0.256CS..BIsolated β-bridgetrans-123.6132.3-171.4-52.30000110P63 T67 Y70 A91 P93 V96P63-T65 PolarHBondContact O-N 3.3Å; P63-T65 PolarHBondContact O-OG1 3Å; T65-T67 HydrophobicContact CG2-CG2 3.91Å; T65-T67 PolarHBondContact O-N 3.29Å; T65-T67 PolarHBondContact O-OG1 3.4Å; T65-Y70 VanDerWaalsContact O-CB 3.32Å; T65-Y70 WeakPolarHBondContact O-CB 3.31Å; T65-A91 WeakPolarHBondContact CA-O 3.28Å; T65-P93 VanDerWaalsContact CG2-CA 3.43Å; T65-P93 HydrophobicContact CG2-CB 3.83Å; T65-V96 HydrophobicContact CG2-CB 4.41Å; T65-V96 HydrophobicContact CG2-CG2 4.12Å
66D94.8Very high94Very high92 Ų9247.5 Ų47.549%0.49229%0.287SS..  trans-66.694.4-178.8-16810.4000111.1L90 A91D66-L90 HydrophobicContact CB-CD1 4.4Å; D66-L90 HydrophobicContact CB-CD2 3.65Å; D66-L90 HydrophobicContact CB-CG 3.82Å; D66-A91 PolarHBondContact N-O 3.5Å
67T95.1Very high94Very high46 Ų4648.1 Ų48.128%0.28229%0.289SS..SBendtrans-143.1156.1-176.6610000110T65 G69 Y70 I71 P93T65-T67 HydrophobicContact CG2-CG2 3.91Å; T65-T67 PolarHBondContact O-N 3.29Å; T65-T67 PolarHBondContact O-OG1 3.4Å; T67-G69 PolarHBondContact O-N 2.84Å; T67-G69 VanDerWaalsContact O-N 3.11Å; T67-Y70 WeakPolarHBondContact O-CB 3.49Å; T67-Y70 PolarHBondContact O-N 3.46Å; T67-Y70 PolarHBondContact OG1-N 3.47Å; T67-I71 PolarHBondContact O-N 3.29Å; T67-P93 HydrophobicContact CG2-CB 4.25Å
68P94.6Very high94Very high114 Ų11450.5 Ų50.574%0.7431%0.305SS*.Hα-helixtrans-55-30.2170.5-26.135.2000113.1I71 H72P68-I71 PolarHBondContact O-N 2.94Å; P68-H72 PolarHBondContact O-N 3.24Å; P68-H72 VanDerWaalsContact O-N 3.15Å
69G92.6Very high93.9Very high46 Ų4654.8 Ų54.847%0.47433%0.331SS..Hα-helixtrans-63.5-41.4174.400000112.9T67 I71 H72 E73T67-G69 PolarHBondContact O-N 2.84Å; T67-G69 VanDerWaalsContact O-N 3.11Å; G69-I71 VanDerWaalsContact C-N 3.35Å; G69-I71 PolarHBondContact O-N 3.1Å; G69-H72 PolarHBondContact O-N 2.63Å; G69-E73 WeakPolarHBondContact O-CB 3.31Å; G69-E73 PolarHBondContact O-N 2.96Å
70Y92.7Very high93.8Very high37 Ų3754.9 Ų54.915%0.14533%0.332CS..Hα-helixtrans-65.2-37.6176.3-175-111000112.4D64 T65 T67 H72 E73 N74 L90D64-Y70 HydrophobicContact CB-CD2 4.41Å; D64-Y70 HydrophobicContact CB-CE2 3.74Å; D64-Y70 WeakPolarHBondContact OD2-CE2 3.35Å; D64-Y70 PolarHBondContact OD2-OH 3.31Å; T65-Y70 VanDerWaalsContact O-CB 3.32Å; T65-Y70 WeakPolarHBondContact O-CB 3.31Å; T67-Y70 WeakPolarHBondContact O-CB 3.49Å; T67-Y70 PolarHBondContact O-N 3.46Å; T67-Y70 PolarHBondContact OG1-N 3.47Å; Y70-H72 VanDerWaalsContact C-N 3.32Å; Y70-H72 PolarHBondContact O-N 3.04Å; Y70-E73 PolarHBondContact O-N 3.42Å; Y70-N74 WeakPolarHBondContact CD1-ND2 3.29Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.49Å; Y70-N74 PolarHBondContact O-N 3.45Å; Y70-N74 VanDerWaalsContact O-N 3.1Å; Y70-N74 PolarHBondContact O-ND2 3.21Å; Y70-L90 HydrophobicContact CD1-CD1 3.72Å; Y70-L90 HydrophobicContact CE1-CD1 3.59Å; Y70-L90 HydrophobicContact CG-CD1 4.3Å
71I92.4Very high93.7Very high115 Ų11554.9 Ų54.959%0.5933%0.332SS*.Hα-helixtrans-60-46.2173.8-59.9173.5000110.1T67 P68 G69 N74T67-I71 PolarHBondContact O-N 3.29Å; P68-I71 PolarHBondContact O-N 2.94Å; G69-I71 VanDerWaalsContact C-N 3.35Å; G69-I71 PolarHBondContact O-N 3.1Å; I71-N74 PolarHBondContact O-N 2.89Å
72H93.8Very high93.6Very high147 Ų14759.2 Ų59.268%0.68135%0.35SS*.Hα-helixtrans-64-42.4177.2-176.371.2000112.5P68 G69 Y70 N74 V75P68-H72 PolarHBondContact O-N 3.24Å; P68-H72 VanDerWaalsContact O-N 3.15Å; G69-H72 PolarHBondContact O-N 2.63Å; Y70-H72 VanDerWaalsContact C-N 3.32Å; Y70-H72 PolarHBondContact O-N 3.04Å; H72-N74 PolarHBondContact O-N 2.9Å; H72-V75 VanDerWaalsContact O-CB 3.25Å; H72-V75 WeakPolarHBondContact O-CB 3.43Å; H72-V75 WeakPolarHBondContact O-CG2 3.44Å; H72-V75 PolarHBondContact O-N 2.85Å
73E90.3Very high93.4Very high77 Ų7759.3 Ų59.336%0.3635%0.353SS..Hα-helixtrans-60.6-29.6177.4-165-160.4128.100112.6Y29 G69 Y70 V75 K77Y29-E73 PolarHBondContact OH-OE1 2.81Å; G69-E73 WeakPolarHBondContact O-CB 3.31Å; G69-E73 PolarHBondContact O-N 2.96Å; Y70-E73 PolarHBondContact O-N 3.42Å; E73-V75 PolarHBondContact O-N 2.74Å; E73-K77 WeakPolarHBondContact O-CE 3.33Å; E73-K77 WeakPolarHBondContact OE1-CE 3.23Å; E73-K77 IonicContact OE1-NZ 2.98Å; E73-K77 PolarHBondContact OE1-NZ 3.23Å
74N91.4Very high93.4Very high39 Ų3958.5 Ų58.521%0.20935%0.348CS..THydrogen-bonded Turntrans-75.8-9.4177-76.5-48.9000114.1Y70 I71 H72 G76 K77 K82Y70-N74 WeakPolarHBondContact CD1-ND2 3.29Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.49Å; Y70-N74 PolarHBondContact O-N 3.45Å; Y70-N74 VanDerWaalsContact O-N 3.1Å; Y70-N74 PolarHBondContact O-ND2 3.21Å; I71-N74 PolarHBondContact O-N 2.89Å; H72-N74 PolarHBondContact O-N 2.9Å; N74-G76 PolarHBondContact O-N 2.85Å; N74-K77 WeakPolarHBondContact OD1-CD 3.27Å; N74-K77 WeakPolarHBondContact OD1-CE 3.13Å; N74-K77 PolarHBondContact OD1-NZ 2.76Å; N74-K82 VanDerWaalsContact O-CE 3.31Å; N74-K82 WeakPolarHBondContact O-CE 3.32Å; N74-K82 PolarHBondContact O-NZ 3.43Å
75V93.1Very high93.2Very high111 Ų11157.9 Ų57.967%0.67335%0.346SS*.SBendtrans-72.1114.4171.8-1770000108.7H72 E73 K77H72-V75 VanDerWaalsContact O-CB 3.25Å; H72-V75 WeakPolarHBondContact O-CB 3.43Å; H72-V75 WeakPolarHBondContact O-CG2 3.44Å; H72-V75 PolarHBondContact O-N 2.85Å; E73-V75 PolarHBondContact O-N 2.74Å; V75-K77 PolarHBondContact O-N 3.36Å
76G90Very high92.9Very high77 Ų7760.4 Ų60.479%0.79437%0.369SS*.SBendtrans77.3-3.1-178.900000115.5N74N74-G76 PolarHBondContact O-N 2.85Å
77K94.2Very high92.3Very high15 Ų1559.5 Ų59.57%0.06537%0.367CS..  trans-57.4127.5174.5-177.4-178.8-63.1-175.10110.3Y29 E73 N74 V75 T81 K82Y29-K77 WeakPolarHBondContact OH-CE 3.45Å; Y29-K77 PolarHBondContact OH-NZ 3.43Å; E73-K77 WeakPolarHBondContact O-CE 3.33Å; E73-K77 WeakPolarHBondContact OE1-CE 3.23Å; E73-K77 IonicContact OE1-NZ 2.98Å; E73-K77 PolarHBondContact OE1-NZ 3.23Å; N74-K77 WeakPolarHBondContact OD1-CD 3.27Å; N74-K77 WeakPolarHBondContact OD1-CE 3.13Å; N74-K77 PolarHBondContact OD1-NZ 2.76Å; V75-K77 PolarHBondContact O-N 3.36Å; K77-T81 HydrophobicContact CD-CG2 3.92Å; K77-T81 HydrophobicContact CG-CG2 3.83Å; K77-K82 HydrophobicContact CB-CG 4.27Å; K77-K82 HydrophobicContact CD-CG 3.83Å; K77-K82 HydrophobicContact CG-CG 3.94Å; K77-K82 WeakPolarHBondContact O-CE 3.11Å
78P94.4Very high91.6Very high52 Ų5258.6 Ų58.634%0.33836%0.364SS..  trans-55.9147.6-178.6-26.634.1000112.7Y27 A80 T81 K82Y27-P78 HydrophobicContact CE1-CB 3.81Å; Y27-P78 HydrophobicContact CE1-CG 4.26Å; P78-A80 VanDerWaalsContact C-N 3.28Å; P78-A80 PolarHBondContact O-N 3.46Å; P78-T81 WeakPolarHBondContact O-CB 3.41Å; P78-T81 PolarHBondContact O-N 3.43Å; P78-T81 VanDerWaalsContact O-N 3.07Å; P78-K82 PolarHBondContact O-N 3.39Å
79V94Very high91.2Very high90 Ų9055.2 Ų55.255%0.54535%0.35SS..Hα-helixtrans-59.7-40.7-179.1-176.40000111.2T81 K82 A83 Y176V79-T81 PolarHBondContact O-N 2.93Å; V79-K82 PolarHBondContact O-N 2.99Å; V79-A83 WeakPolarHBondContact O-CB 3.37Å; V79-A83 PolarHBondContact O-N 2.87Å; V79-Y176 HydrophobicContact CB-CD1 4.22Å; V79-Y176 HydrophobicContact CG1-CD1 3.58Å; V79-Y176 HydrophobicContact CG1-CE1 3.56Å; V79-Y176 HydrophobicContact CG1-CG 4.17Å
80A94.6Very high91.1Very high2 Ų257.1 Ų57.12%0.01735%0.348CS..Hα-helixtrans-58.3-45.1174.300000112.4Y27 P78 A83 I84 Y176Y27-A80 HydrophobicContact CD1-CB 3.57Å; Y27-A80 HydrophobicContact CE1-CB 3.7Å; Y27-A80 HydrophobicContact CG-CB 4.33Å; P78-A80 VanDerWaalsContact C-N 3.28Å; P78-A80 PolarHBondContact O-N 3.46Å; A80-A83 PolarHBondContact O-N 2.93Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 3.4Å; A80-Y176 HydrophobicContact CB-CD2 4.29Å; A80-Y176 HydrophobicContact CB-CG 4.49Å
81T94.8Very high91.1Very high0 Ų056.6 Ų56.60%035%0.352CS..Hα-helixtrans-63.2-44.9177.4-50.70000110.9V26 Y27 Y29 K77 P78 V79 A83 I84 S85V26-T81 HydrophobicContact CG1-CG2 4.41Å; Y27-T81 WeakPolarHBondContact CD1-OG1 3.29Å; Y27-T81 WeakPolarHBondContact O-CB 3.26Å; Y27-T81 WeakPolarHBondContact O-CG2 3.38Å; Y27-T81 PolarHBondContact O-OG1 3.2Å; Y29-T81 HydrophobicContact CD1-CG2 4.48Å; Y29-T81 HydrophobicContact CD2-CG2 4.29Å; Y29-T81 HydrophobicContact CE1-CG2 4.04Å; Y29-T81 HydrophobicContact CE2-CG2 3.78Å; K77-T81 HydrophobicContact CD-CG2 3.92Å; K77-T81 HydrophobicContact CG-CG2 3.83Å; P78-T81 WeakPolarHBondContact O-CB 3.41Å; P78-T81 PolarHBondContact O-N 3.43Å; P78-T81 VanDerWaalsContact O-N 3.07Å; V79-T81 PolarHBondContact O-N 2.93Å; T81-A83 VanDerWaalsContact C-N 3.33Å; T81-A83 PolarHBondContact O-N 3.28Å; T81-I84 PolarHBondContact O-N 2.77Å; T81-S85 WeakPolarHBondContact O-CB 3.48Å; T81-S85 PolarHBondContact O-N 3.21Å; T81-S85 PolarHBondContact O-OG 3.28Å
