A0A096LQX9_POEFO Loading...

Synaptogyrin

AlphaFold DB , UniProt , Accession A0A096LQX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M34.2Very low44.2Very low251 Ų25195.9 Ų95.9100%1.23663%0.628SS**  0107.70-77.4166-178.300106.6
2A35.4Very low45.3Very low97 Ų9793.3 Ų93.380%0.80262%0.62SS**  trans-87.5114.4177.200000107.6N4A2-N4 PolarHBondContact O-N 3.01Å
3E39.1Very low46Very low193 Ų19390.1 Ų90.190%0.90261%0.606SS**  trans-84.392.1171.9-155-173.1151.300107.2G5E3-G5 PolarHBondContact O-N 3.19Å
4N39.9Very low46.7Very low164 Ų16489.6 Ų89.688%0.87759%0.594SS**  trans-75.971166.6-89.5-10.8000108.3A2 G6A2-N4 PolarHBondContact O-N 3.01Å; N4-G6 PolarHBondContact O-N 2.88Å
5G39Very low46.9Very low55 Ų5590.8 Ų90.857%0.56761%0.613SS**  trans-66.9109.3163.100000107.8E3 A7E3-G5 PolarHBondContact O-N 3.19Å; G5-A7 VanDerWaalsContact C-N 3.33Å; G5-A7 PolarHBondContact O-N 3.3Å
6G39.7Very low47.3Very low77 Ų7790.3 Ų90.379%0.79463%0.628SS**  trans-5697173.200000109.6N4 S8N4-G6 PolarHBondContact O-N 2.88Å; G6-S8 PolarHBondContact O-N 2.96Å
7A43.8Very low47.9Very low84 Ų8487.4 Ų87.469%0.69462%0.616SS**  trans-69.698.5176.500000107.7G5 A9G5-A7 VanDerWaalsContact C-N 3.33Å; G5-A7 PolarHBondContact O-N 3.3Å; A7-A9 PolarHBondContact O-N 2.9Å
8S50.7Low48.8Very low52 Ų5286.4 Ų86.436%0.36462%0.622SS.*  trans-51.6131.5172179.80000109.9G6 Y10 G11G6-S8 PolarHBondContact O-N 2.96Å; S8-Y10 PolarHBondContact O-N 2.89Å; S8-G11 CarbonylContact O-C 3.54Å; S8-G11 WeakPolarHBondContact O-CA 3.44Å; S8-G11 PolarHBondContact O-N 3.19Å
9A53.1Low50Low32 Ų3285.6 Ų85.626%0.26461%0.606SS.*THydrogen-bonded Turntrans-60.1-19.1-176.500000114.1A7 G11 R175 D179A7-A9 PolarHBondContact O-N 2.9Å; A9-G11 VanDerWaalsContact C-N 3.29Å; A9-R175 HydrophobicContact CB-CB 3.75Å; A9-D179 WeakPolarHBondContact CB-OD2 3.06Å; A9-D179 PolarHBondContact N-OD2 2.91Å
10Y55.6Low51.4Low16 Ų1685.8 Ų85.86%0.06360%0.599CS.*THydrogen-bonded Turntrans-885.5173.4-64.4-72.5000113.5S8 I96 R105 K106 V109 G176S8-Y10 PolarHBondContact O-N 2.89Å; Y10-I96 WeakPolarHBondContact O-CG2 3.34Å; Y10-R105 HydrophobicContact CD1-CB 4.16Å; Y10-R105 HydrophobicContact CG-CB 4.16Å; Y10-R105 PolarHBondContact O-NH1 3.49Å; Y10-K106 HydrophobicContact CE1-CB 3.97Å; Y10-K106 HydrophobicContact CE1-CG 4.44Å; Y10-K106 HydrophobicContact CE2-CB 4.48Å; Y10-V109 HydrophobicContact CD1-CG2 4.01Å; Y10-V109 HydrophobicContact CE1-CB 4.28Å; Y10-V109 HydrophobicContact CE1-CG2 4.14Å; Y10-G176 VanDerWaalsContact CE2-O 3.27Å; Y10-G176 WeakPolarHBondContact CE2-O 3.42Å; Y10-G176 VanDerWaalsContact OH-CA 3.31Å; Y10-G176 WeakPolarHBondContact OH-CA 3.45Å; Y10-G176 PolarHBondContact OH-O 2.81Å; Y10-G176 VanDerWaalsContact OH-O 3.06Å
11G56.1Low52.5Low34 Ų3487.5 Ų87.535%0.35160%0.596SS.*  trans92.2136.5-171.300000111.1S8 A9 R105S8-G11 CarbonylContact O-C 3.54Å; S8-G11 WeakPolarHBondContact O-CA 3.44Å; S8-G11 PolarHBondContact O-N 3.19Å; A9-G11 VanDerWaalsContact C-N 3.29Å; G11-R105 VanDerWaalsContact C-NH1 3.27Å; G11-R105 PolarHBondContact O-NH1 3.08Å
12A56.7Low54.5Low64 Ų6483 Ų8353%0.52957%0.566SS.*  trans-66.8140163.800000108.7L14A12-L14 PolarHBondContact O-N 3.04Å
13A55.3Low56.5Low52 Ų5285.2 Ų85.243%0.4356%0.558SS.*  trans-58.5129163.400000107.4A15 P97A13-A15 VanDerWaalsContact C-N 3.28Å; A13-A15 PolarHBondContact O-N 3.3Å; A13-P97 WeakPolarHBondContact CA-O 3.45Å
14L55Low58.3Low84 Ų8476.8 Ų76.844%0.4452%0.518SS..  trans-65.494.1175.5-80.2163000108.3A12 G16 G17 P97A12-L14 PolarHBondContact O-N 3.04Å; L14-G16 PolarHBondContact O-N 3.4Å; L14-G17 WeakPolarHBondContact CD1-O 3.48Å; L14-P97 HydrophobicContact CD1-CB 4.2Å; L14-P97 PolarHBondContact N-O 3.02Å
15A50.1Low60.2Low107 Ų10772.9 Ų72.988%0.88450%0.496SS*.SBendtrans-71.180164.500000107.9A13A13-A15 VanDerWaalsContact C-N 3.28Å; A13-A15 PolarHBondContact O-N 3.3Å
16G53.2Low62Low83 Ų8378.8 Ų78.886%0.85650%0.502SS*.SBendtrans900.9168.100000118.1L14L14-G16 PolarHBondContact O-N 3.4Å
17G58Low64.2Low40 Ų4078.9 Ų78.941%0.41248%0.481SS..PPolyproline II helixtrans-89132.4171.800000112.2L14L14-G17 WeakPolarHBondContact CD1-O 3.48Å
18G63.8Low66.3Low71 Ų7178.8 Ų78.873%0.73247%0.474SS*.PPolyproline II helixtrans-63.8154.5175.600000112.9D20G18-D20 PolarHBondContact O-N 3.49Å
19F70.8Confident68.2Low71 Ų7177.3 Ų77.331%0.31146%0.461SS..PPolyproline II helixtrans-68.7116.9175.2177.8-96.5000110.8F21 F24 I94 F98F19-F21 HydrophobicContact CD1-CB 4.23Å; F19-F21 HydrophobicContact CE1-CB 3.85Å; F19-F21 AromaticContact CE1-CD2 3.96Å; F19-F21 HydrophobicContact CE1-CD2 3.96Å; F19-F21 HydrophobicContact CE1-CG 4.39Å; F19-F21 PolarHBondContact O-N 3.31Å; F19-F24 HydrophobicContact CE1-CB 4.48Å; F19-F24 HydrophobicContact CE2-CB 4.38Å; F19-F24 HydrophobicContact CE2-CD2 4.29Å; F19-F24 HydrophobicContact CE2-CG 4.33Å; F19-F24 HydrophobicContact CZ-CB 3.81Å; F19-F24 HydrophobicContact CZ-CD1 4.1Å; F19-F24 HydrophobicContact CZ-CD2 4.11Å; F19-F24 AromaticContact CZ-CG 3.74Å; F19-F24 HydrophobicContact CZ-CG 3.74Å; F19-I94 HydrophobicContact CE2-CG2 4.26Å; F19-I94 HydrophobicContact CZ-CG1 4.24Å; F19-I94 HydrophobicContact CZ-CG2 4.25Å; F19-F98 HydrophobicContact CB-CZ 4.26Å
20D78Confident69.9Low88 Ų8875.9 Ų75.947%0.47145%0.449SS..  trans-89.492.5175.9-174.7-12.3000110.7G18 Y22 K23 F24G18-D20 PolarHBondContact O-N 3.49Å; D20-Y22 PolarHBondContact O-N 3.36Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.48Å; D20-Y22 PolarHBondContact OD1-N 2.97Å; D20-K23 HydrophobicContact CB-CB 4.04Å; D20-K23 PolarHBondContact O-N 3.47Å; D20-K23 PolarHBondContact OD1-N 3.16Å; D20-K23 WeakPolarHBondContact OD2-CB 3.43Å; D20-F24 PolarHBondContact O-N 3.34Å
21F74.7Confident71.7Confident122 Ų12279 Ų7954%0.53547%0.466SS..Hα-helixtrans-58.7-34.2178-176.8-90.5000112.5F19 F24 I25F19-F21 HydrophobicContact CD1-CB 4.23Å; F19-F21 HydrophobicContact CE1-CB 3.85Å; F19-F21 AromaticContact CE1-CD2 3.96Å; F19-F21 HydrophobicContact CE1-CD2 3.96Å; F19-F21 HydrophobicContact CE1-CG 4.39Å; F19-F21 PolarHBondContact O-N 3.31Å; F21-F24 PolarHBondContact O-N 3.34Å; F21-I25 HydrophobicContact CE1-CD1 4.01Å; F21-I25 HydrophobicContact CZ-CD1 4.06Å; F21-I25 PolarHBondContact O-N 3Å
22Y77.2Confident73.6Confident157 Ų15778.2 Ų78.262%0.61646%0.455SS*.Hα-helixtrans-69.4-41.1-179.3180-103.8000111.3D20 F24 I25 R26D20-Y22 PolarHBondContact O-N 3.36Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.48Å; D20-Y22 PolarHBondContact OD1-N 2.97Å; Y22-F24 VanDerWaalsContact C-N 3.34Å; Y22-I25 WeakPolarHBondContact O-CG2 3.3Å; Y22-R26 PolarHBondContact O-N 3.03Å
23K77.1Confident75.4Confident143 Ų14375.3 Ų75.362%0.62243%0.43SS*.Hα-helixtrans-67.5-36.4173.5-169176.1-178-179.40111.8D20 R26 Q27D20-K23 HydrophobicContact CB-CB 4.04Å; D20-K23 PolarHBondContact O-N 3.47Å; D20-K23 PolarHBondContact OD1-N 3.16Å; D20-K23 WeakPolarHBondContact OD2-CB 3.43Å; K23-R26 PolarHBondContact O-N 3.29Å; K23-Q27 WeakPolarHBondContact O-CG 3.47Å; K23-Q27 PolarHBondContact O-N 2.9Å
24F76.9Confident77.3Confident17 Ų1775.4 Ų75.48%0.07543%0.425CS..Hα-helixtrans-63.1-48.6177.7177.9-101.7000112.8F19 D20 F21 Y22 R26 Q27 T30 D93 I94F19-F24 HydrophobicContact CE1-CB 4.48Å; F19-F24 HydrophobicContact CE2-CB 4.38Å; F19-F24 HydrophobicContact CE2-CD2 4.29Å; F19-F24 HydrophobicContact CE2-CG 4.33Å; F19-F24 HydrophobicContact CZ-CB 3.81Å; F19-F24 HydrophobicContact CZ-CD1 4.1Å; F19-F24 HydrophobicContact CZ-CD2 4.11Å; F19-F24 AromaticContact CZ-CG 3.74Å; F19-F24 HydrophobicContact CZ-CG 3.74Å; D20-F24 PolarHBondContact O-N 3.34Å; F21-F24 PolarHBondContact O-N 3.34Å; Y22-F24 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.1Å; F24-Q27 WeakPolarHBondContact O-CB 3.35Å; F24-Q27 WeakPolarHBondContact O-CG 3.49Å; F24-Q27 PolarHBondContact O-N 3.28Å; F24-Q27 VanDerWaalsContact O-N 3.1Å; F24-T30 HydrophobicContact CD1-CG2 4.08Å; F24-T30 HydrophobicContact CE1-CG2 3.6Å; F24-T30 HydrophobicContact CZ-CG2 3.94Å; F24-T30 PolarHBondContact O-OG1 3.24Å; F24-D93 HydrophobicContact CE2-CB 3.75Å; F24-D93 HydrophobicContact CZ-CB 3.81Å; F24-I94 HydrophobicContact CE1-CD1 4.47Å; F24-I94 HydrophobicContact CE1-CG1 3.93Å; F24-I94 HydrophobicContact CE2-CG1 4.32Å; F24-I94 HydrophobicContact CZ-CG1 3.74Å
25I78.5Confident79.3Confident81 Ų8174.9 Ų74.942%0.41542%0.422SS..Hα-helixtrans-69.2-22.7-177.7-156.9154.3000112.8F21 Y22 Q27 I31F21-I25 HydrophobicContact CE1-CD1 4.01Å; F21-I25 HydrophobicContact CZ-CD1 4.06Å; F21-I25 PolarHBondContact O-N 3Å; Y22-I25 WeakPolarHBondContact O-CG2 3.3Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-I31 VanDerWaalsContact O-CG1 3.3Å; I25-I31 WeakPolarHBondContact O-CG1 3.26Å
26R78.8Confident81.5Confident179 Ų17969.8 Ų69.868%0.67538%0.38SS*.THydrogen-bonded Turntrans-83.2-5.8176.1-154.8174-176.3-174.61.9113.3Y22 K23 F24Y22-R26 PolarHBondContact O-N 3.03Å; K23-R26 PolarHBondContact O-N 3.29Å; F24-R26 PolarHBondContact O-N 3.1Å
27Q85.1Confident83.6Confident79 Ų7969.8 Ų69.837%0.36935%0.354SS..SBendtrans-67130.4175.1-65.5-177.8-0.900109.6K23 F24 I25 Q29 T30 I31K23-Q27 WeakPolarHBondContact O-CG 3.47Å; K23-Q27 PolarHBondContact O-N 2.9Å; F24-Q27 WeakPolarHBondContact O-CB 3.35Å; F24-Q27 WeakPolarHBondContact O-CG 3.49Å; F24-Q27 PolarHBondContact O-N 3.28Å; F24-Q27 VanDerWaalsContact O-N 3.1Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.8Å; Q27-T30 PolarHBondContact O-N 3.37Å; Q27-I31 WeakPolarHBondContact O-CG1 3.48Å; Q27-I31 PolarHBondContact O-N 3.29Å; Q27-I31 VanDerWaalsContact O-N 3.11Å
28P88.7Confident85.5Confident82 Ų8270.6 Ų70.653%0.53235%0.351SS..Hα-helixtrans-60-34.8-175.622.8-33.4000112.2I31 V32 F168P28-I31 PolarHBondContact O-N 3.04Å; P28-V32 VanDerWaalsContact O-CG2 3.26Å; P28-V32 WeakPolarHBondContact O-CG2 3.35Å; P28-V32 PolarHBondContact O-N 2.82Å; P28-F168 HydrophobicContact CB-CE2 4.27Å; P28-F168 HydrophobicContact CB-CZ 4.12Å; P28-F168 HydrophobicContact CG-CZ 4.47Å
29Q88.7Confident87.2Confident21 Ų2168.8 Ų68.810%0.09832%0.323CS..Hα-helixtrans-60.1-49.1173.5171-167.9-24.600112.5Q27 I31 V32 R33 D93 L165 F168Q27-Q29 PolarHBondContact O-N 2.8Å; Q29-I31 VanDerWaalsContact C-N 3.3Å; Q29-I31 PolarHBondContact O-N 3.2Å; Q29-V32 PolarHBondContact O-N 3.07Å; Q29-R33 WeakPolarHBondContact O-CB 3.31Å; Q29-R33 PolarHBondContact O-N 3.23Å; Q29-D93 PolarHBondContact NE2-OD1 3.01Å; Q29-D93 PolarHBondContact NE2-OD2 3.46Å; Q29-L165 HydrophobicContact CG-CD2 4.29Å; Q29-F168 HydrophobicContact CB-CD2 4Å
30T90.8Very high88.5Confident3 Ų365.4 Ų65.42%0.01831%0.309CS..Hα-helixtrans-61.2-42.5-179.1-530000110.4F24 Q27 R33 V34 L90F24-T30 HydrophobicContact CD1-CG2 4.08Å; F24-T30 HydrophobicContact CE1-CG2 3.6Å; F24-T30 HydrophobicContact CZ-CG2 3.94Å; F24-T30 PolarHBondContact O-OG1 3.24Å; Q27-T30 PolarHBondContact O-N 3.37Å; T30-R33 WeakPolarHBondContact O-CB 3.12Å; T30-R33 PolarHBondContact O-N 2.78Å; T30-V34 WeakPolarHBondContact O-CG2 3.33Å; T30-V34 PolarHBondContact O-N 3.11Å; T30-L90 HydrophobicContact CG2-CD2 4.01Å
31I93.1Very high89.4Confident80 Ų8064.5 Ų64.541%0.4130%0.303SS..Hα-helixtrans-58.8-51.1175.8-62.9169.6000110.4I25 Q27 P28 Q29 R33 V34 L35I25-I31 VanDerWaalsContact O-CG1 3.3Å; I25-I31 WeakPolarHBondContact O-CG1 3.26Å; Q27-I31 WeakPolarHBondContact O-CG1 3.48Å; Q27-I31 PolarHBondContact O-N 3.29Å; Q27-I31 VanDerWaalsContact O-N 3.11Å; P28-I31 PolarHBondContact O-N 3.04Å; Q29-I31 VanDerWaalsContact C-N 3.3Å; Q29-I31 PolarHBondContact O-N 3.2Å; I31-R33 VanDerWaalsContact C-N 3.26Å; I31-R33 PolarHBondContact O-N 3.05Å; I31-V34 PolarHBondContact O-N 2.66Å; I31-L35 HydrophobicContact CG2-CD1 4.32Å; I31-L35 WeakPolarHBondContact O-CG 3.36Å; I31-L35 PolarHBondContact O-N 3.39Å
32V95Very high90.5Very high19 Ų1960.5 Ų60.512%0.11529%0.289CS..Hα-helixtrans-63.2-35.1179.4179.70000111.1P28 Q29 L35 S36 T161 I164 L165 F168P28-V32 VanDerWaalsContact O-CG2 3.26Å; P28-V32 WeakPolarHBondContact O-CG2 3.35Å; P28-V32 PolarHBondContact O-N 2.82Å; Q29-V32 PolarHBondContact O-N 3.07Å; V32-L35 PolarHBondContact O-N 3.46Å; V32-S36 PolarHBondContact O-N 3.33Å; V32-S36 PolarHBondContact O-OG 2.91Å; V32-T161 HydrophobicContact CG1-CG2 4.4Å; V32-T161 VanDerWaalsContact CG1-O 3.29Å; V32-T161 WeakPolarHBondContact CG1-O 3.2Å; V32-I164 HydrophobicContact CG1-CB 4.13Å; V32-I164 HydrophobicContact CG1-CG2 4.04Å; V32-I164 HydrophobicContact CG2-CG2 3.97Å; V32-L165 HydrophobicContact CB-CD2 4.32Å; V32-L165 HydrophobicContact CG1-CD2 4.2Å; V32-L165 HydrophobicContact CG1-CG 3.85Å; V32-F168 HydrophobicContact CG2-CE2 4.2Å
33R95.2Very high91.4Very high3 Ų353 Ų531%0.01126%0.259CS..Hα-helixtrans-65.6-42.3175.9-169.1159-72.4175.3-3.7112.2Q29 T30 I31 L35 S36 W37 F89 L90 D93 D112 L165Q29-R33 WeakPolarHBondContact O-CB 3.31Å; Q29-R33 PolarHBondContact O-N 3.23Å; T30-R33 WeakPolarHBondContact O-CB 3.12Å; T30-R33 PolarHBondContact O-N 2.78Å; I31-R33 VanDerWaalsContact C-N 3.26Å; I31-R33 PolarHBondContact O-N 3.05Å; R33-L35 VanDerWaalsContact C-N 3.34Å; R33-S36 PolarHBondContact O-N 2.69Å; R33-W37 WeakPolarHBondContact O-CB 3.38Å; R33-W37 PolarHBondContact O-N 3.24Å; R33-F89 PolarHBondContact NH1-O 3.17Å; R33-L90 HydrophobicContact CB-CD2 4.16Å; R33-L90 HydrophobicContact CG-CD1 4.48Å; R33-L90 HydrophobicContact CG-CD2 3.87Å; R33-L90 HydrophobicContact CG-CG 3.83Å; R33-D93 IonicContact CZ-OD2 3.82Å; R33-D93 IonicContact NE-OD2 2.69Å; R33-D93 IonicContact NH1-OD1 2.97Å; R33-D93 PolarHBondContact NH1-OD1 3.32Å; R33-D93 IonicContact NH1-OD2 2.85Å; R33-D93 PolarHBondContact NH1-OD2 2.88Å; R33-D112 IonicContact CZ-OD1 3.7Å; R33-D112 IonicContact CZ-OD2 3.84Å; R33-D112 IonicContact NH1-OD2 2.99Å; R33-D112 IonicContact NH2-OD1 2.93Å; R33-D112 PolarHBondContact NH2-OD1 3.23Å; R33-D112 IonicContact NH2-OD2 2.59Å; R33-D112 PolarHBondContact NH2-OD2 3.37Å; R33-L165 HydrophobicContact CB-CD2 3.99Å
34V95.3Very high92.4Very high54 Ų5447.8 Ų47.833%0.32724%0.237SC..Hα-helixtrans-64.2-39.5173.4172.60000111T30 I31 W37 V38 L90T30-V34 WeakPolarHBondContact O-CG2 3.33Å; T30-V34 PolarHBondContact O-N 3.11Å; I31-V34 PolarHBondContact O-N 2.66Å; V34-W37 WeakPolarHBondContact O-CB 3.46Å; V34-W37 PolarHBondContact O-N 3.46Å; V34-V38 WeakPolarHBondContact O-CG2 3.41Å; V34-V38 PolarHBondContact O-N 3.16Å; V34-L90 HydrophobicContact CG2-CD1 4.4Å; V34-L90 HydrophobicContact CG2-CD2 4.4Å
35L96.3Very high93.3Very high73 Ų7348.5 Ų48.538%0.38225%0.245SC..Hα-helixtrans-62.8-47.3174.4-68.9174.7000111.8I31 V32 R33 W37 V38 F39 T161I31-L35 HydrophobicContact CG2-CD1 4.32Å; I31-L35 WeakPolarHBondContact O-CG 3.36Å; I31-L35 PolarHBondContact O-N 3.39Å; V32-L35 PolarHBondContact O-N 3.46Å; R33-L35 VanDerWaalsContact C-N 3.34Å; L35-W37 PolarHBondContact O-N 3.12Å; L35-V38 PolarHBondContact O-N 3.16Å; L35-F39 HydrophobicContact CB-CE2 4.42Å; L35-F39 HydrophobicContact CB-CZ 4.43Å; L35-F39 WeakPolarHBondContact O-CG 3.48Å; L35-F39 PolarHBondContact O-N 3.29Å; L35-T161 HydrophobicContact CB-CG2 4.3Å
36S97.1Very high94.1Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-57.4-39174.1-69.80000112.3V32 R33 A40 T161 L165V32-S36 PolarHBondContact O-N 3.33Å; V32-S36 PolarHBondContact O-OG 2.91Å; R33-S36 PolarHBondContact O-N 2.69Å; S36-A40 WeakPolarHBondContact O-CB 3.37Å; S36-A40 PolarHBondContact O-N 3.07Å; S36-T161 WeakPolarHBondContact OG-CB 3.36Å; S36-T161 PolarHBondContact OG-OG1 3.29Å; S36-L165 WeakPolarHBondContact OG-CD1 3.38Å
37W97.4Very high94.9Very high82 Ų8237.3 Ų37.331%0.31120%0.202SC..Hα-helixtrans-64.1-45.7177-179.154.6000112.1R33 V34 L35 L41 F83 C86 V87R33-W37 WeakPolarHBondContact O-CB 3.38Å; R33-W37 PolarHBondContact O-N 3.24Å; V34-W37 WeakPolarHBondContact O-CB 3.46Å; V34-W37 PolarHBondContact O-N 3.46Å; L35-W37 PolarHBondContact O-N 3.12Å; W37-L41 PolarHBondContact O-N 3.3Å; W37-F83 AromaticContact CD1-CD2 3.43Å; W37-F83 VanDerWaalsContact CD1-CD2 3.43Å; W37-F83 AromaticContact CD1-CE2 3.76Å; W37-F83 AromaticContact CD1-CG 3.99Å; W37-F83 AromaticContact CE2-CE2 3.48Å; W37-F83 VanDerWaalsContact CE2-CE2 3.48Å; W37-F83 AromaticContact CE2-CZ 4Å; W37-F83 HydrophobicContact CG-CD2 4.47Å; W37-F83 AromaticContact CZ2-CE2 3.78Å; W37-F83 HydrophobicContact CZ2-CE2 3.78Å; W37-F83 HydrophobicContact CZ2-CZ 4Å; W37-F83 AromaticContact NE1-CD2 3.08Å; W37-F83 AromaticContact NE1-CE2 2.91Å; W37-F83 AromaticContact NE1-CG 3.75Å; W37-F83 AromaticContact NE1-CZ 3.43Å; W37-C86 HydrophobicContact CB-CB 3.75Å; W37-C86 HydrophobicContact CG-CB 4.08Å; W37-V87 HydrophobicContact CZ2-CG2 4.49Å
38V98Very high95.3Very high58 Ų5837.8 Ų37.835%0.35221%0.21SC..Hα-helixtrans-65.5-43.3176.5171.90000111.3V34 L35 A40 L41 V42V34-V38 WeakPolarHBondContact O-CG2 3.41Å; V34-V38 PolarHBondContact O-N 3.16Å; L35-V38 PolarHBondContact O-N 3.16Å; V38-A40 PolarHBondContact O-N 2.84Å; V38-L41 WeakPolarHBondContact O-CB 3.4Å; V38-L41 PolarHBondContact O-N 3.13Å; V38-V42 HydrophobicContact CG1-CG2 4.44Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 3.32Å
39F97.9Very high95.5Very high33 Ų3338.4 Ų38.415%0.14521%0.213CC..Hα-helixtrans-64.1-41.8179.1-62.4-16.7000112L35 L41 V42 V43 F154 F157 S158 T161L35-F39 HydrophobicContact CB-CE2 4.42Å; L35-F39 HydrophobicContact CB-CZ 4.43Å; L35-F39 WeakPolarHBondContact O-CG 3.48Å; L35-F39 PolarHBondContact O-N 3.29Å; F39-L41 VanDerWaalsContact C-N 3.34Å; F39-L41 PolarHBondContact O-N 2.97Å; F39-V42 PolarHBondContact O-N 3.14Å; F39-V43 WeakPolarHBondContact O-CG2 3.5Å; F39-V43 PolarHBondContact O-N 2.93Å; F39-F154 HydrophobicContact CB-CD1 4.42Å; F39-F154 AromaticContact CD1-CD1 3.5Å; F39-F154 HydrophobicContact CD1-CD1 3.5Å; F39-F154 AromaticContact CD1-CE1 3.82Å; F39-F154 HydrophobicContact CD1-CE1 3.82Å; F39-F154 AromaticContact CE1-CD1 3.95Å; F39-F154 HydrophobicContact CE1-CD1 3.95Å; F39-F154 AromaticContact CE1-CE1 3.91Å; F39-F154 HydrophobicContact CE1-CE1 3.91Å; F39-F154 HydrophobicContact CG-CD1 4.09Å; F39-F157 HydrophobicContact CD2-CB 3.93Å; F39-F157 HydrophobicContact CE2-CB 3.63Å; F39-F157 HydrophobicContact CZ-CB 4.19Å; F39-S158 VanDerWaalsContact CB-OG 3.3Å; F39-S158 WeakPolarHBondContact CB-OG 3.4Å; F39-T161 HydrophobicContact CD2-CG2 3.93Å; F39-T161 HydrophobicContact CE2-CG2 3.49Å; F39-T161 VanDerWaalsContact CE2-CG2 3.49Å
40A97.9Very high95.5Very high0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-59.3-45.5173.400000111.7S36 V38 V42 V43 F44 A82 F83 W123S36-A40 WeakPolarHBondContact O-CB 3.37Å; S36-A40 PolarHBondContact O-N 3.07Å; V38-A40 PolarHBondContact O-N 2.84Å; A40-V42 PolarHBondContact O-N 3.48Å; A40-V43 PolarHBondContact O-N 3.31Å; A40-F44 WeakPolarHBondContact O-CD1 3.29Å; A40-F44 PolarHBondContact O-N 3.34Å; A40-F44 VanDerWaalsContact O-N 3.16Å; A40-A82 HydrophobicContact CB-CB 3.63Å; A40-F83 HydrophobicContact CB-CB 4.33Å; A40-W123 HydrophobicContact CB-CZ2 4.22Å
41L97.8Very high95.4Very high69 Ų6941.9 Ų41.936%0.36123%0.229SC..Hα-helixtrans-55.3-49.7174.9177.965.7000111.7W37 V38 F39 V43 F44 A45 F83W37-L41 PolarHBondContact O-N 3.3Å; V38-L41 WeakPolarHBondContact O-CB 3.4Å; V38-L41 PolarHBondContact O-N 3.13Å; F39-L41 VanDerWaalsContact C-N 3.34Å; F39-L41 PolarHBondContact O-N 2.97Å; L41-V43 PolarHBondContact O-N 3.08Å; L41-F44 VanDerWaalsContact CA-CE1 3.47Å; L41-F44 HydrophobicContact CB-CE1 4.34Å; L41-F44 HydrophobicContact CD1-CE1 3.93Å; L41-F44 HydrophobicContact CD1-CE2 4.11Å; L41-F44 HydrophobicContact CD1-CZ 3.4Å; L41-F44 VanDerWaalsContact CD1-CZ 3.4Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.21Å; L41-F83 HydrophobicContact CB-CD2 4.12Å; L41-F83 HydrophobicContact CB-CE2 4.35Å; L41-F83 HydrophobicContact CD1-CD2 4.35Å; L41-F83 HydrophobicContact CD1-CE2 4.06Å
42V97.3Very high95.3Very high37 Ų3742.3 Ų42.322%0.22423%0.225CC..Hα-helixtrans-61.1-46.4-179.6175.50000111V38 F39 A40 A45 C46 F154V38-V42 HydrophobicContact CG1-CG2 4.44Å; V38-V42 WeakPolarHBondContact O-CG2 3.49Å; V38-V42 PolarHBondContact O-N 3.32Å; F39-V42 PolarHBondContact O-N 3.14Å; A40-V42 PolarHBondContact O-N 3.48Å; V42-A45 PolarHBondContact O-N 2.85Å; V42-C46 WeakPolarHBondContact O-CB 3.38Å; V42-C46 PolarHBondContact O-N 3.43Å; V42-C46 PolarHBondContact O-SG 2.63Å; V42-F154 HydrophobicContact CB-CD2 4.22Å; V42-F154 HydrophobicContact CB-CG 4.24Å; V42-F154 HydrophobicContact CG1-CB 4.42Å; V42-F154 HydrophobicContact CG1-CD1 4.49Å; V42-F154 HydrophobicContact CG1-CD2 3.35Å; V42-F154 HydrophobicContact CG1-CE2 3.65Å; V42-F154 HydrophobicContact CG1-CG 3.85Å; V42-F154 HydrophobicContact CG1-CZ 4.32Å
43V97.4Very high94.9Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-59.6-54.8-178.2169.40000111.9F39 A40 L41 I47 W123 T151 F154F39-V43 WeakPolarHBondContact O-CG2 3.5Å; F39-V43 PolarHBondContact O-N 2.93Å; A40-V43 PolarHBondContact O-N 3.31Å; L41-V43 PolarHBondContact O-N 3.08Å; V43-I47 WeakPolarHBondContact O-CG1 3.39Å; V43-I47 PolarHBondContact O-N 3.32Å; V43-W123 HydrophobicContact CB-CH2 3.84Å; V43-W123 HydrophobicContact CB-CZ3 4.21Å; V43-W123 HydrophobicContact CG1-CH2 3.8Å; V43-W123 HydrophobicContact CG1-CZ3 3.87Å; V43-W123 HydrophobicContact CG2-CH2 3.81Å; V43-W123 HydrophobicContact CG2-CZ3 3.87Å; V43-T151 HydrophobicContact CG1-CG2 3.97Å; V43-F154 HydrophobicContact CG2-CB 3.75Å
44F97Very high94.5Very high34 Ų3447.5 Ų47.515%0.14925%0.254CS..Hα-helixtrans-71.2-34.5-177.377.7-108.3000111.4A40 L41 I47 T48 V80 F83A40-F44 WeakPolarHBondContact O-CD1 3.29Å; A40-F44 PolarHBondContact O-N 3.34Å; A40-F44 VanDerWaalsContact O-N 3.16Å; L41-F44 VanDerWaalsContact CA-CE1 3.47Å; L41-F44 HydrophobicContact CB-CE1 4.34Å; L41-F44 HydrophobicContact CD1-CE1 3.93Å; L41-F44 HydrophobicContact CD1-CE2 4.11Å; L41-F44 HydrophobicContact CD1-CZ 3.4Å; L41-F44 VanDerWaalsContact CD1-CZ 3.4Å; F44-I47 PolarHBondContact O-N 3.28Å; F44-T48 VanDerWaalsContact O-CG2 3.31Å; F44-T48 WeakPolarHBondContact O-CG2 3.31Å; F44-T48 PolarHBondContact O-N 3.35Å; F44-T48 PolarHBondContact O-OG1 2.73Å; F44-T48 VanDerWaalsContact O-OG1 3.07Å; F44-V80 HydrophobicContact CB-CG2 4.12Å; F44-V80 HydrophobicContact CD1-CG2 4.12Å; F44-V80 HydrophobicContact CD2-CG2 4.18Å; F44-V80 HydrophobicContact CG-CG2 3.9Å; F44-F83 HydrophobicContact CE1-CB 3.81Å; F44-F83 AromaticContact CE1-CD2 3.92Å; F44-F83 HydrophobicContact CE1-CD2 3.92Å; F44-F83 AromaticContact CE1-CG 3.89Å; F44-F83 HydrophobicContact CE1-CG 3.89Å; F44-F83 HydrophobicContact CZ-CD2 4.34Å; F44-F83 HydrophobicContact CZ-CG 4.42Å
45A96.9Very high93.8Very high31 Ų3145.5 Ų45.526%0.25624%0.242SC..Hα-helixtrans-66.1-42.4179.500000111.9L41 V42 I47 T48 T49L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.21Å; V42-A45 PolarHBondContact O-N 2.85Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 2.72Å; A45-T48 WeakPolarHBondContact CA-OG1 3.26Å; A45-T48 PolarHBondContact O-N 3.03Å; A45-T48 PolarHBondContact O-OG1 3.25Å; A45-T49 WeakPolarHBondContact O-CB 3.34Å; A45-T49 WeakPolarHBondContact O-CG2 3.49Å; A45-T49 PolarHBondContact O-N 3.22Å; A45-T49 PolarHBondContact O-OG1 2.61Å
46C95.1Very high92.9Very high25 Ų2548 Ų4817%0.16926%0.263CS..Hα-helixtrans-59.3-40.5175.4-74.40000111.5V42 T49 E50 G51 T151V42-C46 WeakPolarHBondContact O-CB 3.38Å; V42-C46 PolarHBondContact O-N 3.43Å; V42-C46 PolarHBondContact O-SG 2.63Å; C46-T49 PolarHBondContact O-OG1 2.99Å; C46-E50 PolarHBondContact O-N 3.47Å; C46-G51 PolarHBondContact O-N 2.9Å; C46-T151 WeakPolarHBondContact CB-OG1 3.31Å