82K93.3Very high91.3Very high91 Ų9153.1 Ų53.140%0.39634%0.338SS..Hα-helixtrans-58.7-43.6176-70.6179.1178.6177.60112N74 K77 P78 V79 S85 A86N74-K82 VanDerWaalsContact O-CE 3.31Å; N74-K82 WeakPolarHBondContact O-CE 3.32Å; N74-K82 PolarHBondContact O-NZ 3.43Å; K77-K82 HydrophobicContact CB-CG 4.27Å; K77-K82 HydrophobicContact CD-CG 3.83Å; K77-K82 HydrophobicContact CG-CG 3.94Å; K77-K82 WeakPolarHBondContact O-CE 3.11Å; P78-K82 PolarHBondContact O-N 3.39Å; V79-K82 PolarHBondContact O-N 2.99Å; K82-S85 PolarHBondContact O-N 2.9Å; K82-A86 VanDerWaalsContact O-CB 3.28Å; K82-A86 WeakPolarHBondContact O-CB 3.15Å; K82-A86 PolarHBondContact O-N 2.98Å
83A93.1Very high91.4Very high24 Ų2448.8 Ų48.820%0.19832%0.323CS..Hα-helixtrans-65.2-37.717900000112.6V79 A80 T81 I172 Y176V79-A83 WeakPolarHBondContact O-CB 3.37Å; V79-A83 PolarHBondContact O-N 2.87Å; A80-A83 PolarHBondContact O-N 2.93Å; T81-A83 VanDerWaalsContact C-N 3.33Å; T81-A83 PolarHBondContact O-N 3.28Å; A83-I172 HydrophobicContact CB-CG2 3.79Å; A83-Y176 HydrophobicContact CB-CD2 4.42Å; A83-Y176 HydrophobicContact CB-CE2 3.7Å
84I93.3Very high91.7Very high3 Ų351 Ų512%0.01534%0.337CS..Hα-helixtrans-70.5-48.5175.2-65.5167.7000110.7V26 A80 T81 A86 T87 W168 M169 I172V26-I84 HydrophobicContact CG1-CB 4.42Å; V26-I84 HydrophobicContact CG1-CG2 3.92Å; A80-I84 WeakPolarHBondContact O-CG1 3.42Å; A80-I84 PolarHBondContact O-N 3.4Å; T81-I84 PolarHBondContact O-N 2.77Å; I84-A86 VanDerWaalsContact C-N 3.26Å; I84-A86 PolarHBondContact O-N 3.11Å; I84-T87 PolarHBondContact O-N 3.19Å; I84-T87 PolarHBondContact O-OG1 3.15Å; I84-W168 HydrophobicContact CG1-CZ3 4.42Å; I84-M169 HydrophobicContact CD1-CB 4.08Å; I84-M169 HydrophobicContact CD1-CG 4.16Å; I84-M169 HydrophobicContact CG1-CB 4.46Å; I84-M169 HydrophobicContact CG1-CG 4.15Å; I84-M169 HydrophobicContact CG2-CG 3.8Å; I84-M169 HydrophobicContact CG2-SD 3.73Å; I84-I172 HydrophobicContact CD1-CG2 4.28Å; I84-I172 HydrophobicContact CG1-CB 4.19Å; I84-I172 HydrophobicContact CG1-CG2 3.77Å
85S89.8Confident91.9Very high14 Ų1454.1 Ų54.110%0.09835%0.354CS..Hα-helixtrans-63.8-30.3-179.3-68.50000113.2T81 K82 T87 A88T81-S85 WeakPolarHBondContact O-CB 3.48Å; T81-S85 PolarHBondContact O-N 3.21Å; T81-S85 PolarHBondContact O-OG 3.28Å; K82-S85 PolarHBondContact O-N 2.9Å; S85-T87 PolarHBondContact O-N 2.89Å; S85-A88 PolarHBondContact O-N 3.35Å
86A87.9Confident92.1Very high76 Ų7649.6 Ų49.663%0.62833%0.326SS*.G310 helixtrans-60.4-19.6-178.200000114.3K82 I84 A88K82-A86 VanDerWaalsContact O-CB 3.28Å; K82-A86 WeakPolarHBondContact O-CB 3.15Å; K82-A86 PolarHBondContact O-N 2.98Å; I84-A86 VanDerWaalsContact C-N 3.26Å; I84-A86 PolarHBondContact O-N 3.11Å; A86-A88 VanDerWaalsContact C-N 3.35Å
87T83.4Confident92.4Very high74 Ų7448.7 Ų48.745%0.45431%0.312SS..G310 helixtrans-78.2-18.8177.456.70000113.8I84 S85 G89 Y165 W168I84-T87 PolarHBondContact O-N 3.19Å; I84-T87 PolarHBondContact O-OG1 3.15Å; S85-T87 PolarHBondContact O-N 2.89Å; T87-G89 VanDerWaalsContact C-N 3.32Å; T87-Y165 PolarHBondContact OG1-OH 2.98Å; T87-W168 HydrophobicContact CG2-CH2 3.38Å; T87-W168 HydrophobicContact CG2-CZ2 4.04Å; T87-W168 HydrophobicContact CG2-CZ3 3.94Å
88A80Confident92.5Very high27 Ų2754.3 Ų54.322%0.22334%0.336CS..G310 helixtrans-85.3-4.9-176.500000113.9S85 A86 E116S85-A88 PolarHBondContact O-N 3.35Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A88-E116 WeakPolarHBondContact CA-OE1 3.48Å; A88-E116 WeakPolarHBondContact CA-OE2 3.44Å; A88-E116 VanDerWaalsContact CB-OE1 3.25Å; A88-E116 WeakPolarHBondContact CB-OE1 3.38Å; A88-E116 WeakPolarHBondContact CB-OE2 3.49Å; A88-E116 VanDerWaalsContact O-OE2 3.08Å
89G85Confident92.6Very high43 Ų4353.4 Ų53.444%0.44333%0.331SS..  trans67-170.2-174.200000113.2T87T87-G89 VanDerWaalsContact C-N 3.32Å
90L90.8Very high92.8Very high85 Ų8550 Ų5045%0.44531%0.31SS..  trans-132118-180-170.966.6000108.6D64 D66 Y70D64-L90 HydrophobicContact CB-CD1 4.08Å; D66-L90 HydrophobicContact CB-CD1 4.4Å; D66-L90 HydrophobicContact CB-CD2 3.65Å; D66-L90 HydrophobicContact CB-CG 3.82Å; Y70-L90 HydrophobicContact CD1-CD1 3.72Å; Y70-L90 HydrophobicContact CE1-CD1 3.59Å; Y70-L90 HydrophobicContact CG-CD1 4.3Å
91A93.9Very high92.9Very high26 Ų2657.2 Ų57.222%0.21534%0.338CS..BIsolated β-bridgetrans-87.7151.1-176.900000112P63 D64 T65 D66 V96P63-A91 HydrophobicContact CG-CB 3.66Å; D64-A91 PolarHBondContact O-N 3.28Å; T65-A91 WeakPolarHBondContact CA-O 3.28Å; D66-A91 PolarHBondContact N-O 3.5Å; A91-V96 HydrophobicContact CB-CG2 3.69Å
92S95.5Very high93Very high43 Ų4360.8 Ų60.830%0.30136%0.357SS..  trans-67.2136.8170172.20000110.4D94 D95 V96S92-D94 PolarHBondContact O-N 3.42Å; S92-D94 PolarHBondContact OG-N 3.48Å; S92-D95 PolarHBondContact O-N 2.83Å; S92-V96 WeakPolarHBondContact O-CG2 3.28Å; S92-V96 PolarHBondContact O-N 2.9Å; S92-V96 VanDerWaalsContact O-N 3.1Å
93P96.2Very high93.1Very high55 Ų5557.4 Ų57.436%0.35734%0.343SS..Hα-helixtrans-59-34.1174.324.2-33.5000112.8T65 T67 A97T65-P93 VanDerWaalsContact CG2-CA 3.43Å; T65-P93 HydrophobicContact CG2-CB 3.83Å; T67-P93 HydrophobicContact CG2-CB 4.25Å; P93-A97 WeakPolarHBondContact O-CB 3.42Å; P93-A97 PolarHBondContact O-N 3.05Å
94D96.6Very high93.2Very high124 Ų12457.8 Ų57.866%0.66334%0.341SS*.Hα-helixtrans-67.1-39.6178.7-67.9-40.2000111.8S92 K98S92-D94 PolarHBondContact O-N 3.42Å; S92-D94 PolarHBondContact OG-N 3.48Å; D94-K98 WeakPolarHBondContact O-CB 3.21Å; D94-K98 PolarHBondContact O-N 3.43Å
95D95.5Very high93.2Very high105 Ų10559.9 Ų59.956%0.56135%0.354SS*.Hα-helixtrans-69.2-42.4178.8-71.2-30.8000111.3S92 K98 S99S92-D95 PolarHBondContact O-N 2.83Å; D95-K98 PolarHBondContact O-N 3.41Å; D95-S99 WeakPolarHBondContact O-CB 3.45Å; D95-S99 PolarHBondContact O-N 3.49Å
96V96.9Very high93.2Very high15 Ų1563.6 Ų63.69%0.09137%0.373CS..Hα-helixtrans-63.3-48.6175.51750000110.2P62 P63 T65 A91 S92 K98 S99 V100 C113P62-V96 HydrophobicContact CB-CG1 3.75Å; P63-V96 HydrophobicContact CG-CG2 4.14Å; T65-V96 HydrophobicContact CG2-CB 4.41Å; T65-V96 HydrophobicContact CG2-CG2 4.12Å; A91-V96 HydrophobicContact CB-CG2 3.69Å; S92-V96 WeakPolarHBondContact O-CG2 3.28Å; S92-V96 PolarHBondContact O-N 2.9Å; S92-V96 VanDerWaalsContact O-N 3.1Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.49Å; V96-S99 PolarHBondContact O-N 3.23Å; V96-V100 HydrophobicContact CG1-CG2 4.45Å; V96-V100 WeakPolarHBondContact O-CB 3.34Å; V96-V100 VanDerWaalsContact O-CG2 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.44Å; V96-V100 PolarHBondContact O-N 2.87Å; V96-C113 HydrophobicContact CG2-CB 4.45Å
97A97Very high93.4Very high59 Ų5960.2 Ų60.249%0.48835%0.346SS..Hα-helixtrans-60.2-44.1178.600000111.7P93 Y101P93-A97 WeakPolarHBondContact O-CB 3.42Å; P93-A97 PolarHBondContact O-N 3.05Å; A97-Y101 WeakPolarHBondContact O-CB 3.32Å; A97-Y101 PolarHBondContact O-N 3.33Å
98K97.3Very high93.8Very high132 Ų13257.7 Ų57.757%0.57433%0.328SS*.Hα-helixtrans-62.4-45.7177.2-178179.7178.7-176.60111.8D94 D95 V96 Y101 L102D94-K98 WeakPolarHBondContact O-CB 3.21Å; D94-K98 PolarHBondContact O-N 3.43Å; D95-K98 PolarHBondContact O-N 3.41Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.49Å; K98-Y101 PolarHBondContact O-N 3.25Å; K98-L102 HydrophobicContact CG-CD1 3.94Å; K98-L102 HydrophobicContact CG-CG 4.42Å; K98-L102 WeakPolarHBondContact O-CB 3.25Å; K98-L102 VanDerWaalsContact O-CG 3.26Å; K98-L102 WeakPolarHBondContact O-CG 3.25Å; K98-L102 PolarHBondContact O-N 2.94Å
99S96.1Very high94.5Very high33 Ų3357.5 Ų57.523%0.23132%0.324CS..Hα-helixtrans-61.3-49.3179.3-160.70000111.1D95 V96 Y101 L102 D103 T112D95-S99 WeakPolarHBondContact O-CB 3.45Å; D95-S99 PolarHBondContact O-N 3.49Å; V96-S99 PolarHBondContact O-N 3.23Å; S99-Y101 PolarHBondContact O-N 3.44Å; S99-L102 PolarHBondContact O-N 3.25Å; S99-D103 WeakPolarHBondContact O-CB 3.48Å; S99-D103 PolarHBondContact O-N 2.9Å; S99-T112 PolarHBondContact OG-O 3.36Å