47I94.8Very high91.9Very high1 Ų153.3 Ų53.31%0.00530%0.3CS..Hα-helixtrans-74.3-40.1179.1-61179.5000112.1V43 F44 A45 T49 G51 Y52 F65 C72 A75 V76 T151V43-I47 WeakPolarHBondContact O-CG1 3.39Å; V43-I47 PolarHBondContact O-N 3.32Å; F44-I47 PolarHBondContact O-N 3.28Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 2.72Å; I47-T49 VanDerWaalsContact C-N 3.29Å; I47-T49 PolarHBondContact O-N 3.16Å; I47-G51 WeakPolarHBondContact O-CA 3.27Å; I47-G51 PolarHBondContact O-N 2.95Å; I47-Y52 HydrophobicContact CG2-CE2 4.34Å; I47-F65 HydrophobicContact CD1-CE2 4.44Å; I47-C72 HydrophobicContact CG2-CB 3.78Å; I47-A75 HydrophobicContact CD1-CB 3.17Å; I47-V76 HydrophobicContact CB-CG2 3.79Å; I47-V76 HydrophobicContact CD1-CG2 4.39Å; I47-V76 HydrophobicContact CG2-CG2 3.51Å; I47-T151 HydrophobicContact CD1-CG2 3.67Å; I47-T151 HydrophobicContact CG1-CG2 3.8Å
48T94.4Very high91.1Very high88 Ų8851.7 Ų51.754%0.5430%0.301SS..Hα-helixtrans-71.6-25.7-179.155.60000112.9F44 A45 V76F44-T48 VanDerWaalsContact O-CG2 3.31Å; F44-T48 WeakPolarHBondContact O-CG2 3.31Å; F44-T48 PolarHBondContact O-N 3.35Å; F44-T48 PolarHBondContact O-OG1 2.73Å; F44-T48 VanDerWaalsContact O-OG1 3.07Å; A45-T48 WeakPolarHBondContact CA-OG1 3.26Å; A45-T48 PolarHBondContact O-N 3.03Å; A45-T48 PolarHBondContact O-OG1 3.25Å; T48-V76 HydrophobicContact CG2-CG1 4.4Å; T48-V76 HydrophobicContact CG2-CG2 4.21Å
49T92.5Very high90.3Very high96 Ų9653.4 Ų53.459%0.58932%0.321SS*.Hα-helixtrans-89.3-49.5178.652.30000112.4A45 C46 I47A45-T49 WeakPolarHBondContact O-CB 3.34Å; A45-T49 WeakPolarHBondContact O-CG2 3.49Å; A45-T49 PolarHBondContact O-N 3.22Å; A45-T49 PolarHBondContact O-OG1 2.61Å; C46-T49 PolarHBondContact O-OG1 2.99Å; I47-T49 VanDerWaalsContact C-N 3.29Å; I47-T49 PolarHBondContact O-N 3.16Å
50E89.3Confident89.7Confident97 Ų9758 Ų5845%0.45334%0.343SS..Hα-helixtrans-124.74.6-168.9-61.5-64.815000112.7C46 Y52 I64 P144 A147C46-E50 PolarHBondContact O-N 3.47Å; E50-Y52 PolarHBondContact O-N 2.93Å; E50-I64 WeakPolarHBondContact O-CG2 3.35Å; E50-P144 HydrophobicContact CB-CB 4.16Å; E50-P144 HydrophobicContact CB-CG 4.19Å; E50-A147 HydrophobicContact CB-CB 3.71Å; E50-A147 HydrophobicContact CG-CB 4.41Å
51G88.1Confident89.1Confident0 Ų060.4 Ų60.40%036%0.363CS..SBendtrans-81.2-8.4-174.300000115.4C46 I47 C63 I64C46-G51 PolarHBondContact O-N 2.9Å; I47-G51 WeakPolarHBondContact O-CA 3.27Å; I47-G51 PolarHBondContact O-N 2.95Å; G51-C63 CarbonylContact O-C 3.53Å; G51-C63 VanDerWaalsContact O-CA 3.28Å; G51-C63 WeakPolarHBondContact O-CA 3.32Å; G51-I64 WeakPolarHBondContact O-CG2 3.02Å; G51-I64 PolarHBondContact O-N 3.34Å
52Y90.4Very high88.8Confident88 Ų8859.8 Ų59.835%0.34536%0.357SS..EExtended strand (participates in β ladder)trans-128.9120.9179.1-71.6-91000110.7I47 E50 K62 C63 C72I47-Y52 HydrophobicContact CG2-CE2 4.34Å; E50-Y52 PolarHBondContact O-N 2.93Å; Y52-K62 WeakPolarHBondContact CA-O 3.37Å; Y52-C63 HydrophobicContact CE1-CB 4.12Å; Y52-C72 HydrophobicContact CE2-CB 4.07Å; Y52-C72 WeakPolarHBondContact OH-CB 3.42Å
53V87.2Confident88.5Confident30 Ų3058 Ų5818%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-134.2156.1177.4-510000111.5K62 I64 F143 P144V53-K62 PolarHBondContact N-O 3.26Å; V53-K62 PolarHBondContact O-N 3.24Å; V53-I64 HydrophobicContact CG1-CG2 4.33Å; V53-F143 HydrophobicContact CB-CD1 4.48Å; V53-F143 HydrophobicContact CG2-CD1 3.12Å; V53-F143 HydrophobicContact CG2-CE1 3.09Å; V53-F143 HydrophobicContact CG2-CG 4.38Å; V53-F143 HydrophobicContact CG2-CZ 4.34Å; V53-P144 HydrophobicContact CG1-CG 4.2Å
54N87.3Confident88.2Confident101 Ų10158.1 Ų58.154%0.5435%0.347SS..  trans-84.4120179.5-62.7-25.2000109.7A61N54-A61 WeakPolarHBondContact OD1-CA 3.38Å; N54-A61 VanDerWaalsContact OD1-CB 3.32Å; N54-A61 WeakPolarHBondContact OD1-CB 3.39Å; N54-A61 PolarHBondContact OD1-N 3.01Å
55P80.2Confident87.9Confident12 Ų1256.5 Ų56.58%0.07834%0.34CS..  trans-67.8153.7173.428.7-31.3000110.4S57 S58 Q60 K62P55-S57 PolarHBondContact O-N 3.45Å; P55-S58 PolarHBondContact O-N 2.95Å; P55-Q60 WeakPolarHBondContact CD-O 3.22Å; P55-K62 HydrophobicContact CG-CG 4.41Å
56P77.1Confident87.6Confident126 Ų12658.2 Ų58.282%0.81835%0.345SS*.THydrogen-bonded Turntrans-61.2-19.5-177.723.9-33.8000113.7
57S77.1Confident87.4Confident111 Ų11161.4 Ų61.478%0.77636%0.357SS*.THydrogen-bonded Turntrans-89.6-9.6179.757.40000114.7P55P55-S57 PolarHBondContact O-N 3.45Å
58S78.9Confident87.2Confident49 Ų4962.5 Ų62.534%0.34337%0.365SS..  trans-152.8141.4-175.6-1800000112.7P55 Q60P55-S58 PolarHBondContact O-N 2.95Å; S58-Q60 PolarHBondContact O-N 3.31Å; S58-Q60 PolarHBondContact OG-N 3.46Å
59A82.4Confident87.1Confident94 Ų9460.9 Ų60.978%0.77735%0.353SS*.SBendtrans-75.40.1174.300000113.9
60Q84.7Confident87.2Confident130 Ų13060 Ų6061%0.60735%0.351SS*.SBendtrans-90.6128.9179.7-66.8-172.5-15.100111.6P55 S58 K62P55-Q60 WeakPolarHBondContact CD-O 3.22Å; S58-Q60 PolarHBondContact O-N 3.31Å; S58-Q60 PolarHBondContact OG-N 3.46Å; Q60-K62 PolarHBondContact O-N 3.25Å
61A86.3Confident87.5Confident49 Ų4955.4 Ų55.441%0.40533%0.33SS..  trans-68132.6177.400000110.6N54N54-A61 WeakPolarHBondContact OD1-CA 3.38Å; N54-A61 VanDerWaalsContact OD1-CB 3.32Å; N54-A61 WeakPolarHBondContact OD1-CB 3.39Å; N54-A61 PolarHBondContact OD1-N 3.01Å
62K89.6Confident87.8Confident57 Ų5755.4 Ų55.425%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-124.3146.4179.8-69.4-64.9-178.9-179.50110.4Y52 V53 P55 Q60 I64 Q67 D69Y52-K62 WeakPolarHBondContact CA-O 3.37Å; V53-K62 PolarHBondContact N-O 3.26Å; V53-K62 PolarHBondContact O-N 3.24Å; P55-K62 HydrophobicContact CG-CG 4.41Å; Q60-K62 PolarHBondContact O-N 3.25Å; K62-I64 PolarHBondContact O-N 2.84Å; K62-Q67 HydrophobicContact CB-CB 4.07Å; K62-Q67 HydrophobicContact CB-CG 4.07Å; K62-Q67 HydrophobicContact CG-CB 4.4Å; K62-D69 IonicContact NZ-OD2 3.81Å
63C91.8Very high88.1Confident0 Ų057.2 Ų57.20%034%0.341CS..EExtended strand (participates in β ladder)trans-55.2136.9175.2174.50000111.4G51 Y52 F65 Q67 S68 D69 C72G51-C63 CarbonylContact O-C 3.53Å; G51-C63 VanDerWaalsContact O-CA 3.28Å; G51-C63 WeakPolarHBondContact O-CA 3.32Å; Y52-C63 HydrophobicContact CE1-CB 4.12Å; C63-F65 PolarHBondContact O-N 3.37Å; C63-F65 PolarHBondContact SG-N 2.84Å; C63-F65 VanDerWaalsContact SG-N 3.44Å; C63-Q67 WeakPolarHBondContact O-CA 3.3Å; C63-Q67 PolarHBondContact O-N 2.95Å; C63-Q67 VanDerWaalsContact O-N 3.14Å; C63-S68 WeakPolarHBondContact CB-O 3.24Å; C63-S68 PolarHBondContact SG-O 2.98Å; C63-D69 PolarHBondContact N-OD1 3.43Å; C63-C72 HydrophobicContact CB-CB 3.78Å; C63-C72 WeakPolarHBondContact CB-SG 3.41Å; C63-C72 WeakPolarHBondContact SG-CB 3.39Å; C63-C72 CovalentContact SG-SG 2.02Å; C63-C72 PolarHBondContact SG-SG 2.99Å
64I91.1Very high88.6Confident1 Ų158.8 Ų58.81%0.00534%0.344CS..THydrogen-bonded Turntrans-61.9-24.5178.763.1178.5000113.3E50 G51 V53 K62 N66 F143 A148E50-I64 WeakPolarHBondContact O-CG2 3.35Å; G51-I64 WeakPolarHBondContact O-CG2 3.02Å; G51-I64 PolarHBondContact O-N 3.34Å; V53-I64 HydrophobicContact CG1-CG2 4.33Å; K62-I64 PolarHBondContact O-N 2.84Å; I64-N66 PolarHBondContact O-N 2.84Å; I64-F143 HydrophobicContact CB-CD1 4.39Å; I64-F143 HydrophobicContact CG2-CD1 4.02Å; I64-A148 HydrophobicContact CD1-CB 3.76Å
65F91.1Very high89.1Confident0 Ų054 Ų540%032%0.318CS..THydrogen-bonded Turntrans-86.693.7178.7-64.3-75.1000110.2I47 C63 Q67 S68 A71 L130 Q133 W134 A148 T151 I152I47-F65 HydrophobicContact CD1-CE2 4.44Å; C63-F65 PolarHBondContact O-N 3.37Å; C63-F65 PolarHBondContact SG-N 2.84Å; C63-F65 VanDerWaalsContact SG-N 3.44Å; F65-Q67 PolarHBondContact O-N 3.31Å; F65-S68 VanDerWaalsContact O-CB 3.32Å; F65-S68 WeakPolarHBondContact O-CB 3.21Å; F65-S68 PolarHBondContact O-N 3.42Å; F65-A71 HydrophobicContact CB-CB 4.14Å; F65-L130 HydrophobicContact CD1-CB 4.48Å; F65-L130 HydrophobicContact CD1-CD2 4.04Å; F65-L130 HydrophobicContact CD2-CD2 3.66Å; F65-L130 HydrophobicContact CE1-CB 4.21Å; F65-L130 HydrophobicContact CE1-CD2 4.05Å; F65-L130 HydrophobicContact CE2-CD2 3.68Å; F65-L130 HydrophobicContact CG-CD2 3.86Å; F65-L130 HydrophobicContact CZ-CD2 3.88Å; F65-Q133 HydrophobicContact CB-CB 3.84Å; F65-W134 HydrophobicContact CD1-CB 4.2Å; F65-W134 HydrophobicContact CD1-CE3 4.24Å; F65-W134 HydrophobicContact CE1-CB 4.37Å; F65-W134 HydrophobicContact CE1-CE3 4.25Å; F65-A148 HydrophobicContact CE1-CB 4.19Å; F65-A148 HydrophobicContact CZ-CB 4.17Å; F65-T151 HydrophobicContact CE2-CG2 4.22Å; F65-T151 HydrophobicContact CZ-CG2 4.09Å; F65-I152 HydrophobicContact CE1-CD1 3.98Å; F65-I152 HydrophobicContact CE1-CG1 3.97Å; F65-I152 HydrophobicContact CZ-CG1 4.38Å
66N91.3Very high89.9Confident67 Ų6755 Ų5536%0.35832%0.324SS..THydrogen-bonded Turntrans49.932.4177.2-166.527.2000114.3I64 S68 Q133 T137I64-N66 PolarHBondContact O-N 2.84Å; N66-S68 PolarHBondContact O-N 3.42Å; N66-Q133 HydrophobicContact CB-CB 4.03Å; N66-Q133 WeakPolarHBondContact CB-O 3.01Å; N66-Q133 PolarHBondContact ND2-OE1 3.3Å; N66-T137 PolarHBondContact N-OG1 3.32Å
67Q89.3Confident90.9Very high92 Ų9250.5 Ų50.543%0.4330%0.301SS..THydrogen-bonded Turntrans54.422.7-176-53.9179.418.900113.6K62 C63 F65 D69K62-Q67 HydrophobicContact CB-CB 4.07Å; K62-Q67 HydrophobicContact CB-CG 4.07Å; K62-Q67 HydrophobicContact CG-CB 4.4Å; C63-Q67 WeakPolarHBondContact O-CA 3.3Å; C63-Q67 PolarHBondContact O-N 2.95Å; C63-Q67 VanDerWaalsContact O-N 3.14Å; F65-Q67 PolarHBondContact O-N 3.31Å; Q67-D69 PolarHBondContact O-N 2.97Å
68S91.3Very high91.9Very high24 Ų2445.7 Ų45.717%0.16827%0.266CS..  trans-94.898.1-176-174.80000110C63 F65 N66 S70 A71 C72C63-S68 WeakPolarHBondContact CB-O 3.24Å; C63-S68 PolarHBondContact SG-O 2.98Å; F65-S68 VanDerWaalsContact O-CB 3.32Å; F65-S68 WeakPolarHBondContact O-CB 3.21Å; F65-S68 PolarHBondContact O-N 3.42Å; N66-S68 PolarHBondContact O-N 3.42Å; S68-S70 PolarHBondContact O-N 3.26Å; S68-S70 PolarHBondContact OG-OG 2.9Å; S68-S70 VanDerWaalsContact OG-OG 3.11Å; S68-A71 WeakPolarHBondContact O-CB 3.4Å; S68-A71 PolarHBondContact O-N 3.34Å; S68-C72 PolarHBondContact O-N 3.06Å
69D92.3Very high92.8Very high55 Ų5543.3 Ų43.329%0.29425%0.25SC..Hα-helixtrans-59.8-30.4-179.1-63.8-33.3000112.1K62 C63 Q67 A71 C72 Q73K62-D69 IonicContact NZ-OD2 3.81Å; C63-D69 PolarHBondContact N-OD1 3.43Å; Q67-D69 PolarHBondContact O-N 2.97Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 3.09Å; D69-C72 PolarHBondContact O-N 3.21Å; D69-Q73 VanDerWaalsContact O-CB 3.27Å; D69-Q73 WeakPolarHBondContact O-CB 3.33Å; D69-Q73 WeakPolarHBondContact O-CG 3.17Å; D69-Q73 PolarHBondContact O-N 3.32Å
70S94.5Very high93.5Very high77 Ų7741.4 Ų41.454%0.53823%0.228SC..Hα-helixtrans-66.4-31.9176.258.70000113.2S68 Y74S68-S70 PolarHBondContact O-N 3.26Å; S68-S70 PolarHBondContact OG-OG 2.9Å; S68-S70 VanDerWaalsContact OG-OG 3.11Å; S70-Y74 WeakPolarHBondContact O-CB 3.46Å; S70-Y74 PolarHBondContact O-N 2.89Å
71A94.8Very high94.2Very high1 Ų139.3 Ų39.31%0.00822%0.22CC..Hα-helixtrans-68.1-49176.700000111.3F65 S68 D69 Y74 A75 V129 Q133F65-A71 HydrophobicContact CB-CB 4.14Å; S68-A71 WeakPolarHBondContact O-CB 3.4Å; S68-A71 PolarHBondContact O-N 3.34Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 3.09Å; A71-Y74 PolarHBondContact O-N 3.17Å; A71-A75 WeakPolarHBondContact O-CB 3.47Å; A71-A75 PolarHBondContact O-N 2.97Å; A71-V129 HydrophobicContact CB-CG1 4.23Å; A71-Q133 HydrophobicContact CB-CG 4.06Å
72C95.4Very high94.7Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-62.8-45.9175.4-79.30000111.8I47 Y52 C63 S68 D69 Y74 A75 V76I47-C72 HydrophobicContact CG2-CB 3.78Å; Y52-C72 HydrophobicContact CE2-CB 4.07Å; Y52-C72 WeakPolarHBondContact OH-CB 3.42Å; C63-C72 HydrophobicContact CB-CB 3.78Å; C63-C72 WeakPolarHBondContact CB-SG 3.41Å; C63-C72 WeakPolarHBondContact SG-CB 3.39Å; C63-C72 CovalentContact SG-SG 2.02Å; C63-C72 PolarHBondContact SG-SG 2.99Å; S68-C72 PolarHBondContact O-N 3.06Å; D69-C72 PolarHBondContact O-N 3.21Å; C72-Y74 VanDerWaalsContact C-N 3.34Å; C72-Y74 PolarHBondContact O-N 2.95Å; C72-A75 PolarHBondContact O-N 3.27Å; C72-V76 WeakPolarHBondContact O-CG2 3.32Å; C72-V76 PolarHBondContact O-N 3.28Å
73Q96.8Very high95.1Very high125 Ų12536.5 Ų36.558%0.58420%0.199SC*.Hα-helixtrans-62.9-40.7178.8-75.1173.7-10.300112.2D69 G77D69-Q73 VanDerWaalsContact O-CB 3.27Å; D69-Q73 WeakPolarHBondContact O-CB 3.33Å; D69-Q73 WeakPolarHBondContact O-CG 3.17Å; D69-Q73 PolarHBondContact O-N 3.32Å; Q73-G77 PolarHBondContact O-N 2.88Å
74Y97.3Very high95.4Very high63 Ų6341.6 Ų41.625%0.24723%0.226CC..Hα-helixtrans-59.7-50.8174.4177.9-123.8000110.6S70 A71 C72 V76 G77 I78 L122 V125 C126S70-Y74 WeakPolarHBondContact O-CB 3.46Å; S70-Y74 PolarHBondContact O-N 2.89Å; A71-Y74 PolarHBondContact O-N 3.17Å; C72-Y74 VanDerWaalsContact C-N 3.34Å; C72-Y74 PolarHBondContact O-N 2.95Å; Y74-V76 PolarHBondContact O-N 3.06Å; Y74-G77 PolarHBondContact O-N 3.4Å; Y74-G77 VanDerWaalsContact O-N 3.17Å; Y74-I78 HydrophobicContact CD2-CG2 3.97Å; Y74-I78 HydrophobicContact CE2-CG2 3.52Å; Y74-I78 WeakPolarHBondContact O-CD1 3.4Å; Y74-I78 PolarHBondContact O-N 2.96Å; Y74-L122 PolarHBondContact OH-O 3.47Å; Y74-L122 VanDerWaalsContact OH-O 3.07Å; Y74-V125 HydrophobicContact CE1-CG1 4.08Å; Y74-V125 WeakPolarHBondContact OH-CB 3.41Å; Y74-V125 WeakPolarHBondContact OH-CG1 3.35Å; Y74-C126 HydrophobicContact CD1-CB 4.29Å; Y74-C126 VanDerWaalsContact CE1-CA 3.44Å; Y74-C126 HydrophobicContact CE1-CB 3.68Å
75A97Very high95.6Very high0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-61.2-39-179.900000113.9I47 A71 C72 I78 G79 L130I47-A75 HydrophobicContact CD1-CB 3.17Å; A71-A75 WeakPolarHBondContact O-CB 3.47Å; A71-A75 PolarHBondContact O-N 2.97Å; C72-A75 PolarHBondContact O-N 3.27Å; A75-I78 HydrophobicContact CB-CD1 4.41Å; A75-I78 WeakPolarHBondContact O-CD1 3.45Å; A75-G79 PolarHBondContact O-N 3.39Å; A75-L130 HydrophobicContact CB-CD1 4.16Å; A75-L130 HydrophobicContact CB-CD2 4.08Å
76V98.1Very high95.8Very high34 Ų3442.3 Ų42.321%0.20623%0.232CC..Hα-helixtrans-67.6-45.5172.3171.30000110.8I47 T48 C72 Y74 G79 V80I47-V76 HydrophobicContact CB-CG2 3.79Å; I47-V76 HydrophobicContact CD1-CG2 4.39Å; I47-V76 HydrophobicContact CG2-CG2 3.51Å; T48-V76 HydrophobicContact CG2-CG1 4.4Å; T48-V76 HydrophobicContact CG2-CG2 4.21Å; C72-V76 WeakPolarHBondContact O-CG2 3.32Å; C72-V76 PolarHBondContact O-N 3.28Å; Y74-V76 PolarHBondContact O-N 3.06Å; V76-G79 PolarHBondContact O-N 2.88Å; V76-V80 HydrophobicContact CG1-CG2 4.09Å; V76-V80 WeakPolarHBondContact O-CB 3.15Å; V76-V80 WeakPolarHBondContact O-CG2 3.31Å; V76-V80 PolarHBondContact O-N 2.94Å
77G97.9Very high96Very high31 Ų3141.7 Ų41.732%0.3223%0.23SC..Hα-helixtrans-59.2-52.5-177.800000112.7Q73 Y74 G79 I81Q73-G77 PolarHBondContact O-N 2.88Å; Y74-G77 PolarHBondContact O-N 3.4Å; Y74-G77 VanDerWaalsContact O-N 3.17Å; G77-G79 VanDerWaalsContact C-N 3.31Å; G77-G79 PolarHBondContact O-N 3.32Å; G77-I81 WeakPolarHBondContact O-CG1 3.42Å; G77-I81 PolarHBondContact O-N 3.4Å; G77-I81 VanDerWaalsContact O-N 3.15Å
78I97.8Very high96.3Very high10 Ų1038.9 Ų38.95%0.05123%0.226CC..Hα-helixtrans-69.1-30.9179.185.2-72.2000112.3Y74 A75 A82 W119 W123 C126Y74-I78 HydrophobicContact CD2-CG2 3.97Å; Y74-I78 HydrophobicContact CE2-CG2 3.52Å; Y74-I78 WeakPolarHBondContact O-CD1 3.4Å; Y74-I78 PolarHBondContact O-N 2.96Å; A75-I78 HydrophobicContact CB-CD1 4.41Å; A75-I78 WeakPolarHBondContact O-CD1 3.45Å; I78-A82 WeakPolarHBondContact O-CB 3.39Å; I78-A82 PolarHBondContact O-N 2.89Å; I78-W119 HydrophobicContact CB-CZ2 4.2Å; I78-W119 PolarHBondContact O-NE1 3.31Å; I78-W123 HydrophobicContact CD1-CZ3 4.43Å; I78-W123 HydrophobicContact CG1-CD2 4.42Å; I78-W123 HydrophobicContact CG1-CE3 4.3Å; I78-W123 HydrophobicContact CG1-CH2 4.29Å; I78-W123 HydrophobicContact CG1-CZ2 4.42Å; I78-W123 HydrophobicContact CG1-CZ3 4.22Å; I78-C126 HydrophobicContact CD1-CB 3.93Å; I78-C126 VanDerWaalsContact CD1-SG 3.52Å; I78-C126 HydrophobicContact CG1-CB 4.32Å
79G97.8Very high96.4Very high0 Ų038.9 Ų38.90%022%0.224CC..Hα-helixtrans-67.1-47.1175.700000113.2A75 V76 G77 A82 F83A75-G79 PolarHBondContact O-N 3.39Å; V76-G79 PolarHBondContact O-N 2.88Å; G77-G79 VanDerWaalsContact C-N 3.31Å; G77-G79 PolarHBondContact O-N 3.32Å; G79-A82 WeakPolarHBondContact O-CB 3.49Å; G79-A82 PolarHBondContact O-N 3.28Å; G79-F83 WeakPolarHBondContact O-CB 3.35Å; G79-F83 PolarHBondContact O-N 3.22Å
80V98.4Very high96.3Very high53 Ų5337.6 Ų37.632%0.32122%0.216SC..Hα-helixtrans-66.4-44.1179.4170.90000111.2F44 V76 F83 L84F44-V80 HydrophobicContact CB-CG2 4.12Å; F44-V80 HydrophobicContact CD1-CG2 4.12Å; F44-V80 HydrophobicContact CD2-CG2 4.18Å; F44-V80 HydrophobicContact CG-CG2 3.9Å; V76-V80 HydrophobicContact CG1-CG2 4.09Å; V76-V80 WeakPolarHBondContact O-CB 3.15Å; V76-V80 WeakPolarHBondContact O-CG2 3.31Å; V76-V80 PolarHBondContact O-N 2.94Å; V80-F83 WeakPolarHBondContact O-CB 3.36Å; V80-F83 PolarHBondContact O-N 2.88Å; V80-L84 HydrophobicContact CG1-CD1 4.26Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 2.84Å
81I98.1Very high96.1Very high86 Ų8638.5 Ų38.544%0.44121%0.213SC..Hα-helixtrans-68.1-39.3178.9-60165000110.4G77 F83 L84 A85 F115 W119G77-I81 WeakPolarHBondContact O-CG1 3.42Å; G77-I81 PolarHBondContact O-N 3.4Å; G77-I81 VanDerWaalsContact O-N 3.15Å; I81-F83 VanDerWaalsContact C-N 3.32Å; I81-F83 PolarHBondContact O-N 3.47Å; I81-L84 PolarHBondContact O-N 2.95Å; I81-A85 WeakPolarHBondContact O-CB 3.31Å; I81-A85 PolarHBondContact O-N 3.46Å; I81-F115 HydrophobicContact CG2-CZ 4.24Å; I81-W119 HydrophobicContact CB-CH2 3.76Å; I81-W119 HydrophobicContact CB-CZ2 3.57Å; I81-W119 HydrophobicContact CD1-CH2 4.28Å; I81-W119 HydrophobicContact CG2-CH2 3.29Å; I81-W119 HydrophobicContact CG2-CZ2 3.53Å; I81-W119 HydrophobicContact CG2-CZ3 4.17Å
82A97.7Very high95.9Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-54.6-49170.800000111.5A40 I78 G79 L84 A85 C86 W119 W123 W162A40-A82 HydrophobicContact CB-CB 3.63Å; I78-A82 WeakPolarHBondContact O-CB 3.39Å; I78-A82 PolarHBondContact O-N 2.89Å; G79-A82 WeakPolarHBondContact O-CB 3.49Å; G79-A82 PolarHBondContact O-N 3.28Å; A82-L84 PolarHBondContact O-N 3.18Å; A82-A85 PolarHBondContact O-N 3Å; A82-C86 WeakPolarHBondContact O-CB 3.37Å; A82-C86 PolarHBondContact O-N 2.82Å; A82-C86 PolarHBondContact O-SG 3.36Å; A82-C86 VanDerWaalsContact O-SG 3.34Å; A82-W119 VanDerWaalsContact CB-NE1 3.33Å; A82-W123 HydrophobicContact CB-CZ2 4.14Å; A82-W162 HydrophobicContact CB-CZ2 3.86Å
83F97.8Very high95.5Very high47 Ų4742.1 Ų42.121%0.20623%0.232CC..Hα-helixtrans-58.6-50.4-178.2173-86.8000111.4W37 A40 L41 F44 G79 V80 I81 C86 V87W37-F83 AromaticContact CD1-CD2 3.43Å; W37-F83 VanDerWaalsContact CD1-CD2 3.43Å; W37-F83 AromaticContact CD1-CE2 3.76Å; W37-F83 AromaticContact CD1-CG 3.99Å; W37-F83 AromaticContact CE2-CE2 3.48Å; W37-F83 VanDerWaalsContact CE2-CE2 3.48Å; W37-F83 AromaticContact CE2-CZ 4Å; W37-F83 HydrophobicContact CG-CD2 4.47Å; W37-F83 AromaticContact CZ2-CE2 3.78Å; W37-F83 HydrophobicContact CZ2-CE2 3.78Å; W37-F83 HydrophobicContact CZ2-CZ 4Å; W37-F83 AromaticContact NE1-CD2 3.08Å; W37-F83 AromaticContact NE1-CE2 2.91Å; W37-F83 AromaticContact NE1-CG 3.75Å; W37-F83 AromaticContact NE1-CZ 3.43Å; A40-F83 HydrophobicContact CB-CB 4.33Å; L41-F83 HydrophobicContact CB-CD2 4.12Å; L41-F83 HydrophobicContact CB-CE2 4.35Å; L41-F83 HydrophobicContact CD1-CD2 4.35Å; L41-F83 HydrophobicContact CD1-CE2 4.06Å; F44-F83 HydrophobicContact CE1-CB 3.81Å; F44-F83 AromaticContact CE1-CD2 3.92Å; F44-F83 HydrophobicContact CE1-CD2 3.92Å; F44-F83 AromaticContact CE1-CG 3.89Å; F44-F83 HydrophobicContact CE1-CG 3.89Å; F44-F83 HydrophobicContact CZ-CD2 4.34Å; F44-F83 HydrophobicContact CZ-CG 4.42Å; G79-F83 WeakPolarHBondContact O-CB 3.35Å; G79-F83 PolarHBondContact O-N 3.22Å; V80-F83 WeakPolarHBondContact O-CB 3.36Å; V80-F83 PolarHBondContact O-N 2.88Å; I81-F83 VanDerWaalsContact C-N 3.32Å; I81-F83 PolarHBondContact O-N 3.47Å; F83-C86 PolarHBondContact O-N 2.87Å; F83-V87 HydrophobicContact CE1-CG2 4.43Å; F83-V87 WeakPolarHBondContact O-CG2 3.41Å; F83-V87 PolarHBondContact O-N 3.36Å; F83-V87 VanDerWaalsContact O-N 3.15Å
84L97.7Very high94.9Very high107 Ų10738.3 Ų38.356%0.5622%0.215SC*.Hα-helixtrans-65.2-41.4179-66.3175.9000111.9V80 I81 A82 V87 G88V80-L84 HydrophobicContact CG1-CD1 4.26Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 2.84Å; I81-L84 PolarHBondContact O-N 2.95Å; A82-L84 PolarHBondContact O-N 3.18Å; L84-V87 PolarHBondContact O-N 2.94Å; L84-G88 PolarHBondContact O-N 3.33Å
85A96.1Very high94.3Very high16 Ų1642 Ų4213%0.13223%0.23CC..Hα-helixtrans-62.9-42.5176.900000111.6I81 A82 V87 G88 F89 F115I81-A85 WeakPolarHBondContact O-CB 3.31Å; I81-A85 PolarHBondContact O-N 3.46Å; A82-A85 PolarHBondContact O-N 3Å; A85-V87 VanDerWaalsContact C-N 3.33Å; A85-V87 PolarHBondContact O-N 3.31Å; A85-G88 PolarHBondContact O-N 3.07Å; A85-F89 HydrophobicContact CB-CD2 4.25Å; A85-F89 HydrophobicContact CB-CE2 4.24Å; A85-F89 WeakPolarHBondContact O-CB 3.34Å; A85-F89 WeakPolarHBondContact O-CD2 3.12Å; A85-F89 PolarHBondContact O-N 3.23Å; A85-F115 HydrophobicContact CB-CD1 4.19Å; A85-F115 HydrophobicContact CB-CE1 3.31Å; A85-F115 HydrophobicContact CB-CE2 4.13Å; A85-F115 HydrophobicContact CB-CZ 3.27Å
86C95.4Very high93.7Very high1 Ų143.2 Ų43.21%0.00724%0.236CC..Hα-helixtrans-59.6-42.9174.8-75.30000111.9W37 A82 F83 L90W37-C86 HydrophobicContact CB-CB 3.75Å; W37-C86 HydrophobicContact CG-CB 4.08Å; A82-C86 WeakPolarHBondContact O-CB 3.37Å; A82-C86 PolarHBondContact O-N 2.82Å; A82-C86 PolarHBondContact O-SG 3.36Å; A82-C86 VanDerWaalsContact O-SG 3.34Å; F83-C86 PolarHBondContact O-N 2.87Å; C86-L90 VanDerWaalsContact O-CB 3.32Å; C86-L90 WeakPolarHBondContact O-CB 3.38Å; C86-L90 WeakPolarHBondContact O-CG 3.46Å; C86-L90 PolarHBondContact O-N 3.36Å
87V95.3Very high92.7Very high53 Ų5343.1 Ų43.132%0.32124%0.236SC..Hα-helixtrans-61.5-47.3174.9174.60000110.8W37 F83 L84 A85 L90 M91W37-V87 HydrophobicContact CZ2-CG2 4.49Å; F83-V87 HydrophobicContact CE1-CG2 4.43Å; F83-V87 WeakPolarHBondContact O-CG2 3.41Å; F83-V87 PolarHBondContact O-N 3.36Å; F83-V87 VanDerWaalsContact O-N 3.15Å; L84-V87 PolarHBondContact O-N 2.94Å; A85-V87 VanDerWaalsContact C-N 3.33Å; A85-V87 PolarHBondContact O-N 3.31Å; V87-L90 PolarHBondContact O-N 2.95Å; V87-M91 WeakPolarHBondContact O-CG 3.39Å; V87-M91 PolarHBondContact O-N 2.85Å
88G95.2Very high91.8Very high34 Ų3447.4 Ų47.435%0.35125%0.246SC..Hα-helixtrans-60.5-46.8178.300000112.7L84 A85 M91 L92L84-G88 PolarHBondContact O-N 3.33Å; A85-G88 PolarHBondContact O-N 3.07Å; G88-M91 PolarHBondContact O-N 3.17Å; G88-L92 WeakPolarHBondContact O-CG 3.36Å; G88-L92 PolarHBondContact O-N 2.69Å