100V97.4Very high95Very high18 Ų1855.8 Ų55.811%0.10930%0.304CS..Hα-helixtrans-61.8-45.6178.2173.40000111.1I17 A60 V96 D103 I104 S111I17-V100 HydrophobicContact CD1-CG1 4.22Å; A60-V100 HydrophobicContact CB-CG1 4.06Å; A60-V100 HydrophobicContact CB-CG2 3.86Å; V96-V100 HydrophobicContact CG1-CG2 4.45Å; V96-V100 WeakPolarHBondContact O-CB 3.34Å; V96-V100 VanDerWaalsContact O-CG2 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.44Å; V96-V100 PolarHBondContact O-N 2.87Å; V100-D103 PolarHBondContact O-N 3.17Å; V100-I104 HydrophobicContact CG1-CD1 3.6Å; V100-I104 HydrophobicContact CG1-CG1 4.33Å; V100-I104 WeakPolarHBondContact O-CB 3.13Å; V100-I104 WeakPolarHBondContact O-CD1 3.48Å; V100-I104 WeakPolarHBondContact O-CG1 3.35Å; V100-I104 PolarHBondContact O-N 2.84Å; V100-S111 WeakPolarHBondContact CA-OG 3.29Å
101Y97Very high95.2Very high154 Ų15451.7 Ų51.760%0.60428%0.283SS*.Hα-helixtrans-59.8-48.8178177-99.6000112A97 K98 S99 D103 I104 T105A97-Y101 WeakPolarHBondContact O-CB 3.32Å; A97-Y101 PolarHBondContact O-N 3.33Å; K98-Y101 PolarHBondContact O-N 3.25Å; S99-Y101 PolarHBondContact O-N 3.44Å; Y101-D103 PolarHBondContact O-N 3.19Å; Y101-I104 PolarHBondContact O-N 3.09Å; Y101-T105 HydrophobicContact CD1-CG2 4.35Å; Y101-T105 HydrophobicContact CD2-CG2 4.38Å; Y101-T105 HydrophobicContact CE1-CG2 3.94Å; Y101-T105 HydrophobicContact CE2-CG2 3.98Å; Y101-T105 WeakPolarHBondContact O-CG2 3.23Å; Y101-T105 PolarHBondContact O-N 2.67Å; Y101-T105 PolarHBondContact O-OG1 3.33Å
102L95.9Very high95.2Very high76 Ų7650.9 Ų50.940%0.39828%0.275SS..Hα-helixtrans-62.8-44.8-179.7-71.6174.7000111.5K98 S99 I104 T105 N106K98-L102 HydrophobicContact CG-CD1 3.94Å; K98-L102 HydrophobicContact CG-CG 4.42Å; K98-L102 WeakPolarHBondContact O-CB 3.25Å; K98-L102 VanDerWaalsContact O-CG 3.26Å; K98-L102 WeakPolarHBondContact O-CG 3.25Å; K98-L102 PolarHBondContact O-N 2.94Å; S99-L102 PolarHBondContact O-N 3.25Å; L102-I104 PolarHBondContact O-N 2.65Å; L102-T105 WeakPolarHBondContact CA-OG1 3.43Å; L102-T105 PolarHBondContact O-N 3Å; L102-T105 PolarHBondContact O-OG1 3.22Å; L102-N106 WeakPolarHBondContact O-CB 3.4Å; L102-N106 PolarHBondContact O-N 3.22Å; L102-N106 PolarHBondContact O-ND2 3.16Å; L102-N106 VanDerWaalsContact O-ND2 3.17Å
103D95.5Very high95Very high19 Ų1949.4 Ų49.410%0.10226%0.264CS..Hα-helixtrans-64.4-39.6177.9-74-30.3000112.3S99 V100 Y101 N106 G107 K108 S111S99-D103 WeakPolarHBondContact O-CB 3.48Å; S99-D103 PolarHBondContact O-N 2.9Å; V100-D103 PolarHBondContact O-N 3.17Å; Y101-D103 PolarHBondContact O-N 3.19Å; D103-N106 PolarHBondContact O-N 3.31Å; D103-G107 PolarHBondContact O-N 3.44Å; D103-G107 VanDerWaalsContact O-N 3.1Å; D103-K108 HydrophobicContact CB-CB 4.24Å; D103-K108 HydrophobicContact CB-CD 4.22Å; D103-K108 PolarHBondContact O-N 2.85Å; D103-K108 WeakPolarHBondContact OD1-CD 3.21Å; D103-K108 IonicContact OD1-NZ 3.88Å; D103-K108 PolarHBondContact OD1-NZ 2.79Å; D103-K108 IonicContact OD2-NZ 3.32Å; D103-S111 VanDerWaalsContact CB-CB 3.49Å; D103-S111 WeakPolarHBondContact CB-OG 3.35Å; D103-S111 WeakPolarHBondContact OD2-CA 3.3Å; D103-S111 WeakPolarHBondContact OD2-CB 3.35Å; D103-S111 PolarHBondContact OD2-OG 3.47Å
104I95.3Very high94.7Very high33 Ų3349.5 Ų49.517%0.16928%0.275CS..Hα-helixtrans-59.3-51.2172.4-71.4165.8000109.8R13 A15 T58 V100 Y101 L102 N106 G107R13-I104 HydrophobicContact CB-CG2 4.07Å; R13-I104 WeakPolarHBondContact CD-O 3.4Å; R13-I104 HydrophobicContact CG-CG2 4.43Å; R13-I104 PolarHBondContact NH1-O 3.15Å; A15-I104 HydrophobicContact CB-CD1 3.48Å; A15-I104 VanDerWaalsContact CB-CD1 3.48Å; A15-I104 HydrophobicContact CB-CG1 3.89Å; T58-I104 HydrophobicContact CG2-CG1 3.88Å; V100-I104 HydrophobicContact CG1-CD1 3.6Å; V100-I104 HydrophobicContact CG1-CG1 4.33Å; V100-I104 WeakPolarHBondContact O-CB 3.13Å; V100-I104 WeakPolarHBondContact O-CD1 3.48Å; V100-I104 WeakPolarHBondContact O-CG1 3.35Å; V100-I104 PolarHBondContact O-N 2.84Å; Y101-I104 PolarHBondContact O-N 3.09Å; L102-I104 PolarHBondContact O-N 2.65Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.39Å; I104-G107 PolarHBondContact O-N 3.27Å
105T93.1Very high94.3Very high47 Ų4749.5 Ų49.529%0.28828%0.275SS..Hα-helixtrans-66-32.2-178.358.50000113.2R13 Y101 L102 G107R13-T105 VanDerWaalsContact NH1-C 3.35Å; R13-T105 PolarHBondContact NH1-O 3.25Å; R13-T105 PolarHBondContact NH2-O 3.37Å; R13-T105 VanDerWaalsContact NH2-O 3.15Å; Y101-T105 HydrophobicContact CD1-CG2 4.35Å; Y101-T105 HydrophobicContact CD2-CG2 4.38Å; Y101-T105 HydrophobicContact CE1-CG2 3.94Å; Y101-T105 HydrophobicContact CE2-CG2 3.98Å; Y101-T105 WeakPolarHBondContact O-CG2 3.23Å; Y101-T105 PolarHBondContact O-N 2.67Å; Y101-T105 PolarHBondContact O-OG1 3.33Å; L102-T105 WeakPolarHBondContact CA-OG1 3.43Å; L102-T105 PolarHBondContact O-N 3Å; L102-T105 PolarHBondContact O-OG1 3.22Å; T105-G107 PolarHBondContact O-N 3.43Å
106N91.2Very high94Very high92 Ų9248.2 Ų48.249%0.49227%0.265SS..Hα-helixtrans-74.4-13.4174.2-70.6-29.2000112.7L102 D103 I104 K108 R134L102-N106 WeakPolarHBondContact O-CB 3.4Å; L102-N106 PolarHBondContact O-N 3.22Å; L102-N106 PolarHBondContact O-ND2 3.16Å; L102-N106 VanDerWaalsContact O-ND2 3.17Å; D103-N106 PolarHBondContact O-N 3.31Å; I104-N106 VanDerWaalsContact C-N 3.32Å; I104-N106 PolarHBondContact O-N 3.39Å; N106-K108 VanDerWaalsContact C-N 3.33Å; N106-R134 WeakPolarHBondContact O-CD 3.25Å; N106-R134 PolarHBondContact O-NH1 3.36Å
107G91.2Very high93.7Very high5 Ų547.5 Ų47.55%0.05226%0.261CS..THydrogen-bonded Turntrans73.327.6-178.300000112.5D103 I104 T105 R134D103-G107 PolarHBondContact O-N 3.44Å; D103-G107 VanDerWaalsContact O-N 3.1Å; I104-G107 PolarHBondContact O-N 3.27Å; T105-G107 PolarHBondContact O-N 3.43Å; G107-R134 WeakPolarHBondContact O-CG 3.49Å
108K93.3Very high93.4Very high20 Ų2046.3 Ų46.39%0.08725%0.248CC..  trans-75.9133.9178.5-168.1-174.8171.5-159.80109.1T58 D103 N106 I110 V131T58-K108 WeakPolarHBondContact CB-O 3.25Å; T58-K108 WeakPolarHBondContact CG2-O 3.43Å; T58-K108 PolarHBondContact OG1-O 2.95Å; D103-K108 HydrophobicContact CB-CB 4.24Å; D103-K108 HydrophobicContact CB-CD 4.22Å; D103-K108 PolarHBondContact O-N 2.85Å; D103-K108 WeakPolarHBondContact OD1-CD 3.21Å; D103-K108 IonicContact OD1-NZ 3.88Å; D103-K108 PolarHBondContact OD1-NZ 2.79Å; D103-K108 IonicContact OD2-NZ 3.32Å; N106-K108 VanDerWaalsContact C-N 3.33Å; K108-I110 VanDerWaalsContact C-N 3.35Å; K108-I110 WeakPolarHBondContact CD-O 3.16Å; K108-I110 WeakPolarHBondContact CE-O 3.37Å; K108-I110 VanDerWaalsContact CG-O 3.25Å; K108-I110 WeakPolarHBondContact CG-O 3.21Å; K108-I110 PolarHBondContact NZ-O 3.39Å; K108-V131 WeakPolarHBondContact CE-O 3.32Å
109L93.8Very high93.1Very high24 Ų2444 Ų4413%0.12624%0.238CC..SBendtrans-70.3-33.2-178.1-177.356.6000112.1D47 V57 T58 I59 F128D47-L109 HydrophobicContact CB-CD1 3.89Å; V57-L109 HydrophobicContact CB-CD1 4.15Å; V57-L109 HydrophobicContact CG1-CD1 4.15Å; V57-L109 WeakPolarHBondContact O-CA 3.47Å; V57-L109 WeakPolarHBondContact O-CD1 3.46Å; T58-L109 CarbonylContact C-O 3.51Å; T58-L109 WeakPolarHBondContact CA-O 3.15Å; I59-L109 HydrophobicContact CD1-CD1 4.35Å; I59-L109 HydrophobicContact CG1-CD1 4.33Å; I59-L109 PolarHBondContact N-O 2.95Å; L109-F128 HydrophobicContact CD2-CE1 4.19Å; L109-F128 HydrophobicContact CD2-CE2 4.07Å; L109-F128 HydrophobicContact CD2-CZ 3.38Å; L109-F128 HydrophobicContact CG-CZ 3.85Å
110I94.8Very high92.9Very high6 Ų643.8 Ų43.83%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-115.7126.5178.1-58-70000109.9I59 F61 K108 T112 F128 V131I59-I110 HydrophobicContact CB-CD1 4.22Å; I59-I110 HydrophobicContact CD1-CD1 4.2Å; F61-I110 HydrophobicContact CD2-CG2 3.79Å; F61-I110 HydrophobicContact CE2-CD1 3.59Å; F61-I110 HydrophobicContact CE2-CG2 3.65Å; F61-I110 HydrophobicContact CZ-CD1 4.11Å; K108-I110 VanDerWaalsContact C-N 3.35Å; K108-I110 WeakPolarHBondContact CD-O 3.16Å; K108-I110 WeakPolarHBondContact CE-O 3.37Å; K108-I110 VanDerWaalsContact CG-O 3.25Å; K108-I110 WeakPolarHBondContact CG-O 3.21Å; K108-I110 PolarHBondContact NZ-O 3.39Å; I110-T112 HydrophobicContact CG2-CG2 3.91Å; I110-F128 HydrophobicContact CD1-CD1 4.45Å; I110-F128 HydrophobicContact CD1-CE1 3.55Å; I110-F128 HydrophobicContact CD1-CZ 3.68Å; I110-F128 HydrophobicContact CG1-CD1 4.19Å; I110-F128 HydrophobicContact CG1-CE1 3.28Å; I110-F128 HydrophobicContact CG1-CZ 3.86Å; I110-V131 HydrophobicContact CB-CG1 3.74Å; I110-V131 HydrophobicContact CG1-CG1 4.26Å; I110-V131 HydrophobicContact CG2-CG1 3.44Å; I110-V131 VanDerWaalsContact CG2-CG1 3.44Å