89F93.2Very high90.8Very high24 Ų2449.1 Ų49.111%0.10525%0.254CS..Hα-helixtrans-69.9-32.5178.6-75.9-57.2000113.2R33 A85 L92 D93 D112 F115R33-F89 PolarHBondContact NH1-O 3.17Å; A85-F89 HydrophobicContact CB-CD2 4.25Å; A85-F89 HydrophobicContact CB-CE2 4.24Å; A85-F89 WeakPolarHBondContact O-CB 3.34Å; A85-F89 WeakPolarHBondContact O-CD2 3.12Å; A85-F89 PolarHBondContact O-N 3.23Å; F89-L92 HydrophobicContact CD1-CD1 3.92Å; F89-L92 HydrophobicContact CE1-CD1 4.29Å; F89-L92 PolarHBondContact O-N 3.32Å; F89-D93 PolarHBondContact O-N 3.38Å; F89-D112 HydrophobicContact CD1-CB 4.18Å; F89-D112 HydrophobicContact CE1-CB 3.92Å; F89-F115 HydrophobicContact CD2-CD1 4.48Å; F89-F115 HydrophobicContact CE2-CB 3.89Å; F89-F115 AromaticContact CE2-CD1 3.57Å; F89-F115 HydrophobicContact CE2-CD1 3.57Å; F89-F115 HydrophobicContact CE2-CD2 4.43Å; F89-F115 HydrophobicContact CE2-CE1 4.24Å; F89-F115 AromaticContact CE2-CG 3.69Å; F89-F115 HydrophobicContact CE2-CG 3.69Å; F89-F115 HydrophobicContact CZ-CB 3.79Å; F89-F115 HydrophobicContact CZ-CD1 4.35Å; F89-F115 HydrophobicContact CZ-CG 4.03Å
90L90.9Very high89.8Confident28 Ų2854.7 Ų54.715%0.14729%0.293CS..Hα-helixtrans-63.6-43170.1-78.7168.8000111.4T30 R33 V34 C86 V87 D93 I94T30-L90 HydrophobicContact CG2-CD2 4.01Å; R33-L90 HydrophobicContact CB-CD2 4.16Å; R33-L90 HydrophobicContact CG-CD1 4.48Å; R33-L90 HydrophobicContact CG-CD2 3.87Å; R33-L90 HydrophobicContact CG-CG 3.83Å; V34-L90 HydrophobicContact CG2-CD1 4.4Å; V34-L90 HydrophobicContact CG2-CD2 4.4Å; C86-L90 VanDerWaalsContact O-CB 3.32Å; C86-L90 WeakPolarHBondContact O-CB 3.38Å; C86-L90 WeakPolarHBondContact O-CG 3.46Å; C86-L90 PolarHBondContact O-N 3.36Å; V87-L90 PolarHBondContact O-N 2.95Å; L90-D93 PolarHBondContact O-N 2.95Å; L90-I94 WeakPolarHBondContact O-CG1 3.14Å; L90-I94 PolarHBondContact O-N 3.41Å; L90-I94 VanDerWaalsContact O-N 3.13Å
91M90.5Very high88.9Confident96 Ų9655.4 Ų55.447%0.47330%0.296SS..Hα-helixtrans-62.8-45.3174.5-71.8-64.7171.200110.9V87 G88 D93 I94 Y95V87-M91 WeakPolarHBondContact O-CG 3.39Å; V87-M91 PolarHBondContact O-N 2.85Å; G88-M91 PolarHBondContact O-N 3.17Å; M91-D93 VanDerWaalsContact C-N 3.31Å; M91-D93 PolarHBondContact O-N 2.85Å; M91-I94 WeakPolarHBondContact O-CB 3.36Å; M91-I94 PolarHBondContact O-N 3.2Å; M91-I94 HydrophobicContact SD-CD1 4.33Å; M91-Y95 HydrophobicContact CB-CD2 4.36Å; M91-Y95 HydrophobicContact CB-CE2 4.26Å; M91-Y95 WeakPolarHBondContact O-CD2 3.46Å; M91-Y95 PolarHBondContact O-N 3.39Å
92L89.6Confident88Confident59 Ų5954 Ų5431%0.30930%0.297SS..Hα-helixtrans-58.9-41.9175.3-72.4168.8000111.9G88 F89 I94 Y95 I96 I108G88-L92 WeakPolarHBondContact O-CG 3.36Å; G88-L92 PolarHBondContact O-N 2.69Å; F89-L92 HydrophobicContact CD1-CD1 3.92Å; F89-L92 HydrophobicContact CE1-CD1 4.29Å; F89-L92 PolarHBondContact O-N 3.32Å; L92-I94 PolarHBondContact O-N 3.1Å; L92-Y95 PolarHBondContact O-N 3.48Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 3.43Å; L92-I108 HydrophobicContact CB-CG2 4.25Å; L92-I108 HydrophobicContact CD1-CG2 4.22Å; L92-I108 HydrophobicContact CD2-CD1 4.02Å; L92-I108 HydrophobicContact CD2-CG1 4.35Å
93D86.8Confident87.3Confident17 Ų1758.8 Ų58.89%0.09132%0.319CS..Hα-helixtrans-60.3-34175.7-69.6-24.7000112.2F24 Q29 R33 F89 L90 M91 P97F24-D93 HydrophobicContact CE2-CB 3.75Å; F24-D93 HydrophobicContact CZ-CB 3.81Å; Q29-D93 PolarHBondContact NE2-OD1 3.01Å; Q29-D93 PolarHBondContact NE2-OD2 3.46Å; R33-D93 IonicContact CZ-OD2 3.82Å; R33-D93 IonicContact NE-OD2 2.69Å; R33-D93 IonicContact NH1-OD1 2.97Å; R33-D93 PolarHBondContact NH1-OD1 3.32Å; R33-D93 IonicContact NH1-OD2 2.85Å; R33-D93 PolarHBondContact NH1-OD2 2.88Å; F89-D93 PolarHBondContact O-N 3.38Å; L90-D93 PolarHBondContact O-N 2.95Å; M91-D93 VanDerWaalsContact C-N 3.31Å; M91-D93 PolarHBondContact O-N 2.85Å; D93-P97 WeakPolarHBondContact O-CD 3.11Å
94I85.1Confident86.7Confident46 Ų4660.1 Ų60.124%0.23633%0.329CS..Hα-helixtrans-71.3-37.7173.9-65.2165000111.2F19 F24 L90 M91 L92 P97 F98F19-I94 HydrophobicContact CE2-CG2 4.26Å; F19-I94 HydrophobicContact CZ-CG1 4.24Å; F19-I94 HydrophobicContact CZ-CG2 4.25Å; F24-I94 HydrophobicContact CE1-CD1 4.47Å; F24-I94 HydrophobicContact CE1-CG1 3.93Å; F24-I94 HydrophobicContact CE2-CG1 4.32Å; F24-I94 HydrophobicContact CZ-CG1 3.74Å; L90-I94 WeakPolarHBondContact O-CG1 3.14Å; L90-I94 PolarHBondContact O-N 3.41Å; L90-I94 VanDerWaalsContact O-N 3.13Å; M91-I94 WeakPolarHBondContact O-CB 3.36Å; M91-I94 PolarHBondContact O-N 3.2Å; M91-I94 HydrophobicContact SD-CD1 4.33Å; L92-I94 PolarHBondContact O-N 3.1Å; I94-P97 WeakPolarHBondContact O-CD 3.39Å; I94-F98 WeakPolarHBondContact O-CD2 3.19Å; I94-F98 WeakPolarHBondContact O-CE2 3.47Å
95Y84.4Confident86.1Confident141 Ų14155.4 Ų55.455%0.55330%0.303SS*.Hα-helixtrans-82.4-26.7-176.6-74-65.3000114.2M91 L92 P97 F98M91-Y95 HydrophobicContact CB-CD2 4.36Å; M91-Y95 HydrophobicContact CB-CE2 4.26Å; M91-Y95 WeakPolarHBondContact O-CD2 3.46Å; M91-Y95 PolarHBondContact O-N 3.39Å; L92-Y95 PolarHBondContact O-N 3.48Å; Y95-P97 VanDerWaalsContact C-CD 3.44Å; Y95-F98 WeakPolarHBondContact O-CB 3.32Å; Y95-F98 PolarHBondContact O-N 3.05Å
96I83.2Confident85.6Confident24 Ų2458 Ų5812%0.12331%0.311CS..G310 helixtrans-49.7-46.7-178-79.1164.4000113.5Y10 L92 F98 M99 R105 I108Y10-I96 WeakPolarHBondContact O-CG2 3.34Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 3.43Å; I96-F98 PolarHBondContact O-N 3.02Å; I96-F98 VanDerWaalsContact O-N 3.08Å; I96-M99 HydrophobicContact CB-CE 4.05Å; I96-M99 HydrophobicContact CG1-CE 3.51Å; I96-M99 PolarHBondContact O-N 3.2Å; I96-M99 VanDerWaalsContact O-N 3.14Å; I96-R105 HydrophobicContact CG2-CG 4.45Å; I96-R105 PolarHBondContact O-NE 3.16Å; I96-R105 PolarHBondContact O-NH1 3.43Å; I96-R105 PolarHBondContact O-NH2 3Å; I96-R105 VanDerWaalsContact O-NH2 3.16Å; I96-I108 HydrophobicContact CD1-CG2 3.85Å; I96-I108 HydrophobicContact CG1-CG2 4.31Å
97P78.5Confident85.4Confident32 Ų3264.6 Ų64.621%0.20834%0.337CS..G310 helixtrans-57.5-24.2179.1-25.835000114.7A13 L14 D93 I94 Y95 R105A13-P97 WeakPolarHBondContact CA-O 3.45Å; L14-P97 HydrophobicContact CD1-CB 4.2Å; L14-P97 PolarHBondContact N-O 3.02Å; D93-P97 WeakPolarHBondContact O-CD 3.11Å; I94-P97 WeakPolarHBondContact O-CD 3.39Å; Y95-P97 VanDerWaalsContact C-CD 3.44Å; P97-R105 PolarHBondContact O-NH2 3.25Å
98F78.6Confident85.2Confident122 Ų12263.5 Ų63.554%0.53533%0.329SS..G310 helixtrans-88.9-15.6-177.9-59.9-80.5000113.6F19 I94 Y95 I96 S100F19-F98 HydrophobicContact CB-CZ 4.26Å; I94-F98 WeakPolarHBondContact O-CD2 3.19Å; I94-F98 WeakPolarHBondContact O-CE2 3.47Å; Y95-F98 WeakPolarHBondContact O-CB 3.32Å; Y95-F98 PolarHBondContact O-N 3.05Å; I96-F98 PolarHBondContact O-N 3.02Å; I96-F98 VanDerWaalsContact O-N 3.08Å; F98-S100 PolarHBondContact O-N 3.42Å
99M77Confident84.9Confident45 Ų4562.3 Ų62.322%0.22232%0.315CS..  trans-77.7123-174.9-67.4-166.9-74.300111.7I96 D104 R105 I108I96-M99 HydrophobicContact CB-CE 4.05Å; I96-M99 HydrophobicContact CG1-CE 3.51Å; I96-M99 PolarHBondContact O-N 3.2Å; I96-M99 VanDerWaalsContact O-N 3.14Å; M99-D104 HydrophobicContact SD-CB 4.35Å; M99-R105 HydrophobicContact CB-CG 4.15Å; M99-R105 HydrophobicContact CE-CB 4.44Å; M99-R105 HydrophobicContact CE-CG 3.63Å; M99-R105 PolarHBondContact O-NE 3.38Å; M99-R105 PolarHBondContact O-NH2 2.96Å; M99-I108 HydrophobicContact CE-CD1 3.31Å; M99-I108 HydrophobicContact SD-CD1 3.77Å
100S75.5Confident84.9Confident117 Ų11766.2 Ų66.282%0.81834%0.335SS*.  trans-77.3-22.3176.253.20000113.7F98F98-S100 PolarHBondContact O-N 3.42Å
101N80.3Confident85.1Confident69 Ų6967.4 Ų67.437%0.36935%0.349SS..  trans-84.5116.9-174.9-172.85.1000112.6Q103 D104 R105N101-Q103 VanDerWaalsContact C-N 3.29Å; N101-Q103 PolarHBondContact O-N 2.91Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.36Å; N101-Q103 PolarHBondContact OD1-N 3.33Å; N101-D104 HydrophobicContact CB-CB 4.32Å; N101-D104 WeakPolarHBondContact CB-OD2 3.31Å; N101-D104 PolarHBondContact ND2-OD1 3.1Å; N101-D104 PolarHBondContact ND2-OD2 3.22Å; N101-R105 WeakPolarHBondContact O-CG 3.44Å; N101-R105 PolarHBondContact O-N 2.78Å
102A78.8Confident85.3Confident57 Ų5763 Ų6347%0.47133%0.327SS..Hα-helixtrans-66.2-30.1177.200000113K106A102-K106 PolarHBondContact O-N 2.91Å; A102-K106 VanDerWaalsContact O-N 3.1Å
103Q82.9Confident85.5Confident100 Ų10061.7 Ų61.747%0.46732%0.32SS..Hα-helixtrans-68-43.7-179.5-164.288-51.500111.2N101 R105 K106 Y107N101-Q103 VanDerWaalsContact C-N 3.29Å; N101-Q103 PolarHBondContact O-N 2.91Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.36Å; N101-Q103 PolarHBondContact OD1-N 3.33Å; Q103-R105 PolarHBondContact O-N 2.89Å; Q103-K106 WeakPolarHBondContact O-CB 3.42Å; Q103-K106 PolarHBondContact O-N 2.94Å; Q103-Y107 HydrophobicContact CG-CD2 4.07Å; Q103-Y107 HydrophobicContact CG-CE2 3.53Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.18Å; Q103-Y107 PolarHBondContact O-N 3.29Å
104D84.9Confident86Confident75 Ų7563 Ų6340%0.40134%0.338SS..Hα-helixtrans-65.3-41179.7-62.8-21.7000111.2M99 N101 K106 Y107 I108M99-D104 HydrophobicContact SD-CB 4.35Å; N101-D104 HydrophobicContact CB-CB 4.32Å; N101-D104 WeakPolarHBondContact CB-OD2 3.31Å; N101-D104 PolarHBondContact ND2-OD1 3.1Å; N101-D104 PolarHBondContact ND2-OD2 3.22Å; D104-K106 VanDerWaalsContact C-N 3.31Å; D104-K106 PolarHBondContact O-N 3.47Å; D104-Y107 PolarHBondContact O-N 3.32Å; D104-I108 WeakPolarHBondContact O-CG1 3.35Å; D104-I108 PolarHBondContact O-N 3.18Å
105R85.6Confident86.6Confident8 Ų863.4 Ų63.43%0.0334%0.338CS..Hα-helixtrans-59.3-41.4173.7-66.5173.8179-130.813.2111.8Y10 G11 I96 P97 M99 N101 Q103 I108 V109Y10-R105 HydrophobicContact CD1-CB 4.16Å; Y10-R105 HydrophobicContact CG-CB 4.16Å; Y10-R105 PolarHBondContact O-NH1 3.49Å; G11-R105 VanDerWaalsContact C-NH1 3.27Å; G11-R105 PolarHBondContact O-NH1 3.08Å; I96-R105 HydrophobicContact CG2-CG 4.45Å; I96-R105 PolarHBondContact O-NE 3.16Å; I96-R105 PolarHBondContact O-NH1 3.43Å; I96-R105 PolarHBondContact O-NH2 3Å; I96-R105 VanDerWaalsContact O-NH2 3.16Å; P97-R105 PolarHBondContact O-NH2 3.25Å; M99-R105 HydrophobicContact CB-CG 4.15Å; M99-R105 HydrophobicContact CE-CB 4.44Å; M99-R105 HydrophobicContact CE-CG 3.63Å; M99-R105 PolarHBondContact O-NE 3.38Å; M99-R105 PolarHBondContact O-NH2 2.96Å; N101-R105 WeakPolarHBondContact O-CG 3.44Å; N101-R105 PolarHBondContact O-N 2.78Å; Q103-R105 PolarHBondContact O-N 2.89Å; R105-I108 PolarHBondContact O-N 3.14Å; R105-V109 WeakPolarHBondContact O-CG2 3.43Å; R105-V109 PolarHBondContact O-N 3.27Å
106K86.8Confident87.2Confident69 Ų6956.8 Ų56.830%0.331%0.312SS..Hα-helixtrans-62.6-45.3175.7177.5179.1176.8-178.30112.1Y10 A102 Q103 D104 I108 V109 M110Y10-K106 HydrophobicContact CE1-CB 3.97Å; Y10-K106 HydrophobicContact CE1-CG 4.44Å; Y10-K106 HydrophobicContact CE2-CB 4.48Å; A102-K106 PolarHBondContact O-N 2.91Å; A102-K106 VanDerWaalsContact O-N 3.1Å; Q103-K106 WeakPolarHBondContact O-CB 3.42Å; Q103-K106 PolarHBondContact O-N 2.94Å; D104-K106 VanDerWaalsContact C-N 3.31Å; D104-K106 PolarHBondContact O-N 3.47Å; K106-I108 VanDerWaalsContact C-N 3.32Å; K106-I108 PolarHBondContact O-N 3.48Å; K106-V109 PolarHBondContact O-N 3.43Å; K106-M110 WeakPolarHBondContact O-CB 3.47Å; K106-M110 PolarHBondContact O-N 3.37Å
107Y89.8Confident87.9Confident141 Ų14156.9 Ų56.955%0.55332%0.32SS*.Hα-helixtrans-62-40.7177.2-75.1-62.3000112.1Q103 D104 M110 A111Q103-Y107 HydrophobicContact CG-CD2 4.07Å; Q103-Y107 HydrophobicContact CG-CE2 3.53Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.18Å; Q103-Y107 PolarHBondContact O-N 3.29Å; D104-Y107 PolarHBondContact O-N 3.32Å; Y107-M110 PolarHBondContact O-N 3.29Å; Y107-A111 WeakPolarHBondContact O-CB 3.39Å; Y107-A111 PolarHBondContact O-N 3.23Å
108I90.8Very high88.8Confident30 Ų3057.8 Ų57.815%0.15433%0.33CS..Hα-helixtrans-63.6-44.5176.5-72.2160.1000111.2L92 I96 M99 D104 R105 K106 M110 A111 D112L92-I108 HydrophobicContact CB-CG2 4.25Å; L92-I108 HydrophobicContact CD1-CG2 4.22Å; L92-I108 HydrophobicContact CD2-CD1 4.02Å; L92-I108 HydrophobicContact CD2-CG1 4.35Å; I96-I108 HydrophobicContact CD1-CG2 3.85Å; I96-I108 HydrophobicContact CG1-CG2 4.31Å; M99-I108 HydrophobicContact CE-CD1 3.31Å; M99-I108 HydrophobicContact SD-CD1 3.77Å; D104-I108 WeakPolarHBondContact O-CG1 3.35Å; D104-I108 PolarHBondContact O-N 3.18Å; R105-I108 PolarHBondContact O-N 3.14Å; K106-I108 VanDerWaalsContact C-N 3.32Å; K106-I108 PolarHBondContact O-N 3.48Å; I108-M110 VanDerWaalsContact C-N 3.33Å; I108-M110 PolarHBondContact O-N 3.04Å; I108-A111 PolarHBondContact O-N 3.47Å; I108-D112 WeakPolarHBondContact O-CB 3.38Å; I108-D112 PolarHBondContact O-N 3.15Å
109V90.8Very high89.7Confident9 Ų953.2 Ų53.26%0.05531%0.309CS..Hα-helixtrans-64.1-38.8176.6172.90000111.5Y10 R105 K106 D112 L113 R172 F173Y10-V109 HydrophobicContact CD1-CG2 4.01Å; Y10-V109 HydrophobicContact CE1-CB 4.28Å; Y10-V109 HydrophobicContact CE1-CG2 4.14Å; R105-V109 WeakPolarHBondContact O-CG2 3.43Å; R105-V109 PolarHBondContact O-N 3.27Å; K106-V109 PolarHBondContact O-N 3.43Å; V109-D112 PolarHBondContact O-N 2.93Å; V109-L113 WeakPolarHBondContact O-CB 3.39Å; V109-L113 PolarHBondContact O-N 2.89Å; V109-R172 HydrophobicContact CG1-CB 3.98Å; V109-F173 HydrophobicContact CG1-CB 3.99Å
110M91.9Very high90.8Very high106 Ų10652.4 Ų52.452%0.52231%0.307SS..Hα-helixtrans-67.3-40.2176.3-173.7179.6167.500111.9K106 Y107 I108 L113 G114 F173K106-M110 WeakPolarHBondContact O-CB 3.47Å; K106-M110 PolarHBondContact O-N 3.37Å; Y107-M110 PolarHBondContact O-N 3.29Å; I108-M110 VanDerWaalsContact C-N 3.33Å; I108-M110 PolarHBondContact O-N 3.04Å; M110-L113 PolarHBondContact O-N 2.95Å; M110-G114 PolarHBondContact O-N 3.16Å; M110-F173 HydrophobicContact CB-CD2 4.49Å; M110-F173 HydrophobicContact CB-CE2 4.37Å; M110-F173 HydrophobicContact CG-CE2 4.41Å
111A94.7Very high91.8Very high53 Ų5353.2 Ų53.244%0.43830%0.296SS..Hα-helixtrans-64.5-44174.800000111.5Y107 I108 L113 G114 F115Y107-A111 WeakPolarHBondContact O-CB 3.39Å; Y107-A111 PolarHBondContact O-N 3.23Å; I108-A111 PolarHBondContact O-N 3.47Å; A111-L113 PolarHBondContact O-N 3.29Å; A111-G114 PolarHBondContact O-N 3.3Å; A111-F115 WeakPolarHBondContact O-CB 3.36Å; A111-F115 PolarHBondContact O-N 2.85Å
112D94.4Very high92.7Very high3 Ų352.3 Ų52.32%0.01629%0.291CS..Hα-helixtrans-58.5-46.3174.4-178.823.1000111.4R33 F89 I108 V109 S116 R172R33-D112 IonicContact CZ-OD1 3.7Å; R33-D112 IonicContact CZ-OD2 3.84Å; R33-D112 IonicContact NH1-OD2 2.99Å; R33-D112 IonicContact NH2-OD1 2.93Å; R33-D112 PolarHBondContact NH2-OD1 3.23Å; R33-D112 IonicContact NH2-OD2 2.59Å; R33-D112 PolarHBondContact NH2-OD2 3.37Å; F89-D112 HydrophobicContact CD1-CB 4.18Å; F89-D112 HydrophobicContact CE1-CB 3.92Å; I108-D112 WeakPolarHBondContact O-CB 3.38Å; I108-D112 PolarHBondContact O-N 3.15Å; V109-D112 PolarHBondContact O-N 2.93Å; D112-S116 WeakPolarHBondContact O-CB 3.33Å; D112-S116 PolarHBondContact O-N 3.34Å; D112-S116 PolarHBondContact O-OG 3.01Å; D112-S116 PolarHBondContact OD1-OG 3Å; D112-R172 IonicContact OD2-CZ 3.51Å; D112-R172 IonicContact OD2-NH1 3.88Å; D112-R172 PolarHBondContact OD2-NH1 3.36Å; D112-R172 IonicContact OD2-NH2 2.63Å
113L95.2Very high93.6Very high31 Ų3149.6 Ų49.616%0.16227%0.268CS..Hα-helixtrans-61.2-51.417717558.2000112.2V109 M110 A111 G117 T166 A169 L170 F173V109-L113 WeakPolarHBondContact O-CB 3.39Å; V109-L113 PolarHBondContact O-N 2.89Å; M110-L113 PolarHBondContact O-N 2.95Å; A111-L113 PolarHBondContact O-N 3.29Å; L113-G117 PolarHBondContact O-N 3.34Å; L113-T166 HydrophobicContact CD1-CG2 3.89Å; L113-A169 HydrophobicContact CB-CB 3.92Å; L113-A169 HydrophobicContact CD1-CB 4.15Å; L113-L170 HydrophobicContact CD1-CB 3.84Å; L113-L170 HydrophobicContact CD1-CD1 4.44Å; L113-L170 HydrophobicContact CD2-CD1 4.04Å; L113-F173 HydrophobicContact CD2-CB 4.02Å; L113-F173 HydrophobicContact CD2-CD1 4.24Å; L113-F173 HydrophobicContact CD2-CG 4.03Å
114G96.8Very high94.4Very high46 Ų4649.7 Ų49.747%0.47427%0.267SS..Hα-helixtrans-64.4-46.3-178.200000112.1M110 A111 A118M110-G114 PolarHBondContact O-N 3.16Å; A111-G114 PolarHBondContact O-N 3.3Å; G114-A118 WeakPolarHBondContact O-CB 3.34Å; G114-A118 PolarHBondContact O-N 2.81Å
115F97.4Very high95Very high54 Ų5448.2 Ų48.224%0.23726%0.261CS..Hα-helixtrans-63.6-48.4178.1-169.9-82.9000110.9I81 A85 F89 A111 G117 A118 W119 W162I81-F115 HydrophobicContact CG2-CZ 4.24Å; A85-F115 HydrophobicContact CB-CD1 4.19Å; A85-F115 HydrophobicContact CB-CE1 3.31Å; A85-F115 HydrophobicContact CB-CE2 4.13Å; A85-F115 HydrophobicContact CB-CZ 3.27Å; F89-F115 HydrophobicContact CD2-CD1 4.48Å; F89-F115 HydrophobicContact CE2-CB 3.89Å; F89-F115 AromaticContact CE2-CD1 3.57Å; F89-F115 HydrophobicContact CE2-CD1 3.57Å; F89-F115 HydrophobicContact CE2-CD2 4.43Å; F89-F115 HydrophobicContact CE2-CE1 4.24Å; F89-F115 AromaticContact CE2-CG 3.69Å; F89-F115 HydrophobicContact CE2-CG 3.69Å; F89-F115 HydrophobicContact CZ-CB 3.79Å; F89-F115 HydrophobicContact CZ-CD1 4.35Å; F89-F115 HydrophobicContact CZ-CG 4.03Å; A111-F115 WeakPolarHBondContact O-CB 3.36Å; A111-F115 PolarHBondContact O-N 2.85Å; F115-G117 VanDerWaalsContact C-N 3.33Å; F115-G117 PolarHBondContact O-N 2.85Å; F115-A118 PolarHBondContact O-N 3.34Å; F115-W119 HydrophobicContact CD1-CD2 4.5Å; F115-W119 HydrophobicContact CD1-CE3 4.27Å; F115-W119 HydrophobicContact CD2-CE3 4.31Å; F115-W119 HydrophobicContact CE1-CB 4.3Å; F115-W119 AromaticContact CE1-CD2 3.66Å; F115-W119 HydrophobicContact CE1-CD2 3.66Å; F115-W119 AromaticContact CE1-CE3 3.64Å; F115-W119 HydrophobicContact CE1-CE3 3.64Å; F115-W119 AromaticContact CE1-CG 3.93Å; F115-W119 HydrophobicContact CE1-CG 3.93Å; F115-W119 HydrophobicContact CE1-CZ3 4.31Å; F115-W119 HydrophobicContact CE2-CD2 4.47Å; F115-W119 AromaticContact CE2-CE3 3.7Å; F115-W119 HydrophobicContact CE2-CE3 3.7Å; F115-W119 HydrophobicContact CE2-CH2 4.4Å; F115-W119 AromaticContact CE2-CZ3 3.65Å; F115-W119 HydrophobicContact CE2-CZ3 3.65Å; F115-W119 AromaticContact CZ-CD2 3.65Å; F115-W119 HydrophobicContact CZ-CD2 3.65Å; F115-W119 AromaticContact CZ-CE3 3.31Å; F115-W119 HydrophobicContact CZ-CE3 3.31Å; F115-W119 HydrophobicContact CZ-CG 4.39Å; F115-W119 HydrophobicContact CZ-CH2 4.05Å; F115-W119 HydrophobicContact CZ-CZ2 4.33Å; F115-W119 AromaticContact CZ-CZ3 3.53Å; F115-W119 HydrophobicContact CZ-CZ3 3.53Å; F115-W119 WeakPolarHBondContact O-CB 3.02Å; F115-W119 PolarHBondContact O-N 2.59Å; F115-W162 AromaticContact CD1-CH2 3.92Å; F115-W162 HydrophobicContact CD1-CH2 3.92Å; F115-W162 AromaticContact CD1-CZ3 3.7Å; F115-W162 HydrophobicContact CD1-CZ3 3.7Å; F115-W162 AromaticContact CE1-CH2 3.54Å; F115-W162 HydrophobicContact CE1-CH2 3.54Å; F115-W162 AromaticContact CE1-CZ3 3.79Å; F115-W162 HydrophobicContact CE1-CZ3 3.79Å
116S97Very high95.6Very high1 Ų147.9 Ų47.91%0.00726%0.26CS..Hα-helixtrans-62.2-40.3-178.8-64.20000112.5D112 W119 T120 T166D112-S116 WeakPolarHBondContact O-CB 3.33Å; D112-S116 PolarHBondContact O-N 3.34Å; D112-S116 PolarHBondContact O-OG 3.01Å; D112-S116 PolarHBondContact OD1-OG 3Å; S116-W119 PolarHBondContact O-N 2.93Å; S116-T120 PolarHBondContact O-N 3.02Å; S116-T120 PolarHBondContact O-OG1 2.84Å; S116-T166 WeakPolarHBondContact CB-OG1 3.28Å; S116-T166 PolarHBondContact O-OG1 3.26Å
117G97.7Very high96.2Very high27 Ų2747 Ų4728%0.27826%0.256SS..Hα-helixtrans-65.2-47176.700000112.2L113 F115 W119 T120 F121 T166L113-G117 PolarHBondContact O-N 3.34Å; F115-G117 VanDerWaalsContact C-N 3.33Å; F115-G117 PolarHBondContact O-N 2.85Å; G117-W119 VanDerWaalsContact C-N 3.31Å; G117-W119 PolarHBondContact O-N 2.92Å; G117-T120 WeakPolarHBondContact O-CB 3.48Å; G117-T120 PolarHBondContact O-N 2.75Å; G117-F121 PolarHBondContact O-N 3.32Å; G117-T166 WeakPolarHBondContact CA-OG1 3.4Å; G117-T166 PolarHBondContact N-OG1 2.88Å; G117-T166 VanDerWaalsContact N-OG1 3.14Å
118A98.4Very high96.6Very high51 Ų5142.6 Ų42.642%0.42125%0.245SC..Hα-helixtrans-60.4-42.417600000111.6G114 F115 T120 F121 L122G114-A118 WeakPolarHBondContact O-CB 3.34Å; G114-A118 PolarHBondContact O-N 2.81Å; F115-A118 PolarHBondContact O-N 3.34Å; A118-T120 PolarHBondContact O-N 2.67Å; A118-F121 PolarHBondContact O-N 2.81Å; A118-L122 WeakPolarHBondContact O-CG 3.05Å; A118-L122 PolarHBondContact O-N 3.46Å
119W97.9Very high96.8Very high25 Ų2543.4 Ų43.410%0.09525%0.252CS..Hα-helixtrans-68.9-33.5-179.4-125.3-102.5000113.2I78 I81 A82 F115 S116 G117 F121 L122 W123 W162I78-W119 HydrophobicContact CB-CZ2 4.2Å; I78-W119 PolarHBondContact O-NE1 3.31Å; I81-W119 HydrophobicContact CB-CH2 3.76Å; I81-W119 HydrophobicContact CB-CZ2 3.57Å; I81-W119 HydrophobicContact CD1-CH2 4.28Å; I81-W119 HydrophobicContact CG2-CH2 3.29Å; I81-W119 HydrophobicContact CG2-CZ2 3.53Å; I81-W119 HydrophobicContact CG2-CZ3 4.17Å; A82-W119 VanDerWaalsContact CB-NE1 3.33Å; F115-W119 HydrophobicContact CD1-CD2 4.5Å; F115-W119 HydrophobicContact CD1-CE3 4.27Å; F115-W119 HydrophobicContact CD2-CE3 4.31Å; F115-W119 HydrophobicContact CE1-CB 4.3Å; F115-W119 AromaticContact CE1-CD2 3.66Å; F115-W119 HydrophobicContact CE1-CD2 3.66Å; F115-W119 AromaticContact CE1-CE3 3.64Å; F115-W119 HydrophobicContact CE1-CE3 3.64Å; F115-W119 AromaticContact CE1-CG 3.93Å; F115-W119 HydrophobicContact CE1-CG 3.93Å; F115-W119 HydrophobicContact CE1-CZ3 4.31Å; F115-W119 HydrophobicContact CE2-CD2 4.47Å; F115-W119 AromaticContact CE2-CE3 3.7Å; F115-W119 HydrophobicContact CE2-CE3 3.7Å; F115-W119 HydrophobicContact CE2-CH2 4.4Å; F115-W119 AromaticContact CE2-CZ3 3.65Å; F115-W119 HydrophobicContact CE2-CZ3 3.65Å; F115-W119 AromaticContact CZ-CD2 3.65Å; F115-W119 HydrophobicContact CZ-CD2 3.65Å; F115-W119 AromaticContact CZ-CE3 3.31Å; F115-W119 HydrophobicContact CZ-CE3 3.31Å; F115-W119 HydrophobicContact CZ-CG 4.39Å; F115-W119 HydrophobicContact CZ-CH2 4.05Å; F115-W119 HydrophobicContact CZ-CZ2 4.33Å; F115-W119 AromaticContact CZ-CZ3 3.53Å; F115-W119 HydrophobicContact CZ-CZ3 3.53Å; F115-W119 WeakPolarHBondContact O-CB 3.02Å; F115-W119 PolarHBondContact O-N 2.59Å; S116-W119 PolarHBondContact O-N 2.93Å; G117-W119 VanDerWaalsContact C-N 3.31Å; G117-W119 PolarHBondContact O-N 2.92Å; W119-F121 VanDerWaalsContact C-N 3.3Å; W119-F121 PolarHBondContact O-N 3.4Å; W119-L122 HydrophobicContact CD2-CD1 4.24Å; W119-L122 HydrophobicContact CE3-CD1 3.86Å; W119-L122 HydrophobicContact CH2-CD1 4.13Å; W119-L122 HydrophobicContact CZ2-CD1 4.48Å; W119-L122 HydrophobicContact CZ3-CD1 3.82Å; W119-L122 PolarHBondContact O-N 2.98Å; W119-W123 AromaticContact CD1-CD1 3.59Å; W119-W123 AromaticContact CD1-NE1 3.33Å; W119-W123 VanDerWaalsContact CD1-NE1 3.33Å; W119-W123 AromaticContact NE1-NE1 3.83Å; W119-W123 WeakPolarHBondContact O-CB 3.46Å; W119-W123 PolarHBondContact O-N 3.02Å; W119-W162 HydrophobicContact CB-CD2 3.79Å; W119-W162 HydrophobicContact CB-CE3 3.56Å; W119-W162 HydrophobicContact CB-CG 4.42Å; W119-W162 HydrophobicContact CB-CH2 4.23Å; W119-W162 HydrophobicContact CB-CZ2 4.43Å; W119-W162 HydrophobicContact CB-CZ3 3.8Å; W119-W162 AromaticContact CD1-CE2 3.68Å; W119-W162 AromaticContact CD1-CZ2 3.68Å; W119-W162 HydrophobicContact CG-CD2 4.29Å; W119-W162 HydrophobicContact CG-CE3 4.29Å; W119-W162 HydrophobicContact CG-CH2 4.16Å; W119-W162 HydrophobicContact CG-CZ2 4.16Å; W119-W162 HydrophobicContact CG-CZ3 4.22Å