111S96.1Very high92.6Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-108.3125.91701800000110.8I59 A60 F61 V100 D103I59-S111 PolarHBondContact O-N 3.49Å; A60-S111 WeakPolarHBondContact CA-O 3.44Å; F61-S111 PolarHBondContact N-O 2.93Å; V100-S111 WeakPolarHBondContact CA-OG 3.29Å; D103-S111 VanDerWaalsContact CB-CB 3.49Å; D103-S111 WeakPolarHBondContact CB-OG 3.35Å; D103-S111 WeakPolarHBondContact OD2-CA 3.3Å; D103-S111 WeakPolarHBondContact OD2-CB 3.35Å; D103-S111 PolarHBondContact OD2-OG 3.47Å
112T94.2Very high92.4Very high8 Ų837.6 Ų37.65%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-126.8145.7179.648.80000108.9S99 I110 G117 V118 S121 V131S99-T112 PolarHBondContact OG-O 3.36Å; I110-T112 HydrophobicContact CG2-CG2 3.91Å; T112-G117 WeakPolarHBondContact CG2-O 3.27Å; T112-V118 WeakPolarHBondContact OG1-CG2 3.49Å; T112-S121 WeakPolarHBondContact CG2-OG 3.3Å; T112-V131 HydrophobicContact CG2-CG1 4.5Å
113C91Very high92.1Very high12 Ų1235.4 Ų35.48%0.08120%0.196CC..  trans-111.7130.9176.1-52.80000109.1P63 V96P63-C113 HydrophobicContact CG-CB 4.21Å; V96-C113 HydrophobicContact CG2-CB 4.45Å
114G90Very high91.8Very high57 Ų5735.7 Ų35.759%0.58820%0.199SC*.Hα-helixtrans67.2177178.900000114.5E116 V118G114-E116 VanDerWaalsContact C-N 3.35Å; G114-V118 WeakPolarHBondContact O-CG2 3.38Å; G114-V118 PolarHBondContact O-N 3.1Å
115L87.9Confident91.4Very high125 Ų12535 Ų3565%0.65420%0.198SC*.Hα-helixtrans-68.7-34.6-178.2-65.6177.4000112.4V118 F119L115-V118 PolarHBondContact O-N 3.33Å; L115-F119 HydrophobicContact CB-CE2 4.25Å; L115-F119 HydrophobicContact CB-CZ 4.45Å; L115-F119 WeakPolarHBondContact O-CB 3.11Å; L115-F119 WeakPolarHBondContact O-CD2 3.21Å; L115-F119 VanDerWaalsContact O-CG 3.23Å; L115-F119 WeakPolarHBondContact O-CG 3.36Å; L115-F119 PolarHBondContact O-N 2.89Å
116E88.6Confident91Very high77 Ų7736.3 Ų36.336%0.3622%0.221SC..Hα-helixtrans-63.8-43.9178.9-172.5175.7-177.400111.8A88 G114 V118 F119 L120A88-E116 WeakPolarHBondContact CA-OE1 3.48Å; A88-E116 WeakPolarHBondContact CA-OE2 3.44Å; A88-E116 VanDerWaalsContact CB-OE1 3.25Å; A88-E116 WeakPolarHBondContact CB-OE1 3.38Å; A88-E116 WeakPolarHBondContact CB-OE2 3.49Å; A88-E116 VanDerWaalsContact O-OE2 3.08Å; G114-E116 VanDerWaalsContact C-N 3.35Å; E116-V118 PolarHBondContact O-N 3.24Å; E116-F119 PolarHBondContact O-N 3.13Å; E116-L120 VanDerWaalsContact O-CB 3.25Å; E116-L120 WeakPolarHBondContact O-CB 3.33Å; E116-L120 PolarHBondContact O-N 2.77Å
117G90.9Very high90.7Very high0 Ų040.6 Ų40.60%024%0.242CC..Hα-helixtrans-62-43.5175.300000112.4T112 S121T112-G117 WeakPolarHBondContact CG2-O 3.27Å; G117-S121 WeakPolarHBondContact O-CB 3.46Å; G117-S121 PolarHBondContact O-N 2.95Å; G117-S121 PolarHBondContact O-OG 2.9Å; G117-S121 VanDerWaalsContact O-OG 3.09Å
118V91.5Very high90.4Very high35 Ų3542.5 Ų42.521%0.21225%0.249CC..Hα-helixtrans-61.2-50.8176.5172.40000111.1T112 G114 L115 E116 L120 S121 W122T112-V118 WeakPolarHBondContact OG1-CG2 3.49Å; G114-V118 WeakPolarHBondContact O-CG2 3.38Å; G114-V118 PolarHBondContact O-N 3.1Å; L115-V118 PolarHBondContact O-N 3.33Å; E116-V118 PolarHBondContact O-N 3.24Å; V118-L120 PolarHBondContact O-N 3.48Å; V118-S121 PolarHBondContact O-N 3.32Å; V118-W122 HydrophobicContact CG1-CD2 4.17Å; V118-W122 HydrophobicContact CG1-CZ2 3.83Å; V118-W122 PolarHBondContact O-N 3.48Å
119F91Very high89.9Confident82 Ų8245.6 Ų45.636%0.3627%0.266SS..Hα-helixtrans-64.1-43-179.1-66.6-18.5000111.9L115 E116 S121 W122 I123 L158L115-F119 HydrophobicContact CB-CE2 4.25Å; L115-F119 HydrophobicContact CB-CZ 4.45Å; L115-F119 WeakPolarHBondContact O-CB 3.11Å; L115-F119 WeakPolarHBondContact O-CD2 3.21Å; L115-F119 VanDerWaalsContact O-CG 3.23Å; L115-F119 WeakPolarHBondContact O-CG 3.36Å; L115-F119 PolarHBondContact O-N 2.89Å; E116-F119 PolarHBondContact O-N 3.13Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 3.35Å; F119-W122 HydrophobicContact CD1-CE3 4.42Å; F119-W122 PolarHBondContact O-N 2.97Å; F119-I123 WeakPolarHBondContact O-CD1 3.29Å; F119-I123 WeakPolarHBondContact O-CG1 3.18Å; F119-I123 PolarHBondContact O-N 3.38Å; F119-L158 HydrophobicContact CB-CD1 4.48Å; F119-L158 HydrophobicContact CD1-CD1 4.04Å; F119-L158 HydrophobicContact CG-CD1 4.4Å; F119-L158 HydrophobicContact CG-CD2 4.31Å
120L91.2Very high89.6Confident29 Ų2945.2 Ų45.215%0.15227%0.265CS..Hα-helixtrans-59.3-45.3176.7-173.159.2000110.3L20 Q23 V24 E116 V118 W122 I123 T124L20-L120 HydrophobicContact CB-CD2 3.96Å; L20-L120 HydrophobicContact CD2-CD2 4.08Å; Q23-L120 HydrophobicContact CB-CD2 3.84Å; Q23-L120 HydrophobicContact CB-CG 3.85Å; V24-L120 HydrophobicContact CB-CD1 4.24Å; V24-L120 HydrophobicContact CG1-CD1 4.13Å; V24-L120 HydrophobicContact CG1-CD2 4.1Å; E116-L120 VanDerWaalsContact O-CB 3.25Å; E116-L120 WeakPolarHBondContact O-CB 3.33Å; E116-L120 PolarHBondContact O-N 2.77Å; V118-L120 PolarHBondContact O-N 3.48Å; L120-W122 PolarHBondContact O-N 2.89Å; L120-I123 PolarHBondContact O-N 3.41Å; L120-T124 HydrophobicContact CD1-CG2 4.03Å; L120-T124 WeakPolarHBondContact O-CG2 3.34Å; L120-T124 PolarHBondContact O-N 2.86Å; L120-T124 PolarHBondContact O-OG1 3.41Å
121S92.1Very high89.1Confident2 Ų245.1 Ų45.11%0.01426%0.264CS..Hα-helixtrans-63.5-37.8177-65.40000113.8Q23 T112 G117 V118 F119 T124 A125Q23-S121 PolarHBondContact NE2-OG 3.18Å; Q23-S121 PolarHBondContact OE1-OG 3.42Å; T112-S121 WeakPolarHBondContact CG2-OG 3.3Å; G117-S121 WeakPolarHBondContact O-CB 3.46Å; G117-S121 PolarHBondContact O-N 2.95Å; G117-S121 PolarHBondContact O-OG 2.9Å; G117-S121 VanDerWaalsContact O-OG 3.09Å; V118-S121 PolarHBondContact O-N 3.32Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 3.35Å; S121-T124 PolarHBondContact O-N 3.47Å; S121-A125 WeakPolarHBondContact O-CA 3.46Å; S121-A125 WeakPolarHBondContact O-CB 3.36Å; S121-A125 PolarHBondContact O-N 3.06Å
122W91.1Very high88.6Confident40 Ų4046.6 Ų46.615%0.15228%0.275CS..Hα-helixtrans-64.6-40.8173.3-66.80.9000111.9V118 F119 L120 T124 S132 V150 E151 A154 L158V118-W122 HydrophobicContact CG1-CD2 4.17Å; V118-W122 HydrophobicContact CG1-CZ2 3.83Å; V118-W122 PolarHBondContact O-N 3.48Å; F119-W122 HydrophobicContact CD1-CE3 4.42Å; F119-W122 PolarHBondContact O-N 2.97Å; L120-W122 PolarHBondContact O-N 2.89Å; W122-T124 VanDerWaalsContact C-N 3.29Å; W122-T124 PolarHBondContact O-N 3.4Å; W122-S132 PolarHBondContact NE1-OG 3.28Å; W122-V150 HydrophobicContact CH2-CG1 4.26Å; W122-E151 HydrophobicContact CD2-CG 4.05Å; W122-E151 HydrophobicContact CG-CG 4.19Å; W122-E151 HydrophobicContact CZ2-CG 4.05Å; W122-E151 PolarHBondContact NE1-OE1 3.42Å; W122-A154 HydrophobicContact CE3-CB 3.55Å; W122-A154 HydrophobicContact CZ3-CB 3.46Å; W122-A154 VanDerWaalsContact CZ3-CB 3.46Å; W122-L158 HydrophobicContact CB-CD1 4.42Å; W122-L158 HydrophobicContact CE3-CD1 3.69Å; W122-L158 HydrophobicContact CZ3-CD1 4.43Å
123I90Very high88.3Confident30 Ų3047.6 Ų47.615%0.15428%0.281CS..Hα-helixtrans-68.1-30.1179.4-64.5161.7000111.9F119 L120 L158 R159F119-I123 WeakPolarHBondContact O-CD1 3.29Å; F119-I123 WeakPolarHBondContact O-CG1 3.18Å; F119-I123 PolarHBondContact O-N 3.38Å; L120-I123 PolarHBondContact O-N 3.41Å; I123-L158 HydrophobicContact CD1-CB 3.9Å; I123-L158 WeakPolarHBondContact CD1-O 3.13Å; I123-L158 HydrophobicContact CG1-CB 3.53Å; I123-R159 PolarHBondContact O-NH1 3.41Å
124T89.3Confident88.2Confident26 Ų2650.8 Ų50.816%0.1629%0.291CS..Hα-helixtrans-110.16.4-173.664.60000114Q23 R40 L120 S121 W122 G126Q23-T124 HydrophobicContact CB-CG2 4.24Å; Q23-T124 VanDerWaalsContact O-CG2 3.27Å; Q23-T124 WeakPolarHBondContact O-CG2 3.46Å; Q23-T124 PolarHBondContact OE1-OG1 3.4Å; R40-T124 PolarHBondContact NH1-O 3.06Å; L120-T124 HydrophobicContact CD1-CG2 4.03Å; L120-T124 WeakPolarHBondContact O-CG2 3.34Å; L120-T124 PolarHBondContact O-N 2.86Å; L120-T124 PolarHBondContact O-OG1 3.41Å; S121-T124 PolarHBondContact O-N 3.47Å; W122-T124 VanDerWaalsContact C-N 3.29Å; W122-T124 PolarHBondContact O-N 3.4Å; T124-G126 VanDerWaalsContact C-N 3.34Å; T124-G126 PolarHBondContact O-N 3.17Å
125A86.4Confident88.1Confident18 Ų1849.9 Ų49.915%0.14928%0.276CS..  trans-57.5-46.2-178.700000111.1S121 I127 F128 V131S121-A125 WeakPolarHBondContact O-CA 3.46Å; S121-A125 WeakPolarHBondContact O-CB 3.36Å; S121-A125 PolarHBondContact O-N 3.06Å; A125-I127 PolarHBondContact O-N 3.48Å; A125-F128 HydrophobicContact CB-CB 4.34Å; A125-F128 WeakPolarHBondContact O-CB 3.42Å; A125-V131 HydrophobicContact CB-CG2 4.32Å
126G84.9Confident88Confident74 Ų7445.8 Ų45.876%0.76325%0.251SS*.SBendtrans63.4-128.4-175.700000110.9T124 F128T124-G126 VanDerWaalsContact C-N 3.34Å; T124-G126 PolarHBondContact O-N 3.17Å; G126-F128 PolarHBondContact O-N 3.1Å
127I84.8Confident87.8Confident182 Ų18244.9 Ų44.993%0.93325%0.245SC*.SBendtrans-92.182.9171.6-53.6175.1000107.4A125A125-I127 PolarHBondContact O-N 3.48Å
128F84.7Confident87.4Confident45 Ų4552.8 Ų52.820%0.19729%0.286CS..  trans-139.7156.7-178.5-161.2-103.8000110.8E44 L109 I110 A125 G126 V131E44-F128 HydrophobicContact CB-CE2 4.35Å; E44-F128 HydrophobicContact CG-CD2 4.39Å; E44-F128 HydrophobicContact CG-CE2 3.49Å; E44-F128 VanDerWaalsContact CG-CE2 3.49Å; E44-F128 HydrophobicContact CG-CZ 4.13Å; E44-F128 WeakPolarHBondContact OE1-CE2 3.16Å; L109-F128 HydrophobicContact CD2-CE1 4.19Å; L109-F128 HydrophobicContact CD2-CE2 4.07Å; L109-F128 HydrophobicContact CD2-CZ 3.38Å; L109-F128 HydrophobicContact CG-CZ 3.85Å; I110-F128 HydrophobicContact CD1-CD1 4.45Å; I110-F128 HydrophobicContact CD1-CE1 3.55Å; I110-F128 HydrophobicContact CD1-CZ 3.68Å; I110-F128 HydrophobicContact CG1-CD1 4.19Å; I110-F128 HydrophobicContact CG1-CE1 3.28Å; I110-F128 HydrophobicContact CG1-CZ 3.86Å; A125-F128 HydrophobicContact CB-CB 4.34Å; A125-F128 WeakPolarHBondContact O-CB 3.42Å; G126-F128 PolarHBondContact O-N 3.1Å; F128-V131 HydrophobicContact CD1-CG2 4.46Å
129L84.1Confident87.2Confident85 Ų8555.2 Ų55.245%0.44531%0.305SS..  trans-64.5156.4173.9-73.4167000110.3V131 C135L129-V131 PolarHBondContact O-N 3.02Å; L129-V131 VanDerWaalsContact O-N 3.1Å; L129-C135 HydrophobicContact CB-CB 4.32Å; L129-C135 HydrophobicContact CD1-CB 4.04Å; L129-C135 HydrophobicContact CD2-CB 4.11Å; L129-C135 HydrophobicContact CG-CB 4.39Å
130P86.7Confident87Confident16 Ų1652 Ų5210%0.10429%0.291CS..  trans-50.3121.3176.9-27.534.5000111.4S132 V133 G144 F147 A148 E151P130-S132 PolarHBondContact O-N 2.81Å; P130-V133 HydrophobicContact CB-CG2 3.91Å; P130-G144 VanDerWaalsContact CG-O 3.23Å; P130-G144 WeakPolarHBondContact CG-O 3.31Å; P130-F147 HydrophobicContact CB-CB 4.05Å; P130-A148 HydrophobicContact CG-CB 3.74Å; P130-E151 WeakPolarHBondContact CA-OE2 3.32Å
131V85.2Confident86.9Confident4 Ų456.9 Ų56.92%0.02431%0.312CS..THydrogen-bonded Turntrans-66.4-32.5-172.3178.20000110.3K108 I110 T112 A125 F128 L129 V133 E151K108-V131 WeakPolarHBondContact CE-O 3.32Å; I110-V131 HydrophobicContact CB-CG1 3.74Å; I110-V131 HydrophobicContact CG1-CG1 4.26Å; I110-V131 HydrophobicContact CG2-CG1 3.44Å; I110-V131 VanDerWaalsContact CG2-CG1 3.44Å; T112-V131 HydrophobicContact CG2-CG1 4.5Å; A125-V131 HydrophobicContact CB-CG2 4.32Å; F128-V131 HydrophobicContact CD1-CG2 4.46Å; L129-V131 PolarHBondContact O-N 3.02Å; L129-V131 VanDerWaalsContact O-N 3.1Å; V131-V133 PolarHBondContact O-N 2.79Å; V131-E151 PolarHBondContact N-OE1 3.31Å; V131-E151 PolarHBondContact N-OE2 2.97Å
132S85.9Confident86.9Confident32 Ų3262.1 Ų62.122%0.22434%0.338CS..THydrogen-bonded Turntrans-80.4-15.1-166.5-49.70000114.1W122 P130 F147 E151W122-S132 PolarHBondContact NE1-OG 3.28Å; P130-S132 PolarHBondContact O-N 2.81Å; S132-F147 VanDerWaalsContact CB-CD1 3.46Å; S132-E151 VanDerWaalsContact CB-OE1 3.29Å; S132-E151 WeakPolarHBondContact CB-OE1 3.28Å; S132-E151 PolarHBondContact N-OE1 2.97Å; S132-E151 PolarHBondContact OG-OE1 2.87Å
133V87.2Confident86.9Confident28 Ų2862.5 Ų62.517%0.1735%0.346CS..SBendtrans-135.4153.6-173.5-70.10000112P130 V131 F147P130-V133 HydrophobicContact CB-CG2 3.91Å; V131-V133 PolarHBondContact O-N 2.79Å; V133-F147 HydrophobicContact CB-CD2 4.42Å; V133-F147 HydrophobicContact CG1-CB 4.39Å; V133-F147 HydrophobicContact CG1-CD1 4.21Å; V133-F147 HydrophobicContact CG1-CD2 3.34Å; V133-F147 HydrophobicContact CG1-CE1 4.33Å; V133-F147 HydrophobicContact CG1-CE2 3.49Å; V133-F147 VanDerWaalsContact CG1-CE2 3.49Å; V133-F147 HydrophobicContact CG1-CG 3.72Å; V133-F147 HydrophobicContact CG1-CZ 3.98Å; V133-F147 HydrophobicContact CG2-CB 3.88Å; V133-F147 HydrophobicContact CG2-CD2 4.19Å; V133-F147 HydrophobicContact CG2-CG 4.14Å
134R89.1Confident87Confident79 Ų7961.5 Ų61.530%0.29834%0.343SS..  trans-64138166.2-178.4-178.569.9-159.52.2108.8N106 G107 R136 D140N106-R134 WeakPolarHBondContact O-CD 3.25Å; N106-R134 PolarHBondContact O-NH1 3.36Å; G107-R134 WeakPolarHBondContact O-CG 3.49Å; R134-R136 HydrophobicContact CG-CB 4.18Å; R134-D140 WeakPolarHBondContact CG-OD2 3.16Å; R134-D140 IonicContact CZ-OD1 3.47Å; R134-D140 IonicContact CZ-OD2 3.7Å; R134-D140 IonicContact NE-OD1 3.16Å; R134-D140 PolarHBondContact NE-OD1 3.23Å; R134-D140 IonicContact NE-OD2 3.55Å; R134-D140 PolarHBondContact NE-OD2 2.87Å; R134-D140 IonicContact NH2-OD1 2.9Å; R134-D140 PolarHBondContact NH2-OD1 3.29Å; R134-D140 IonicContact NH2-OD2 2.69Å; R134-D140 VanDerWaalsContact O-CB 3.3Å; R134-D140 WeakPolarHBondContact O-CB 3.41Å
135C87.2Confident87.2Confident39 Ų3964.1 Ų64.126%0.26436%0.355SS..  trans-134.353.5177.2-68.50000110.6L129L129-C135 HydrophobicContact CB-CB 4.32Å; L129-C135 HydrophobicContact CD1-CB 4.04Å; L129-C135 HydrophobicContact CD2-CB 4.11Å; L129-C135 HydrophobicContact CG-CB 4.39Å
136R85.4Confident87.5Confident38 Ų3867.9 Ų67.914%0.14337%0.372CS..SBendtrans-105-39.6-175.8-166.9-178.9-166.5108-10.6112.9D47 G51 G54 P55 F56 R134 D140D47-R136 IonicContact OD1-CZ 3.62Å; D47-R136 IonicContact OD1-NH1 2.99Å; D47-R136 PolarHBondContact OD1-NH1 2.83Å; G51-R136 PolarHBondContact O-NH2 3.17Å; G54-R136 PolarHBondContact O-NH2 3.35Å; P55-R136 PolarHBondContact O-NH1 3.45Å; P55-R136 PolarHBondContact O-NH2 3.1Å; F56-R136 HydrophobicContact CE1-CB 4.34Å; F56-R136 HydrophobicContact CE1-CG 4.38Å; R134-R136 HydrophobicContact CG-CB 4.18Å; R136-D140 PolarHBondContact N-OD2 2.56Å
137Y85.8Confident87.8Confident58 Ų5868 Ų6823%0.22735%0.351CS..SBendtrans-107.2163.2-175.7-58.5-61.8000111.8H52 F56 S139 D140H52-Y137 HydrophobicContact CB-CE1 4.4Å; F56-Y137 HydrophobicContact CE1-CE2 4.11Å; F56-Y137 AromaticContact CZ-CE2 3.73Å; F56-Y137 HydrophobicContact CZ-CE2 3.73Å; F56-Y137 AromaticContact CZ-CZ 3.9Å; F56-Y137 VanDerWaalsContact CZ-OH 3.31Å; F56-Y137 WeakPolarHBondContact CZ-OH 3.39Å; Y137-S139 PolarHBondContact O-N 2.99Å; Y137-D140 PolarHBondContact N-OD2 2.71Å; Y137-D140 WeakPolarHBondContact O-CA 3.27Å; Y137-D140 VanDerWaalsContact O-CB 3.27Å; Y137-D140 WeakPolarHBondContact O-CB 3.14Å; Y137-D140 PolarHBondContact O-N 2.77Å
138L82.7Confident88.2Confident166 Ų16660.6 Ų60.687%0.86932%0.318SS*.G310 helixtrans-58.7-30.5174.4-71.4173.2000112.7D140 F141L138-D140 PolarHBondContact O-N 2.9Å; L138-F141 VanDerWaalsContact O-CB 3.23Å; L138-F141 WeakPolarHBondContact O-CB 3.4Å; L138-F141 PolarHBondContact O-N 3.35Å; L138-F141 VanDerWaalsContact O-N 3.16Å
139S86.2Confident88.5Confident87 Ų8761.7 Ų61.761%0.60833%0.33SS*.G310 helixtrans-60.4-25173.256.40000113.2Y137 F141Y137-S139 PolarHBondContact O-N 2.99Å; S139-F141 VanDerWaalsContact C-N 3.29Å
140D87.6Confident88.9Confident13 Ų1360.9 Ų60.97%0.0733%0.329CS..G310 helixtrans-86.6-0.9-177.4-53.8-25.3000112.1R134 R136 Y137 L138 P143 G144R134-D140 WeakPolarHBondContact CG-OD2 3.16Å; R134-D140 IonicContact CZ-OD1 3.47Å; R134-D140 IonicContact CZ-OD2 3.7Å; R134-D140 IonicContact NE-OD1 3.16Å; R134-D140 PolarHBondContact NE-OD1 3.23Å; R134-D140 IonicContact NE-OD2 3.55Å; R134-D140 PolarHBondContact NE-OD2 2.87Å; R134-D140 IonicContact NH2-OD1 2.9Å; R134-D140 PolarHBondContact NH2-OD1 3.29Å; R134-D140 IonicContact NH2-OD2 2.69Å; R134-D140 VanDerWaalsContact O-CB 3.3Å; R134-D140 WeakPolarHBondContact O-CB 3.41Å; R136-D140 PolarHBondContact N-OD2 2.56Å; Y137-D140 PolarHBondContact N-OD2 2.71Å; Y137-D140 WeakPolarHBondContact O-CA 3.27Å; Y137-D140 VanDerWaalsContact O-CB 3.27Å; Y137-D140 WeakPolarHBondContact O-CB 3.14Å; Y137-D140 PolarHBondContact O-N 2.77Å; L138-D140 PolarHBondContact O-N 2.9Å; D140-P143 WeakPolarHBondContact O-CD 3.25Å; D140-P143 WeakPolarHBondContact O-CG 3.46Å; D140-G144 WeakPolarHBondContact O-CA 3.29Å; D140-G144 PolarHBondContact O-N 3.48Å