120T98.4Very high97.1Very high28 Ų2843 Ų4317%0.17225%0.249CC..Hα-helixtrans-56.7-46.9171.4-55.60000110.9S116 G117 A118 W123 F124 I159 W162 G163 T166S116-T120 PolarHBondContact O-N 3.02Å; S116-T120 PolarHBondContact O-OG1 2.84Å; G117-T120 WeakPolarHBondContact O-CB 3.48Å; G117-T120 PolarHBondContact O-N 2.75Å; A118-T120 PolarHBondContact O-N 2.67Å; T120-W123 PolarHBondContact O-N 3.48Å; T120-F124 PolarHBondContact O-N 2.76Å; T120-F124 VanDerWaalsContact O-N 3.1Å; T120-I159 HydrophobicContact CG2-CG2 4.11Å; T120-W162 WeakPolarHBondContact OG1-CB 3.11Å; T120-W162 PolarHBondContact OG1-O 2.95Å; T120-G163 PolarHBondContact OG1-N 3.43Å; T120-T166 PolarHBondContact OG1-OG1 2.88Å
121F98.4Very high97.2Very high135 Ų13540.2 Ų40.259%0.59224%0.238SC*.Hα-helixtrans-65.9-43.6177.6175.4-102.2000112.2G117 A118 W119 W123 F124 V125G117-F121 PolarHBondContact O-N 3.32Å; A118-F121 PolarHBondContact O-N 2.81Å; W119-F121 VanDerWaalsContact C-N 3.3Å; W119-F121 PolarHBondContact O-N 3.4Å; F121-W123 VanDerWaalsContact C-N 3.35Å; F121-W123 PolarHBondContact O-N 3.1Å; F121-F124 WeakPolarHBondContact O-CB 3.39Å; F121-F124 PolarHBondContact O-N 3.49Å; F121-F124 VanDerWaalsContact O-N 3.14Å; F121-V125 HydrophobicContact CD1-CG2 4.31Å; F121-V125 HydrophobicContact CE1-CG2 3.81Å; F121-V125 HydrophobicContact CE2-CG2 4.1Å; F121-V125 HydrophobicContact CZ-CG2 3.69Å; F121-V125 WeakPolarHBondContact O-CG2 3.42Å; F121-V125 PolarHBondContact O-N 3.33Å
122L98.3Very high97.3Very high50 Ų5040.5 Ų40.526%0.26224%0.237SC..Hα-helixtrans-63.6-38.9178-68.2175.9000112.3Y74 A118 W119 F124 V125 C126Y74-L122 PolarHBondContact OH-O 3.47Å; Y74-L122 VanDerWaalsContact OH-O 3.07Å; A118-L122 WeakPolarHBondContact O-CG 3.05Å; A118-L122 PolarHBondContact O-N 3.46Å; W119-L122 HydrophobicContact CD2-CD1 4.24Å; W119-L122 HydrophobicContact CE3-CD1 3.86Å; W119-L122 HydrophobicContact CH2-CD1 4.13Å; W119-L122 HydrophobicContact CZ2-CD1 4.48Å; W119-L122 HydrophobicContact CZ3-CD1 3.82Å; W119-L122 PolarHBondContact O-N 2.98Å; L122-F124 VanDerWaalsContact C-N 3.31Å; L122-F124 PolarHBondContact O-N 3.47Å; L122-V125 PolarHBondContact O-N 3.14Å; L122-C126 WeakPolarHBondContact O-CB 3.34Å; L122-C126 PolarHBondContact O-N 3.44Å
123W98.4Very high97.3Very high0 Ų042.5 Ų42.50%025%0.246CC..Hα-helixtrans-63.3-37.6172.4-83.7118.1000112.5A40 V43 I78 A82 W119 T120 F121 C126 F127 S155 S158 I159 W162A40-W123 HydrophobicContact CB-CZ2 4.22Å; V43-W123 HydrophobicContact CB-CH2 3.84Å; V43-W123 HydrophobicContact CB-CZ3 4.21Å; V43-W123 HydrophobicContact CG1-CH2 3.8Å; V43-W123 HydrophobicContact CG1-CZ3 3.87Å; V43-W123 HydrophobicContact CG2-CH2 3.81Å; V43-W123 HydrophobicContact CG2-CZ3 3.87Å; I78-W123 HydrophobicContact CD1-CZ3 4.43Å; I78-W123 HydrophobicContact CG1-CD2 4.42Å; I78-W123 HydrophobicContact CG1-CE3 4.3Å; I78-W123 HydrophobicContact CG1-CH2 4.29Å; I78-W123 HydrophobicContact CG1-CZ2 4.42Å; I78-W123 HydrophobicContact CG1-CZ3 4.22Å; A82-W123 HydrophobicContact CB-CZ2 4.14Å; W119-W123 AromaticContact CD1-CD1 3.59Å; W119-W123 AromaticContact CD1-NE1 3.33Å; W119-W123 VanDerWaalsContact CD1-NE1 3.33Å; W119-W123 AromaticContact NE1-NE1 3.83Å; W119-W123 WeakPolarHBondContact O-CB 3.46Å; W119-W123 PolarHBondContact O-N 3.02Å; T120-W123 PolarHBondContact O-N 3.48Å; F121-W123 VanDerWaalsContact C-N 3.35Å; F121-W123 PolarHBondContact O-N 3.1Å; W123-C126 HydrophobicContact CE3-CB 4.29Å; W123-C126 WeakPolarHBondContact O-CB 3.48Å; W123-C126 PolarHBondContact O-N 2.87Å; W123-F127 WeakPolarHBondContact O-CB 3.48Å; W123-F127 PolarHBondContact O-N 3.01Å; W123-S155 WeakPolarHBondContact CZ3-OG 3.13Å; W123-S158 VanDerWaalsContact CD2-CB 3.41Å; W123-I159 HydrophobicContact CB-CG1 3.86Å; W123-W162 AromaticContact CD1-CD1 3.31Å; W123-W162 AromaticContact CD1-CG 3.86Å; W123-W162 AromaticContact CD1-NE1 3.59Å; W123-W162 AromaticContact NE1-CD1 3.35Å; W123-W162 AromaticContact NE1-CE2 3.87Å; W123-W162 AromaticContact NE1-NE1 3.11Å; W123-W162 VanDerWaalsContact NE1-NE1 3.11Å
124F98.5Very high97.1Very high102 Ų10243.2 Ų43.245%0.44725%0.246SC..Hα-helixtrans-63.4-46.3174.9172.8-102.3000111.5T120 F121 L122 C126 F127 C128 I159T120-F124 PolarHBondContact O-N 2.76Å; T120-F124 VanDerWaalsContact O-N 3.1Å; F121-F124 WeakPolarHBondContact O-CB 3.39Å; F121-F124 PolarHBondContact O-N 3.49Å; F121-F124 VanDerWaalsContact O-N 3.14Å; L122-F124 VanDerWaalsContact C-N 3.31Å; L122-F124 PolarHBondContact O-N 3.47Å; F124-C126 VanDerWaalsContact C-N 3.33Å; F124-C126 PolarHBondContact O-N 3.43Å; F124-F127 PolarHBondContact O-N 3.38Å; F124-C128 PolarHBondContact O-N 3.42Å; F124-C128 PolarHBondContact O-SG 2.92Å; F124-I159 HydrophobicContact CB-CD1 4.11Å; F124-I159 HydrophobicContact CB-CG1 4.27Å; F124-I159 HydrophobicContact CB-CG2 4.42Å; F124-I159 HydrophobicContact CD2-CD1 4.16Å
125V98.4Very high96.9Very high44 Ų4445.3 Ų45.327%0.26725%0.254SS..Hα-helixtrans-61.2-42.9174.5175.50000110.8Y74 F121 L122 C128 V129Y74-V125 HydrophobicContact CE1-CG1 4.08Å; Y74-V125 WeakPolarHBondContact OH-CB 3.41Å; Y74-V125 WeakPolarHBondContact OH-CG1 3.35Å; F121-V125 HydrophobicContact CD1-CG2 4.31Å; F121-V125 HydrophobicContact CE1-CG2 3.81Å; F121-V125 HydrophobicContact CE2-CG2 4.1Å; F121-V125 HydrophobicContact CZ-CG2 3.69Å; F121-V125 WeakPolarHBondContact O-CG2 3.42Å; F121-V125 PolarHBondContact O-N 3.33Å; L122-V125 PolarHBondContact O-N 3.14Å; V125-C128 PolarHBondContact O-N 2.97Å; V125-V129 HydrophobicContact CG1-CG2 4.22Å; V125-V129 WeakPolarHBondContact O-CB 3.44Å; V125-V129 VanDerWaalsContact O-CG2 3.31Å; V125-V129 WeakPolarHBondContact O-CG2 3.31Å; V125-V129 PolarHBondContact O-N 3.31Å
126C98.1Very high96.5Very high0 Ų048.3 Ų48.30%027%0.268CS..Hα-helixtrans-57.8-50.4175.4-176.10000112.1Y74 I78 L122 W123 F124 C128 V129 L130Y74-C126 HydrophobicContact CD1-CB 4.29Å; Y74-C126 VanDerWaalsContact CE1-CA 3.44Å; Y74-C126 HydrophobicContact CE1-CB 3.68Å; I78-C126 HydrophobicContact CD1-CB 3.93Å; I78-C126 VanDerWaalsContact CD1-SG 3.52Å; I78-C126 HydrophobicContact CG1-CB 4.32Å; L122-C126 WeakPolarHBondContact O-CB 3.34Å; L122-C126 PolarHBondContact O-N 3.44Å; W123-C126 HydrophobicContact CE3-CB 4.29Å; W123-C126 WeakPolarHBondContact O-CB 3.48Å; W123-C126 PolarHBondContact O-N 2.87Å; F124-C126 VanDerWaalsContact C-N 3.33Å; F124-C126 PolarHBondContact O-N 3.43Å; C126-C128 VanDerWaalsContact C-N 3.35Å; C126-C128 PolarHBondContact O-N 2.86Å; C126-V129 PolarHBondContact O-N 3.42Å; C126-L130 WeakPolarHBondContact O-CB 3.15Å; C126-L130 VanDerWaalsContact O-CG 3.27Å; C126-L130 WeakPolarHBondContact O-CG 3.22Å; C126-L130 PolarHBondContact O-N 3.3Å
127F98.2Very high96Very high52 Ų5249 Ų4923%0.22827%0.273CS..Hα-helixtrans-56.5-47.7175.7171.3-105000112.1W123 F124 V129 L130 T131 I152 F156 I159W123-F127 WeakPolarHBondContact O-CB 3.48Å; W123-F127 PolarHBondContact O-N 3.01Å; F124-F127 PolarHBondContact O-N 3.38Å; F127-V129 PolarHBondContact O-N 3Å; F127-L130 PolarHBondContact O-N 2.88Å; F127-T131 HydrophobicContact CD2-CG2 3.89Å; F127-T131 HydrophobicContact CE1-CG2 4.32Å; F127-T131 HydrophobicContact CE2-CG2 3.47Å; F127-T131 VanDerWaalsContact CE2-CG2 3.47Å; F127-T131 HydrophobicContact CG-CG2 4.48Å; F127-T131 HydrophobicContact CZ-CG2 3.73Å; F127-T131 WeakPolarHBondContact O-CB 3.36Å; F127-T131 VanDerWaalsContact O-CG2 3.31Å; F127-T131 WeakPolarHBondContact O-CG2 3.48Å; F127-T131 PolarHBondContact O-N 3.23Å; F127-T131 PolarHBondContact O-OG1 2.86Å; F127-I152 HydrophobicContact CD2-CG2 4.01Å; F127-I152 HydrophobicContact CE2-CG2 3.76Å; F127-F156 HydrophobicContact CD1-CD2 4.47Å; F127-F156 HydrophobicContact CD2-CB 3.67Å; F127-F156 HydrophobicContact CD2-CD2 4.43Å; F127-F156 HydrophobicContact CE1-CD2 4.2Å; F127-F156 HydrophobicContact CE2-CB 3.74Å; F127-F156 HydrophobicContact CE2-CD2 4.15Å; F127-F156 HydrophobicContact CE2-CG 4.28Å; F127-F156 HydrophobicContact CG-CB 4.34Å; F127-F156 HydrophobicContact CZ-CB 4.46Å; F127-F156 HydrophobicContact CZ-CD2 4.02Å; F127-I159 HydrophobicContact CB-CD1 3.91Å; F127-I159 HydrophobicContact CD1-CD1 4.32Å; F127-I159 HydrophobicContact CG-CD1 4.22Å
128C98Very high94.6Very high47 Ų4755.5 Ų55.532%0.31830%0.3SS..Hα-helixtrans-62.3-42.8178.8-70.30000112.4F124 V125 C126 T131 S132F124-C128 PolarHBondContact O-N 3.42Å; F124-C128 PolarHBondContact O-SG 2.92Å; V125-C128 PolarHBondContact O-N 2.97Å; C126-C128 VanDerWaalsContact C-N 3.35Å; C126-C128 PolarHBondContact O-N 2.86Å; C128-T131 WeakPolarHBondContact CA-OG1 3.27Å; C128-T131 PolarHBondContact O-OG1 3.33Å; C128-T131 VanDerWaalsContact O-OG1 3.04Å; C128-S132 WeakPolarHBondContact O-CB 3.45Å; C128-S132 PolarHBondContact O-N 3.36Å
129V96.9Very high93Very high48 Ų4857.4 Ų57.429%0.29130%0.303SS..Hα-helixtrans-65.5-49.8177.51700000110.3A71 V125 C126 F127 T131 S132 Q133A71-V129 HydrophobicContact CB-CG1 4.23Å; V125-V129 HydrophobicContact CG1-CG2 4.22Å; V125-V129 WeakPolarHBondContact O-CB 3.44Å; V125-V129 VanDerWaalsContact O-CG2 3.31Å; V125-V129 WeakPolarHBondContact O-CG2 3.31Å; V125-V129 PolarHBondContact O-N 3.31Å; C126-V129 PolarHBondContact O-N 3.42Å; F127-V129 PolarHBondContact O-N 3Å; V129-T131 PolarHBondContact O-N 3.33Å; V129-S132 PolarHBondContact O-N 3.31Å; V129-Q133 HydrophobicContact CG1-CG 4.29Å; V129-Q133 VanDerWaalsContact O-CG 3.28Å; V129-Q133 WeakPolarHBondContact O-CG 3.17Å; V129-Q133 PolarHBondContact O-N 2.9Å
130L95.7Very high91.3Very high0 Ų059.2 Ų59.20%032%0.317CS..Hα-helixtrans-63.3-43-177.6-69-179.4000112.2F65 A75 C126 F127 Q133 W134 T151 I152F65-L130 HydrophobicContact CD1-CB 4.48Å; F65-L130 HydrophobicContact CD1-CD2 4.04Å; F65-L130 HydrophobicContact CD2-CD2 3.66Å; F65-L130 HydrophobicContact CE1-CB 4.21Å; F65-L130 HydrophobicContact CE1-CD2 4.05Å; F65-L130 HydrophobicContact CE2-CD2 3.68Å; F65-L130 HydrophobicContact CG-CD2 3.86Å; F65-L130 HydrophobicContact CZ-CD2 3.88Å; A75-L130 HydrophobicContact CB-CD1 4.16Å; A75-L130 HydrophobicContact CB-CD2 4.08Å; C126-L130 WeakPolarHBondContact O-CB 3.15Å; C126-L130 VanDerWaalsContact O-CG 3.27Å; C126-L130 WeakPolarHBondContact O-CG 3.22Å; C126-L130 PolarHBondContact O-N 3.3Å; F127-L130 PolarHBondContact O-N 2.88Å; L130-Q133 PolarHBondContact O-N 3.37Å; L130-W134 WeakPolarHBondContact O-CB 3.31Å; L130-W134 PolarHBondContact O-N 2.63Å; L130-T151 HydrophobicContact CD1-CG2 3.75Å; L130-I152 HydrophobicContact CB-CG1 4Å
131T95.4Very high89.3Confident47 Ų4766.3 Ų66.329%0.28835%0.352SS..Hα-helixtrans-64.7-42176.548.80000112.4F127 C128 V129 W134 S135 I152F127-T131 HydrophobicContact CD2-CG2 3.89Å; F127-T131 HydrophobicContact CE1-CG2 4.32Å; F127-T131 HydrophobicContact CE2-CG2 3.47Å; F127-T131 VanDerWaalsContact CE2-CG2 3.47Å; F127-T131 HydrophobicContact CG-CG2 4.48Å; F127-T131 HydrophobicContact CZ-CG2 3.73Å; F127-T131 WeakPolarHBondContact O-CB 3.36Å; F127-T131 VanDerWaalsContact O-CG2 3.31Å; F127-T131 WeakPolarHBondContact O-CG2 3.48Å; F127-T131 PolarHBondContact O-N 3.23Å; F127-T131 PolarHBondContact O-OG1 2.86Å; C128-T131 WeakPolarHBondContact CA-OG1 3.27Å; C128-T131 PolarHBondContact O-OG1 3.33Å; C128-T131 VanDerWaalsContact O-OG1 3.04Å; V129-T131 PolarHBondContact O-N 3.33Å; T131-W134 PolarHBondContact O-N 2.97Å; T131-S135 PolarHBondContact O-N 3.38Å; T131-I152 HydrophobicContact CG2-CG2 3.52Å
132S95.8Very high87.5Confident59 Ų5963.2 Ų63.241%0.41335%0.351SS..Hα-helixtrans-63.5-46.4176.2-178.10000111.7C128 V129 W134 S135 H136C128-S132 WeakPolarHBondContact O-CB 3.45Å; C128-S132 PolarHBondContact O-N 3.36Å; V129-S132 PolarHBondContact O-N 3.31Å; S132-W134 VanDerWaalsContact C-N 3.33Å; S132-W134 PolarHBondContact O-N 3.01Å; S132-S135 PolarHBondContact O-N 3.2Å; S132-S135 PolarHBondContact O-OG 3.43Å; S132-H136 PolarHBondContact O-CD2 3.5Å; S132-H136 PolarHBondContact O-N 2.96Å