141F89.2Confident89.2Confident132 Ų13260.9 Ų60.958%0.57933%0.327SS*.Hα-helixtrans-65.6-46.9-173.6-171.3-104.6000113.2L138 S139 G144 I145L138-F141 VanDerWaalsContact O-CB 3.23Å; L138-F141 WeakPolarHBondContact O-CB 3.4Å; L138-F141 PolarHBondContact O-N 3.35Å; L138-F141 VanDerWaalsContact O-N 3.16Å; S139-F141 VanDerWaalsContact C-N 3.29Å; F141-G144 PolarHBondContact O-N 3.06Å; F141-I145 HydrophobicContact CD1-CD1 3.77Å; F141-I145 HydrophobicContact CE1-CD1 3.27Å; F141-I145 HydrophobicContact CE1-CG1 4.39Å; F141-I145 HydrophobicContact CE2-CD1 4.28Å; F141-I145 HydrophobicContact CG-CD1 4.47Å; F141-I145 HydrophobicContact CZ-CD1 3.57Å; F141-I145 HydrophobicContact CZ-CG1 4.46Å; F141-I145 WeakPolarHBondContact O-CG1 3.36Å; F141-I145 PolarHBondContact O-N 3.01Å
142I91.9Very high89.4Confident112 Ų11266.2 Ų66.257%0.57435%0.354SS*.Hα-helixtrans-64.2-53.5178.6-60.4-61.1000112.1G144 I145 I146I142-G144 PolarHBondContact O-N 2.71Å; I142-I145 PolarHBondContact O-N 3.17Å; I142-I146 HydrophobicContact CG2-CD1 3.9Å; I142-I146 WeakPolarHBondContact O-CG1 3.46Å; I142-I146 PolarHBondContact O-N 3.37Å; I142-I146 VanDerWaalsContact O-N 3.08Å
143P91.2Very high89.7Confident49 Ų4971.1 Ų71.132%0.31838%0.378SS..Hα-helixtrans-61.1-37175.322.7-31.3000111.3D140 I145 I146 F147D140-P143 WeakPolarHBondContact O-CD 3.25Å; D140-P143 WeakPolarHBondContact O-CG 3.46Å; P143-I145 PolarHBondContact O-N 3.03Å; P143-I146 PolarHBondContact O-N 3.01Å; P143-F147 WeakPolarHBondContact O-CD2 3.48Å; P143-F147 PolarHBondContact O-N 3.17Å
144G91.9Very high89.8Confident8 Ų871 Ų718%0.08238%0.379CS..Hα-helixtrans-54.3-51.2173.200000112.6P130 D140 F141 I142 I146 A148P130-G144 VanDerWaalsContact CG-O 3.23Å; P130-G144 WeakPolarHBondContact CG-O 3.31Å; D140-G144 WeakPolarHBondContact O-CA 3.29Å; D140-G144 PolarHBondContact O-N 3.48Å; F141-G144 PolarHBondContact O-N 3.06Å; I142-G144 PolarHBondContact O-N 2.71Å; G144-I146 PolarHBondContact O-N 3.32Å; G144-A148 VanDerWaalsContact O-CB 3.26Å; G144-A148 WeakPolarHBondContact O-CB 3.5Å; G144-A148 PolarHBondContact O-N 3.39Å
145I92.3Very high89.7Confident82 Ų8268.5 Ų68.542%0.42138%0.375SS..Hα-helixtrans-62.4-45.2178.3-71.9173.1000111.8F141 I142 P143 F147 A148 C149F141-I145 HydrophobicContact CD1-CD1 3.77Å; F141-I145 HydrophobicContact CE1-CD1 3.27Å; F141-I145 HydrophobicContact CE1-CG1 4.39Å; F141-I145 HydrophobicContact CE2-CD1 4.28Å; F141-I145 HydrophobicContact CG-CD1 4.47Å; F141-I145 HydrophobicContact CZ-CD1 3.57Å; F141-I145 HydrophobicContact CZ-CG1 4.46Å; F141-I145 WeakPolarHBondContact O-CG1 3.36Å; F141-I145 PolarHBondContact O-N 3.01Å; I142-I145 PolarHBondContact O-N 3.17Å; P143-I145 PolarHBondContact O-N 3.03Å; I145-F147 PolarHBondContact O-N 3.31Å; I145-A148 WeakPolarHBondContact O-CB 3.2Å; I145-A148 PolarHBondContact O-N 3.48Å; I145-C149 PolarHBondContact O-N 2.99Å; I145-C149 PolarHBondContact O-SG 3.4Å; I145-C149 VanDerWaalsContact O-SG 3.4Å
146I93.5Very high89.8Confident96 Ų9671.9 Ų71.949%0.49240%0.395SS..Hα-helixtrans-60.4-49.9-178.1-67.5168.2000110.2I142 P143 G144 C149 V150I142-I146 HydrophobicContact CG2-CD1 3.9Å; I142-I146 WeakPolarHBondContact O-CG1 3.46Å; I142-I146 PolarHBondContact O-N 3.37Å; I142-I146 VanDerWaalsContact O-N 3.08Å; P143-I146 PolarHBondContact O-N 3.01Å; G144-I146 PolarHBondContact O-N 3.32Å; I146-C149 PolarHBondContact O-N 3.28Å; I146-V150 WeakPolarHBondContact O-CG2 3.18Å; I146-V150 PolarHBondContact O-N 3.45Å; I146-V150 VanDerWaalsContact O-N 3.1Å
147F91.8Very high90.1Very high76 Ų7674 Ų7433%0.33341%0.414SS..Hα-helixtrans-69.4-33.6179.2-81.9-90.1000112.1P130 S132 V133 P143 I145 C149 V150 E151P130-F147 HydrophobicContact CB-CB 4.05Å; S132-F147 VanDerWaalsContact CB-CD1 3.46Å; V133-F147 HydrophobicContact CB-CD2 4.42Å; V133-F147 HydrophobicContact CG1-CB 4.39Å; V133-F147 HydrophobicContact CG1-CD1 4.21Å; V133-F147 HydrophobicContact CG1-CD2 3.34Å; V133-F147 HydrophobicContact CG1-CE1 4.33Å; V133-F147 HydrophobicContact CG1-CE2 3.49Å; V133-F147 VanDerWaalsContact CG1-CE2 3.49Å; V133-F147 HydrophobicContact CG1-CG 3.72Å; V133-F147 HydrophobicContact CG1-CZ 3.98Å; V133-F147 HydrophobicContact CG2-CB 3.88Å; V133-F147 HydrophobicContact CG2-CD2 4.19Å; V133-F147 HydrophobicContact CG2-CG 4.14Å; P143-F147 WeakPolarHBondContact O-CD2 3.48Å; P143-F147 PolarHBondContact O-N 3.17Å; I145-F147 PolarHBondContact O-N 3.31Å; F147-C149 VanDerWaalsContact C-N 3.33Å; F147-C149 PolarHBondContact O-N 3.23Å; F147-V150 PolarHBondContact O-N 3.49Å; F147-E151 VanDerWaalsContact O-CB 3.3Å; F147-E151 WeakPolarHBondContact O-CB 3.17Å; F147-E151 WeakPolarHBondContact O-CG 3.48Å; F147-E151 PolarHBondContact O-N 2.95Å
148A91.9Very high90.4Very high28 Ų2872.8 Ų72.823%0.23141%0.411CS..Hα-helixtrans-56.3-48171.200000111.2P130 G144 I145 V150 E151 I152P130-A148 HydrophobicContact CG-CB 3.74Å; G144-A148 VanDerWaalsContact O-CB 3.26Å; G144-A148 WeakPolarHBondContact O-CB 3.5Å; G144-A148 PolarHBondContact O-N 3.39Å; I145-A148 WeakPolarHBondContact O-CB 3.2Å; I145-A148 PolarHBondContact O-N 3.48Å; A148-V150 PolarHBondContact O-N 3.26Å; A148-E151 PolarHBondContact O-N 3.25Å; A148-I152 WeakPolarHBondContact O-CB 3.05Å; A148-I152 WeakPolarHBondContact O-CD1 3.25Å; A148-I152 WeakPolarHBondContact O-CG1 3.39Å; A148-I152 PolarHBondContact O-N 3.22Å
149C92.8Very high90.8Very high68 Ų6871 Ų7146%0.45939%0.393SS..Hα-helixtrans-62.7-43.9178.5-68.70000112.2I145 I146 F147 I152 L153I145-C149 PolarHBondContact O-N 2.99Å; I145-C149 PolarHBondContact O-SG 3.4Å; I145-C149 VanDerWaalsContact O-SG 3.4Å; I146-C149 PolarHBondContact O-N 3.28Å; F147-C149 VanDerWaalsContact C-N 3.33Å; F147-C149 PolarHBondContact O-N 3.23Å; C149-I152 PolarHBondContact O-N 2.78Å; C149-L153 WeakPolarHBondContact O-CB 3.37Å; C149-L153 VanDerWaalsContact O-CG 3.25Å; C149-L153 WeakPolarHBondContact O-CG 3.39Å; C149-L153 PolarHBondContact O-N 2.87Å
150V92.1Very high91.1Very high68 Ų6869.6 Ų69.641%0.41239%0.386SS..Hα-helixtrans-61.7-47.7177.2172.40000111W122 I146 F147 A148 L153 A154W122-V150 HydrophobicContact CH2-CG1 4.26Å; I146-V150 WeakPolarHBondContact O-CG2 3.18Å; I146-V150 PolarHBondContact O-N 3.45Å; I146-V150 VanDerWaalsContact O-N 3.1Å; F147-V150 PolarHBondContact O-N 3.49Å; A148-V150 PolarHBondContact O-N 3.26Å; V150-L153 PolarHBondContact O-N 3.23Å; V150-A154 WeakPolarHBondContact O-CB 3.49Å; V150-A154 PolarHBondContact O-N 3.46Å
151E92Very high91.3Very high15 Ų1573.6 Ų73.67%0.0741%0.411CS..Hα-helixtrans-63.2-43.1-179.8-71.5-177.3-165.400111.2W122 P130 V131 S132 F147 A148 L153 A154 A155W122-E151 HydrophobicContact CD2-CG 4.05Å; W122-E151 HydrophobicContact CG-CG 4.19Å; W122-E151 HydrophobicContact CZ2-CG 4.05Å; W122-E151 PolarHBondContact NE1-OE1 3.42Å; P130-E151 WeakPolarHBondContact CA-OE2 3.32Å; V131-E151 PolarHBondContact N-OE1 3.31Å; V131-E151 PolarHBondContact N-OE2 2.97Å; S132-E151 VanDerWaalsContact CB-OE1 3.29Å; S132-E151 WeakPolarHBondContact CB-OE1 3.28Å; S132-E151 PolarHBondContact N-OE1 2.97Å; S132-E151 PolarHBondContact OG-OE1 2.87Å; F147-E151 VanDerWaalsContact O-CB 3.3Å; F147-E151 WeakPolarHBondContact O-CB 3.17Å; F147-E151 WeakPolarHBondContact O-CG 3.48Å; F147-E151 PolarHBondContact O-N 2.95Å; A148-E151 PolarHBondContact O-N 3.25Å; E151-L153 PolarHBondContact O-N 3.48Å; E151-A154 PolarHBondContact O-N 3.04Å; E151-A155 WeakPolarHBondContact O-CA 3.2Å; E151-A155 WeakPolarHBondContact O-CB 3.31Å; E151-A155 PolarHBondContact O-N 2.94Å
152I90.3Very high91.5Very high116 Ų11668.1 Ų68.160%0.59539%0.392SS*.Hα-helixtrans-61.1-45.7176.7-71.3164.1000111.5A148 C149 A154 A155A148-I152 WeakPolarHBondContact O-CB 3.05Å; A148-I152 WeakPolarHBondContact O-CD1 3.25Å; A148-I152 WeakPolarHBondContact O-CG1 3.39Å; A148-I152 PolarHBondContact O-N 3.22Å; C149-I152 PolarHBondContact O-N 2.78Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 PolarHBondContact O-N 3.25Å; I152-A155 PolarHBondContact O-N 2.98Å
153L91.5Very high91.6Very high136 Ų13666.6 Ų66.671%0.71238%0.384SS*.Hα-helixtrans-64.6-39179.3-71.7171.4000111.7C149 V150 E151 P157C149-L153 WeakPolarHBondContact O-CB 3.37Å; C149-L153 VanDerWaalsContact O-CG 3.25Å; C149-L153 WeakPolarHBondContact O-CG 3.39Å; C149-L153 PolarHBondContact O-N 2.87Å; V150-L153 PolarHBondContact O-N 3.23Å; E151-L153 PolarHBondContact O-N 3.48Å; L153-P157 WeakPolarHBondContact O-CD 3.36Å
154A89.6Confident91.7Very high25 Ų2569.1 Ų69.121%0.20740%0.398CS..Hα-helixtrans-77.5-28.7178.100000113.2W122 V150 E151 I152 T156 P157 L158W122-A154 HydrophobicContact CE3-CB 3.55Å; W122-A154 HydrophobicContact CZ3-CB 3.46Å; W122-A154 VanDerWaalsContact CZ3-CB 3.46Å; V150-A154 WeakPolarHBondContact O-CB 3.49Å; V150-A154 PolarHBondContact O-N 3.46Å; E151-A154 PolarHBondContact O-N 3.04Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 PolarHBondContact O-N 3.25Å; A154-T156 PolarHBondContact O-N 3.41Å; A154-P157 WeakPolarHBondContact O-CD 3.48Å; A154-L158 HydrophobicContact CB-CD1 4.1Å; A154-L158 VanDerWaalsContact O-CB 3.29Å; A154-L158 WeakPolarHBondContact O-CB 3.44Å; A154-L158 WeakPolarHBondContact O-CD1 3.5Å; A154-L158 WeakPolarHBondContact O-CG 3.31Å; A154-L158 PolarHBondContact O-N 3.34Å; A154-L158 VanDerWaalsContact O-N 3.13Å
155A88Confident91.8Very high26 Ų2672.1 Ų72.122%0.21541%0.408CS..Hα-helixtrans-62.9-39.1-171.600000112.7E151 I152 R159E151-A155 WeakPolarHBondContact O-CA 3.2Å; E151-A155 WeakPolarHBondContact O-CB 3.31Å; E151-A155 PolarHBondContact O-N 2.94Å; I152-A155 PolarHBondContact O-N 2.98Å; A155-R159 WeakPolarHBondContact O-CB 3.21Å; A155-R159 PolarHBondContact O-N 3.28Å
156T88.7Confident91.9Very high111 Ų11169.5 Ų69.568%0.68140%0.398SS*.Hα-helixtrans-69.7-50.3-175.6-58.50000112.5A154 L158 R159 A160A154-T156 PolarHBondContact O-N 3.41Å; T156-L158 VanDerWaalsContact C-N 3.33Å; T156-L158 PolarHBondContact O-N 3.16Å; T156-R159 WeakPolarHBondContact O-CB 3.35Å; T156-R159 PolarHBondContact O-N 3.19Å; T156-A160 PolarHBondContact O-N 3Å
157P91.4Very high92Very high82 Ų8271.6 Ų71.653%0.53240%0.404SS..Hα-helixtrans-59.3-43.1172.8-24.233.8000112.7L153 A154 R159 A160 V161L153-P157 WeakPolarHBondContact O-CD 3.36Å; A154-P157 WeakPolarHBondContact O-CD 3.48Å; P157-R159 VanDerWaalsContact C-N 3.28Å; P157-R159 PolarHBondContact O-N 3.33Å; P157-A160 WeakPolarHBondContact O-CB 3.45Å; P157-A160 PolarHBondContact O-N 2.69Å; P157-A160 VanDerWaalsContact O-N 3.17Å; P157-V161 PolarHBondContact O-N 3.37Å
158L91.8Very high92.2Very high32 Ų3271.9 Ų71.917%0.16840%0.403CS..Hα-helixtrans-65.2-33.6178.4-70.6175.2000112F119 W122 I123 A154 T156 A160 V161 G162F119-L158 HydrophobicContact CB-CD1 4.48Å; F119-L158 HydrophobicContact CD1-CD1 4.04Å; F119-L158 HydrophobicContact CG-CD1 4.4Å; F119-L158 HydrophobicContact CG-CD2 4.31Å; W122-L158 HydrophobicContact CB-CD1 4.42Å; W122-L158 HydrophobicContact CE3-CD1 3.69Å; W122-L158 HydrophobicContact CZ3-CD1 4.43Å; I123-L158 HydrophobicContact CD1-CB 3.9Å; I123-L158 WeakPolarHBondContact CD1-O 3.13Å; I123-L158 HydrophobicContact CG1-CB 3.53Å; A154-L158 HydrophobicContact CB-CD1 4.1Å; A154-L158 VanDerWaalsContact O-CB 3.29Å; A154-L158 WeakPolarHBondContact O-CB 3.44Å; A154-L158 WeakPolarHBondContact O-CD1 3.5Å; A154-L158 WeakPolarHBondContact O-CG 3.31Å; A154-L158 PolarHBondContact O-N 3.34Å; A154-L158 VanDerWaalsContact O-N 3.13Å; T156-L158 VanDerWaalsContact C-N 3.33Å; T156-L158 PolarHBondContact O-N 3.16Å; L158-A160 VanDerWaalsContact C-N 3.31Å; L158-A160 PolarHBondContact O-N 2.93Å; L158-V161 WeakPolarHBondContact O-CB 3.45Å; L158-V161 PolarHBondContact O-N 3.44Å; L158-G162 PolarHBondContact O-N 3.26Å
159R91Very high92.4Very high130 Ų13071.4 Ų71.449%0.49140%0.396SS..Hα-helixtrans-64-36.8174.8-174.863.4179.2-1774.5111.7I123 A155 T156 P157 G162 I163I123-R159 PolarHBondContact O-NH1 3.41Å; A155-R159 WeakPolarHBondContact O-CB 3.21Å; A155-R159 PolarHBondContact O-N 3.28Å; T156-R159 WeakPolarHBondContact O-CB 3.35Å; T156-R159 PolarHBondContact O-N 3.19Å; P157-R159 VanDerWaalsContact C-N 3.28Å; P157-R159 PolarHBondContact O-N 3.33Å; R159-G162 PolarHBondContact O-N 2.91Å; R159-I163 HydrophobicContact CG-CD1 4.3Å; R159-I163 VanDerWaalsContact O-CG1 3.31Å; R159-I163 WeakPolarHBondContact O-CG1 3.41Å; R159-I163 PolarHBondContact O-N 3.15Å
160A92.7Very high92.5Very high56 Ų5676.4 Ų76.446%0.46341%0.405SS..Hα-helixtrans-61.5-44.5174.100000111.3T156 P157 L158 G162 I163 V164T156-A160 PolarHBondContact O-N 3Å; P157-A160 WeakPolarHBondContact O-CB 3.45Å; P157-A160 PolarHBondContact O-N 2.69Å; P157-A160 VanDerWaalsContact O-N 3.17Å; L158-A160 VanDerWaalsContact C-N 3.31Å; L158-A160 PolarHBondContact O-N 2.93Å; A160-G162 VanDerWaalsContact C-N 3.35Å; A160-G162 PolarHBondContact O-N 3.41Å; A160-I163 PolarHBondContact O-N 2.9Å; A160-V164 PolarHBondContact O-N 3.47Å; A160-V164 VanDerWaalsContact O-N 3.16Å
161V91.8Very high92.7Very high97 Ų9779.3 Ų79.359%0.58841%0.41SS*.Hα-helixtrans-60.7-44.5173.5-179.80000111.1P157 L158 I163 V164 Y165P157-V161 PolarHBondContact O-N 3.37Å; L158-V161 WeakPolarHBondContact O-CB 3.45Å; L158-V161 PolarHBondContact O-N 3.44Å; V161-I163 VanDerWaalsContact C-N 3.3Å; V161-I163 PolarHBondContact O-N 3.18Å; V161-V164 PolarHBondContact O-N 3.35Å; V161-Y165 PolarHBondContact O-N 3.16Å
162G92.7Very high92.9Very high18 Ų1879.1 Ų79.119%0.18641%0.409CS..Hα-helixtrans-61.1-34.6176.900000113.7L158 R159 A160 Y165 A166L158-G162 PolarHBondContact O-N 3.26Å; R159-G162 PolarHBondContact O-N 2.91Å; A160-G162 VanDerWaalsContact C-N 3.35Å; A160-G162 PolarHBondContact O-N 3.41Å; G162-Y165 PolarHBondContact O-N 3.45Å; G162-A166 WeakPolarHBondContact O-CB 3.4Å; G162-A166 PolarHBondContact O-N 2.9Å
163I94.4Very high93Very high80 Ų8075 Ų7541%0.4139%0.391SS..Hα-helixtrans-67.3-44.3174.5-70.5164.8000110.7R159 A160 V161 Y165 A166 F167R159-I163 HydrophobicContact CG-CD1 4.3Å; R159-I163 VanDerWaalsContact O-CG1 3.31Å; R159-I163 WeakPolarHBondContact O-CG1 3.41Å; R159-I163 PolarHBondContact O-N 3.15Å; A160-I163 PolarHBondContact O-N 2.9Å; V161-I163 VanDerWaalsContact C-N 3.3Å; V161-I163 PolarHBondContact O-N 3.18Å; I163-Y165 VanDerWaalsContact C-N 3.31Å; I163-Y165 PolarHBondContact O-N 2.96Å; I163-A166 WeakPolarHBondContact O-CB 3.36Å; I163-A166 PolarHBondContact O-N 3.34Å; I163-A166 VanDerWaalsContact O-N 3.15Å; I163-F167 HydrophobicContact CG2-CD2 3.85Å; I163-F167 HydrophobicContact CG2-CE2 3.58Å; I163-F167 VanDerWaalsContact O-CD2 3.26Å; I163-F167 WeakPolarHBondContact O-CD2 3.48Å; I163-F167 PolarHBondContact O-N 3.24Å
164V94.4Very high93.2Very high101 Ų10174.3 Ų74.361%0.61238%0.382SS*.Hα-helixtrans-59.4-45174.9175.30000110.4A160 V161 A166 F167 W168A160-V164 PolarHBondContact O-N 3.47Å; A160-V164 VanDerWaalsContact O-N 3.16Å; V161-V164 PolarHBondContact O-N 3.35Å; V164-A166 VanDerWaalsContact C-N 3.32Å; V164-A166 PolarHBondContact O-N 3.45Å; V164-F167 PolarHBondContact O-N 2.88Å; V164-W168 PolarHBondContact O-N 3.45Å
165Y92.7Very high93.4Very high72 Ų7277.9 Ų77.928%0.28239%0.393SS..Hα-helixtrans-60.5-39.6175.2-173.7-113.1000112.3T87 V161 G162 I163 F167 W168 M169T87-Y165 PolarHBondContact OG1-OH 2.98Å; V161-Y165 PolarHBondContact O-N 3.16Å; G162-Y165 PolarHBondContact O-N 3.45Å; I163-Y165 VanDerWaalsContact C-N 3.31Å; I163-Y165 PolarHBondContact O-N 2.96Å; Y165-F167 PolarHBondContact O-N 3.22Å; Y165-W168 AromaticContact CD2-CE3 3.75Å; Y165-W168 HydrophobicContact CD2-CE3 3.75Å; Y165-W168 HydrophobicContact CD2-CZ3 4.2Å; Y165-W168 AromaticContact CE2-CE3 3.49Å; Y165-W168 HydrophobicContact CE2-CE3 3.49Å; Y165-W168 VanDerWaalsContact CE2-CE3 3.49Å; Y165-W168 AromaticContact CE2-CZ3 3.45Å; Y165-W168 HydrophobicContact CE2-CZ3 3.45Å; Y165-W168 VanDerWaalsContact CE2-CZ3 3.45Å; Y165-W168 WeakPolarHBondContact O-CB 3.48Å; Y165-W168 PolarHBondContact O-N 3.01Å; Y165-M169 HydrophobicContact CD1-CE 3.69Å; Y165-M169 HydrophobicContact CD1-CG 4.37Å; Y165-M169 HydrophobicContact CD1-SD 4.09Å; Y165-M169 HydrophobicContact CE1-CE 3.72Å; Y165-M169 HydrophobicContact CE1-CG 4.02Å; Y165-M169 HydrophobicContact CE1-SD 3.52Å; Y165-M169 VanDerWaalsContact CE1-SD 3.52Å; Y165-M169 HydrophobicContact CE2-CG 4.46Å; Y165-M169 WeakPolarHBondContact O-CG 3.26Å; Y165-M169 PolarHBondContact O-N 3.43Å
166A94.3Very high93.6Very high27 Ų2781.2 Ų81.222%0.22340%0.401CS..Hα-helixtrans-66.3-34.3176.300000113.6G162 I163 V164 M169 R170G162-A166 WeakPolarHBondContact O-CB 3.4Å; G162-A166 PolarHBondContact O-N 2.9Å; I163-A166 WeakPolarHBondContact O-CB 3.36Å; I163-A166 PolarHBondContact O-N 3.34Å; I163-A166 VanDerWaalsContact O-N 3.15Å; V164-A166 VanDerWaalsContact C-N 3.32Å; V164-A166 PolarHBondContact O-N 3.45Å; A166-M169 HydrophobicContact CB-CE 4.4Å; A166-R170 WeakPolarHBondContact O-CG 3.39Å; A166-R170 PolarHBondContact O-N 3.07Å
167F96.6Very high93.4Very high139 Ų13980.3 Ų80.361%0.6139%0.392SS*.Hα-helixtrans-68.7-42.1170.9-79.5-66000111.4I163 V164 Y165 R170 Y171I163-F167 HydrophobicContact CG2-CD2 3.85Å; I163-F167 HydrophobicContact CG2-CE2 3.58Å; I163-F167 VanDerWaalsContact O-CD2 3.26Å; I163-F167 WeakPolarHBondContact O-CD2 3.48Å; I163-F167 PolarHBondContact O-N 3.24Å; V164-F167 PolarHBondContact O-N 2.88Å; Y165-F167 PolarHBondContact O-N 3.22Å; F167-R170 WeakPolarHBondContact O-CB 3.5Å; F167-R170 PolarHBondContact O-N 3.17Å; F167-Y171 PolarHBondContact O-N 2.9Å
168W95.8Very high92.1Very high83 Ų8385.4 Ų85.431%0.31441%0.409SS..Hα-helixtrans-61.1-45.517717778.5000112.2I84 T87 V164 Y165 R170 Y171 I172I84-W168 HydrophobicContact CG1-CZ3 4.42Å; T87-W168 HydrophobicContact CG2-CH2 3.38Å; T87-W168 HydrophobicContact CG2-CZ2 4.04Å; T87-W168 HydrophobicContact CG2-CZ3 3.94Å; V164-W168 PolarHBondContact O-N 3.45Å; Y165-W168 AromaticContact CD2-CE3 3.75Å; Y165-W168 HydrophobicContact CD2-CE3 3.75Å; Y165-W168 HydrophobicContact CD2-CZ3 4.2Å; Y165-W168 AromaticContact CE2-CE3 3.49Å; Y165-W168 HydrophobicContact CE2-CE3 3.49Å; Y165-W168 VanDerWaalsContact CE2-CE3 3.49Å; Y165-W168 AromaticContact CE2-CZ3 3.45Å; Y165-W168 HydrophobicContact CE2-CZ3 3.45Å; Y165-W168 VanDerWaalsContact CE2-CZ3 3.45Å; Y165-W168 WeakPolarHBondContact O-CB 3.48Å; Y165-W168 PolarHBondContact O-N 3.01Å; W168-R170 VanDerWaalsContact C-N 3.28Å; W168-R170 PolarHBondContact O-N 2.9Å; W168-Y171 WeakPolarHBondContact O-CB 3.31Å; W168-Y171 PolarHBondContact O-N 3.11Å; W168-Y171 VanDerWaalsContact O-N 3.11Å; W168-I172 HydrophobicContact CD2-CG1 4.05Å; W168-I172 HydrophobicContact CH2-CG1 4.26Å; W168-I172 HydrophobicContact CZ2-CD1 4.04Å; W168-I172 HydrophobicContact CZ2-CG1 3.74Å; W168-I172 WeakPolarHBondContact O-CG1 3.45Å; W168-I172 PolarHBondContact O-N 3.31Å
169M95.1Very high92.1Very high18 Ų1888.1 Ų88.19%0.08942%0.421CS..Hα-helixtrans-59-38.7175.4-73.2-170.3-68.800112.6V24 I84 Y165 A166 I172 S173V24-M169 HydrophobicContact CG2-CE 3.75Å; I84-M169 HydrophobicContact CD1-CB 4.08Å; I84-M169 HydrophobicContact CD1-CG 4.16Å; I84-M169 HydrophobicContact CG1-CB 4.46Å; I84-M169 HydrophobicContact CG1-CG 4.15Å; I84-M169 HydrophobicContact CG2-CG 3.8Å; I84-M169 HydrophobicContact CG2-SD 3.73Å; Y165-M169 HydrophobicContact CD1-CE 3.69Å; Y165-M169 HydrophobicContact CD1-CG 4.37Å; Y165-M169 HydrophobicContact CD1-SD 4.09Å; Y165-M169 HydrophobicContact CE1-CE 3.72Å; Y165-M169 HydrophobicContact CE1-CG 4.02Å; Y165-M169 HydrophobicContact CE1-SD 3.52Å; Y165-M169 VanDerWaalsContact CE1-SD 3.52Å; Y165-M169 HydrophobicContact CE2-CG 4.46Å; Y165-M169 WeakPolarHBondContact O-CG 3.26Å; Y165-M169 PolarHBondContact O-N 3.43Å; A166-M169 HydrophobicContact CB-CE 4.4Å; M169-I172 PolarHBondContact O-N 2.97Å; M169-S173 WeakPolarHBondContact O-CB 3.23Å; M169-S173 PolarHBondContact O-N 3.23Å
170R95.2Very high92.2Very high172 Ų17285.9 Ų85.965%0.64942%0.417SS*.Hα-helixtrans-65.4-42.3174.7-76.3-178.4170.888.7-2.6112A166 F167 W168 S173 F174A166-R170 WeakPolarHBondContact O-CG 3.39Å; A166-R170 PolarHBondContact O-N 3.07Å; F167-R170 WeakPolarHBondContact O-CB 3.5Å; F167-R170 PolarHBondContact O-N 3.17Å; W168-R170 VanDerWaalsContact C-N 3.28Å; W168-R170 PolarHBondContact O-N 2.9Å; R170-S173 PolarHBondContact O-N 2.86Å; R170-F174 WeakPolarHBondContact O-CB 3.5Å; R170-F174 PolarHBondContact O-N 3.21Å
171Y96.3Very high92.1Very high129 Ų12987.6 Ų87.651%0.50641%0.414SS..Hα-helixtrans-60.2-45.5174.7167.3-102.3000111.7F167 W168 F174 K175F167-Y171 PolarHBondContact O-N 2.9Å; W168-Y171 WeakPolarHBondContact O-CB 3.31Å; W168-Y171 PolarHBondContact O-N 3.11Å; W168-Y171 VanDerWaalsContact O-N 3.11Å; Y171-F174 PolarHBondContact O-N 2.92Å; Y171-K175 HydrophobicContact CE1-CD 4.09Å; Y171-K175 VanDerWaalsContact O-CB 3.31Å; Y171-K175 WeakPolarHBondContact O-CB 3.4Å; Y171-K175 PolarHBondContact O-N 3.34Å
172I96Very high92.2Very high11 Ų1187 Ų876%0.05640%0.404CS..Hα-helixtrans-62.9-44.4176.7-66.3-61.7000111.1A83 I84 W168 M169 F174 K175 Y176A83-I172 HydrophobicContact CB-CG2 3.79Å; I84-I172 HydrophobicContact CD1-CG2 4.28Å; I84-I172 HydrophobicContact CG1-CB 4.19Å; I84-I172 HydrophobicContact CG1-CG2 3.77Å; W168-I172 HydrophobicContact CD2-CG1 4.05Å; W168-I172 HydrophobicContact CH2-CG1 4.26Å; W168-I172 HydrophobicContact CZ2-CD1 4.04Å; W168-I172 HydrophobicContact CZ2-CG1 3.74Å; W168-I172 WeakPolarHBondContact O-CG1 3.45Å; W168-I172 PolarHBondContact O-N 3.31Å; M169-I172 PolarHBondContact O-N 2.97Å; I172-F174 VanDerWaalsContact C-N 3.26Å; I172-F174 PolarHBondContact O-N 3.24Å; I172-K175 PolarHBondContact O-N 2.75Å; I172-Y176 HydrophobicContact CD1-CE2 4.38Å; I172-Y176 HydrophobicContact CG2-CD2 3.73Å; I172-Y176 HydrophobicContact CG2-CE2 3.84Å; I172-Y176 VanDerWaalsContact O-CD2 3.3Å; I172-Y176 WeakPolarHBondContact O-CD2 3.29Å; I172-Y176 PolarHBondContact O-N 3.24Å
173S93.7Very high92.1Very high30 Ų3091.3 Ų91.321%0.2142%0.418CS..Hα-helixtrans-59.1-37.4174.8-1780000112.3Y27 M169 R170 N177Y27-S173 WeakPolarHBondContact CD2-OG 3.15Å; M169-S173 WeakPolarHBondContact O-CB 3.23Å; M169-S173 PolarHBondContact O-N 3.23Å; R170-S173 PolarHBondContact O-N 2.86Å; S173-N177 WeakPolarHBondContact O-CB 3.3Å; S173-N177 PolarHBondContact O-ND2 3.07Å
174F94.4Very high92Very high122 Ų12292.1 Ų92.154%0.53542%0.418SS..Hα-helixtrans-71-53.4177.1-177.4-99.5000110.9R170 Y171 I172 Y176 N177 E178R170-F174 WeakPolarHBondContact O-CB 3.5Å; R170-F174 PolarHBondContact O-N 3.21Å; Y171-F174 PolarHBondContact O-N 2.92Å; I172-F174 VanDerWaalsContact C-N 3.26Å; I172-F174 PolarHBondContact O-N 3.24Å; F174-Y176 PolarHBondContact O-N 3.05Å; F174-N177 PolarHBondContact O-N 3.4Å; F174-E178 HydrophobicContact CD1-CG 4.44Å; F174-E178 HydrophobicContact CE1-CG 4.11Å; F174-E178 WeakPolarHBondContact CE1-OE1 3.47Å; F174-E178 VanDerWaalsContact CE1-OE2 3.29Å; F174-E178 WeakPolarHBondContact CE1-OE2 2.83Å; F174-E178 HydrophobicContact CE2-CG 4.32Å; F174-E178 HydrophobicContact CZ-CG 4.07Å; F174-E178 WeakPolarHBondContact CZ-OE1 3.16Å; F174-E178 PolarHBondContact O-N 3.34Å
175K94.8Very high91.8Very high100 Ų10091.4 Ų91.444%0.43540%0.404SS..Hα-helixtrans-52.7-33.8-177179.5-177.8178.2-179.20114.7Y171 I172Y171-K175 HydrophobicContact CE1-CD 4.09Å; Y171-K175 VanDerWaalsContact O-CB 3.31Å; Y171-K175 WeakPolarHBondContact O-CB 3.4Å; Y171-K175 PolarHBondContact O-N 3.34Å; I172-K175 PolarHBondContact O-N 2.75Å
176Y92.8Very high91.7Very high95 Ų9592.9 Ų92.937%0.37341%0.414SS..THydrogen-bonded Turntrans-101.1-0.5-176.5-71.6-68.6000114.2V79 A80 A83 I172 F174V79-Y176 HydrophobicContact CB-CD1 4.22Å; V79-Y176 HydrophobicContact CG1-CD1 3.58Å; V79-Y176 HydrophobicContact CG1-CE1 3.56Å; V79-Y176 HydrophobicContact CG1-CG 4.17Å; A80-Y176 HydrophobicContact CB-CD2 4.29Å; A80-Y176 HydrophobicContact CB-CG 4.49Å; A83-Y176 HydrophobicContact CB-CD2 4.42Å; A83-Y176 HydrophobicContact CB-CE2 3.7Å; I172-Y176 HydrophobicContact CD1-CE2 4.38Å; I172-Y176 HydrophobicContact CG2-CD2 3.73Å; I172-Y176 HydrophobicContact CG2-CE2 3.84Å; I172-Y176 VanDerWaalsContact O-CD2 3.3Å; I172-Y176 WeakPolarHBondContact O-CD2 3.29Å; I172-Y176 PolarHBondContact O-N 3.24Å; F174-Y176 PolarHBondContact O-N 3.05Å
177N83.6Confident91.5Very high93 Ų9398.4 Ų98.450%0.49743%0.43SS..THydrogen-bonded Turntrans-111.6-3.4174.5-73.3-52.7000113.3Y27 S173 F174Y27-N177 WeakPolarHBondContact CE2-ND2 3.34Å; Y27-N177 VanDerWaalsContact CZ-ND2 3.28Å; Y27-N177 PolarHBondContact OH-ND2 3.42Å; Y27-N177 PolarHBondContact OH-OD1 2.92Å; S173-N177 WeakPolarHBondContact O-CB 3.3Å; S173-N177 PolarHBondContact O-ND2 3.07Å; F174-N177 PolarHBondContact O-N 3.4Å
178E64Low91Very high189 Ų18994.7 Ų94.788%0.88341%0.413SS*.  trans-80.10160.7-65.1-170132.800110.7F174F174-E178 HydrophobicContact CD1-CG 4.44Å; F174-E178 HydrophobicContact CE1-CG 4.11Å; F174-E178 WeakPolarHBondContact CE1-OE1 3.47Å; F174-E178 VanDerWaalsContact CE1-OE2 3.29Å; F174-E178 WeakPolarHBondContact CE1-OE2 2.83Å; F174-E178 HydrophobicContact CE2-CG 4.32Å; F174-E178 HydrophobicContact CZ-CG 4.07Å; F174-E178 WeakPolarHBondContact CZ-OE1 3.16Å; F174-E178 PolarHBondContact O-N 3.34Å

Retrieved 178 of 178 residues in 97.7 ms (Link to these results)

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