133Q93.8Very high85.9Confident45 Ų4562 Ų6221%0.2134%0.344CS..Hα-helixtrans-67.4-36.7177.2-62.7-60.4-11.900111.6F65 N66 A71 V129 L130 S135 H136 T137F65-Q133 HydrophobicContact CB-CB 3.84Å; N66-Q133 HydrophobicContact CB-CB 4.03Å; N66-Q133 WeakPolarHBondContact CB-O 3.01Å; N66-Q133 PolarHBondContact ND2-OE1 3.3Å; A71-Q133 HydrophobicContact CB-CG 4.06Å; V129-Q133 HydrophobicContact CG1-CG 4.29Å; V129-Q133 VanDerWaalsContact O-CG 3.28Å; V129-Q133 WeakPolarHBondContact O-CG 3.17Å; V129-Q133 PolarHBondContact O-N 2.9Å; L130-Q133 PolarHBondContact O-N 3.37Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 3.38Å; Q133-H136 PolarHBondContact O-N 3.48Å; Q133-T137 PolarHBondContact O-N 3.04Å; Q133-T137 PolarHBondContact O-OG1 3.28Å
134W92.3Very high84.7Confident46 Ų4663.6 Ų63.617%0.17436%0.355CS..Hα-helixtrans-61.9-40.2176.2-174.9-110.2000112.5F65 L130 T131 S132 H136 T137 V140 E145 A148 I152F65-W134 HydrophobicContact CD1-CB 4.2Å; F65-W134 HydrophobicContact CD1-CE3 4.24Å; F65-W134 HydrophobicContact CE1-CB 4.37Å; F65-W134 HydrophobicContact CE1-CE3 4.25Å; L130-W134 WeakPolarHBondContact O-CB 3.31Å; L130-W134 PolarHBondContact O-N 2.63Å; T131-W134 PolarHBondContact O-N 2.97Å; S132-W134 VanDerWaalsContact C-N 3.33Å; S132-W134 PolarHBondContact O-N 3.01Å; W134-H136 PolarHBondContact O-N 3.42Å; W134-T137 HydrophobicContact CZ3-CG2 4.46Å; W134-T137 WeakPolarHBondContact O-CB 3.39Å; W134-T137 PolarHBondContact O-N 2.94Å; W134-T137 VanDerWaalsContact O-N 3.09Å; W134-V140 HydrophobicContact CH2-CG1 3.81Å; W134-V140 HydrophobicContact CZ2-CG1 3.8Å; W134-E145 HydrophobicContact CH2-CB 4.48Å; W134-E145 HydrophobicContact CH2-CG 4.39Å; W134-E145 HydrophobicContact CZ2-CG 4.11Å; W134-A148 HydrophobicContact CD2-CB 4.22Å; W134-A148 HydrophobicContact CE3-CB 3.61Å; W134-A148 HydrophobicContact CH2-CB 3.57Å; W134-A148 HydrophobicContact CZ2-CB 4.17Å; W134-A148 HydrophobicContact CZ3-CB 3.25Å; W134-I152 HydrophobicContact CB-CD1 3.72Å; W134-I152 HydrophobicContact CD2-CD1 4.3Å; W134-I152 HydrophobicContact CG-CD1 3.68Å
135S91.4Very high83.9Confident90 Ų9061.9 Ų61.963%0.62935%0.348SS*.Hα-helixtrans-66.8-24.3178.671.80000113.9T131 S132 Q133T131-S135 PolarHBondContact O-N 3.38Å; S132-S135 PolarHBondContact O-N 3.2Å; S132-S135 PolarHBondContact O-OG 3.43Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 3.38Å
136H89.8Confident83.3Confident117 Ų11766 Ų6654%0.54237%0.368SS..THydrogen-bonded Turntrans-90.2-1.1175.3-78.8-83.3000113.7S132 Q133 W134 L138S132-H136 PolarHBondContact O-CD2 3.5Å; S132-H136 PolarHBondContact O-N 2.96Å; Q133-H136 PolarHBondContact O-N 3.48Å; W134-H136 PolarHBondContact O-N 3.42Å; H136-L138 PolarHBondContact O-N 3.44Å
137T85.8Confident82.9Confident16 Ų1666.5 Ų66.510%0.09837%0.373CS..  trans-80.4104.5-179.8-57.50000110N66 Q133 W134 F143N66-T137 PolarHBondContact N-OG1 3.32Å; Q133-T137 PolarHBondContact O-N 3.04Å; Q133-T137 PolarHBondContact O-OG1 3.28Å; W134-T137 HydrophobicContact CZ3-CG2 4.46Å; W134-T137 WeakPolarHBondContact O-CB 3.39Å; W134-T137 PolarHBondContact O-N 2.94Å; W134-T137 VanDerWaalsContact O-N 3.09Å; T137-F143 HydrophobicContact CG2-CD2 4.36Å; T137-F143 HydrophobicContact CG2-CE2 4.33Å
138L68.3Low82.6Confident163 Ų16364 Ų6485%0.85336%0.362SS*.  trans-81.3-21-171.7-68.2167.6000114.7H136H136-L138 PolarHBondContact O-N 3.44Å
139D65.8Low82.4Confident92 Ų9268.2 Ų68.249%0.49237%0.371SS..  trans-106.243.2-168-90.7-26.5000113.6I141 A142 F143D139-I141 PolarHBondContact O-N 3.19Å; D139-A142 PolarHBondContact O-N 3.27Å; D139-F143 HydrophobicContact CB-CD2 4.36Å; D139-F143 HydrophobicContact CB-CE2 3.53Å; D139-F143 HydrophobicContact CB-CZ 4.38Å; D139-F143 WeakPolarHBondContact O-CD2 3.48Å; D139-F143 WeakPolarHBondContact O-CE2 3.38Å
140V61.6Low82.3Confident62 Ų6267.2 Ų67.238%0.37637%0.368SS..THydrogen-bonded Turntrans-55.4-17.3-173.6-115.50000116W134W134-V140 HydrophobicContact CH2-CG1 3.81Å; W134-V140 HydrophobicContact CZ2-CG1 3.8Å
141I56.6Low82.3Confident178 Ų17867.2 Ų67.291%0.91337%0.368SS*.THydrogen-bonded Turntrans-77.7-20.8-176.5-57.3175000112.2D139D139-I141 PolarHBondContact O-N 3.19Å
142A60.7Low82.3Confident70 Ų7065.9 Ų65.958%0.57936%0.359SS*.SBendtrans-101.9-5.7-177.800000114.5D139D139-A142 PolarHBondContact O-N 3.27Å
143F65.6Low82.4Confident23 Ų2364.9 Ų64.910%0.10135%0.354CS..SBendtrans-108.3152.7-170.9-62.6-77.3000113.5V53 I64 T137 D139 E145V53-F143 HydrophobicContact CB-CD1 4.48Å; V53-F143 HydrophobicContact CG2-CD1 3.12Å; V53-F143 HydrophobicContact CG2-CE1 3.09Å; V53-F143 HydrophobicContact CG2-CG 4.38Å; V53-F143 HydrophobicContact CG2-CZ 4.34Å; I64-F143 HydrophobicContact CB-CD1 4.39Å; I64-F143 HydrophobicContact CG2-CD1 4.02Å; T137-F143 HydrophobicContact CG2-CD2 4.36Å; T137-F143 HydrophobicContact CG2-CE2 4.33Å; D139-F143 HydrophobicContact CB-CD2 4.36Å; D139-F143 HydrophobicContact CB-CE2 3.53Å; D139-F143 HydrophobicContact CB-CZ 4.38Å; D139-F143 WeakPolarHBondContact O-CD2 3.48Å; D139-F143 WeakPolarHBondContact O-CE2 3.38Å; F143-E145 VanDerWaalsContact C-N 3.25Å; F143-E145 PolarHBondContact O-N 2.8Å
144P72.6Confident82.6Confident35 Ų3565.5 Ų65.523%0.22736%0.356CS..  trans-64.981.3167.8-1730.7000111.4E50 V53 D146 A147 A148E50-P144 HydrophobicContact CB-CB 4.16Å; E50-P144 HydrophobicContact CB-CG 4.19Å; V53-P144 HydrophobicContact CG1-CG 4.2Å; P144-D146 PolarHBondContact O-N 2.68Å; P144-A147 HydrophobicContact CB-CB 4.07Å; P144-A147 PolarHBondContact O-N 3.2Å; P144-A148 PolarHBondContact O-N 3.16Å
145E81.9Confident82.9Confident65 Ų6563.3 Ų63.330%0.30435%0.348SS..Hα-helixtrans-57.2-38-178.4172.8165.5-135.500112.2W134 F143 A147 A148 R149W134-E145 HydrophobicContact CH2-CB 4.48Å; W134-E145 HydrophobicContact CH2-CG 4.39Å; W134-E145 HydrophobicContact CZ2-CG 4.11Å; F143-E145 VanDerWaalsContact C-N 3.25Å; F143-E145 PolarHBondContact O-N 2.8Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.44Å; E145-A148 PolarHBondContact O-N 3.27Å; E145-R149 VanDerWaalsContact CD-NE 3.29Å; E145-R149 HydrophobicContact CG-CG 4.13Å; E145-R149 VanDerWaalsContact CG-NE 3.32Å; E145-R149 WeakPolarHBondContact O-CB 3.31Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.49Å; E145-R149 PolarHBondContact O-N 2.95Å; E145-R149 IonicContact OE1-CZ 3Å; E145-R149 IonicContact OE1-NE 3.69Å; E145-R149 PolarHBondContact OE1-NE 3.43Å; E145-R149 IonicContact OE1-NH2 3.8Å; E145-R149 PolarHBondContact OE1-NH2 3.43Å; E145-R149 IonicContact OE2-CZ 3.73Å; E145-R149 IonicContact OE2-NH2 3.54Å
146D85.9Confident83.2Confident130 Ų13064 Ų6470%0.69534%0.34SS*.Hα-helixtrans-63.7-39.6-179.8-69.2-23.8000112P144 A150P144-D146 PolarHBondContact O-N 2.68Å; D146-A150 WeakPolarHBondContact O-CB 3.36Å; D146-A150 PolarHBondContact O-N 3.28Å
147A89.2Confident83.6Confident12 Ų1263 Ų6310%0.09933%0.334CS..Hα-helixtrans-67.6-41.6177.900000111.5E50 P144 E145 T151E50-A147 HydrophobicContact CB-CB 3.71Å; E50-A147 HydrophobicContact CG-CB 4.41Å; P144-A147 HydrophobicContact CB-CB 4.07Å; P144-A147 PolarHBondContact O-N 3.2Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.44Å; A147-T151 WeakPolarHBondContact O-CB 3.2Å; A147-T151 PolarHBondContact O-N 2.89Å; A147-T151 PolarHBondContact O-OG1 3.39Å
148A91.8Very high84.2Confident0 Ų062.3 Ų62.30%033%0.329CS..Hα-helixtrans-62.2-49.617600000111.6I64 F65 W134 P144 E145 T151 I152I64-A148 HydrophobicContact CD1-CB 3.76Å; F65-A148 HydrophobicContact CE1-CB 4.19Å; F65-A148 HydrophobicContact CZ-CB 4.17Å; W134-A148 HydrophobicContact CD2-CB 4.22Å; W134-A148 HydrophobicContact CE3-CB 3.61Å; W134-A148 HydrophobicContact CH2-CB 3.57Å; W134-A148 HydrophobicContact CZ2-CB 4.17Å; W134-A148 HydrophobicContact CZ3-CB 3.25Å; P144-A148 PolarHBondContact O-N 3.16Å; E145-A148 PolarHBondContact O-N 3.27Å; A148-T151 WeakPolarHBondContact O-CB 3.48Å; A148-T151 PolarHBondContact O-N 3.19Å; A148-I152 WeakPolarHBondContact O-CG1 3.38Å; A148-I152 PolarHBondContact O-N 3.47Å
149R92.9Very high85.6Confident134 Ų13456 Ų5651%0.50630%0.297SS..Hα-helixtrans-63.1-43.2179.8-72.9177.5175.7-168.2-1.9111.7E145 I152 A153E145-R149 VanDerWaalsContact CD-NE 3.29Å; E145-R149 HydrophobicContact CG-CG 4.13Å; E145-R149 VanDerWaalsContact CG-NE 3.32Å; E145-R149 WeakPolarHBondContact O-CB 3.31Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.49Å; E145-R149 PolarHBondContact O-N 2.95Å; E145-R149 IonicContact OE1-CZ 3Å; E145-R149 IonicContact OE1-NE 3.69Å; E145-R149 PolarHBondContact OE1-NE 3.43Å; E145-R149 IonicContact OE1-NH2 3.8Å; E145-R149 PolarHBondContact OE1-NH2 3.43Å; E145-R149 IonicContact OE2-CZ 3.73Å; E145-R149 IonicContact OE2-NH2 3.54Å; R149-I152 PolarHBondContact O-N 2.93Å; R149-A153 VanDerWaalsContact O-CB 3.32Å; R149-A153 WeakPolarHBondContact O-CB 3.4Å; R149-A153 PolarHBondContact O-N 3.48Å
150A94.7Very high87.1Confident27 Ų2754.2 Ų54.222%0.22329%0.294CS..Hα-helixtrans-59-51174.300000110.5D146 I152 A153 F154D146-A150 WeakPolarHBondContact O-CB 3.36Å; D146-A150 PolarHBondContact O-N 3.28Å; A150-I152 VanDerWaalsContact C-N 3.31Å; A150-I152 PolarHBondContact O-N 2.95Å; A150-A153 PolarHBondContact O-N 3.15Å; A150-A153 VanDerWaalsContact O-N 3.16Å; A150-F154 HydrophobicContact CB-CD2 4.16Å; A150-F154 HydrophobicContact CB-CE2 4.27Å; A150-F154 WeakPolarHBondContact O-CB 3.43Å; A150-F154 WeakPolarHBondContact O-CD2 3.47Å; A150-F154 PolarHBondContact O-N 2.86Å
151T96.1Very high88.8Confident0 Ų051.9 Ų51.90%028%0.28CS..Hα-helixtrans-54.6-46.6178.8-57.10000111.6V43 C46 I47 F65 L130 A147 A148 S155V43-T151 HydrophobicContact CG1-CG2 3.97Å; C46-T151 WeakPolarHBondContact CB-OG1 3.31Å; I47-T151 HydrophobicContact CD1-CG2 3.67Å; I47-T151 HydrophobicContact CG1-CG2 3.8Å; F65-T151 HydrophobicContact CE2-CG2 4.22Å; F65-T151 HydrophobicContact CZ-CG2 4.09Å; L130-T151 HydrophobicContact CD1-CG2 3.75Å; A147-T151 WeakPolarHBondContact O-CB 3.2Å; A147-T151 PolarHBondContact O-N 2.89Å; A147-T151 PolarHBondContact O-OG1 3.39Å; A148-T151 WeakPolarHBondContact O-CB 3.48Å; A148-T151 PolarHBondContact O-N 3.19Å; T151-S155 VanDerWaalsContact O-CB 3.31Å; T151-S155 WeakPolarHBondContact O-CB 3.35Å; T151-S155 PolarHBondContact O-N 2.74Å; T151-S155 PolarHBondContact O-OG 3.02Å
152I96.7Very high90.8Very high20 Ų2043.5 Ų43.510%0.10324%0.237CC..Hα-helixtrans-62.7-49.5177-68.1166000111.3F65 F127 L130 T131 W134 A148 R149 A150 S155 F156F65-I152 HydrophobicContact CE1-CD1 3.98Å; F65-I152 HydrophobicContact CE1-CG1 3.97Å; F65-I152 HydrophobicContact CZ-CG1 4.38Å; F127-I152 HydrophobicContact CD2-CG2 4.01Å; F127-I152 HydrophobicContact CE2-CG2 3.76Å; L130-I152 HydrophobicContact CB-CG1 4Å; T131-I152 HydrophobicContact CG2-CG2 3.52Å; W134-I152 HydrophobicContact CB-CD1 3.72Å; W134-I152 HydrophobicContact CD2-CD1 4.3Å; W134-I152 HydrophobicContact CG-CD1 3.68Å; A148-I152 WeakPolarHBondContact O-CG1 3.38Å; A148-I152 PolarHBondContact O-N 3.47Å; R149-I152 PolarHBondContact O-N 2.93Å; A150-I152 VanDerWaalsContact C-N 3.31Å; A150-I152 PolarHBondContact O-N 2.95Å; I152-S155 WeakPolarHBondContact O-CB 2.92Å; I152-S155 PolarHBondContact O-N 3.35Å; I152-F156 PolarHBondContact O-N 2.86Å
153A97.6Very high92.5Very high37 Ų3741.5 Ų41.531%0.30622%0.223SC..Hα-helixtrans-64.3-45.3-176.400000112.1R149 A150 S155 F156 F157R149-A153 VanDerWaalsContact O-CB 3.32Å; R149-A153 WeakPolarHBondContact O-CB 3.4Å; R149-A153 PolarHBondContact O-N 3.48Å; A150-A153 PolarHBondContact O-N 3.15Å; A150-A153 VanDerWaalsContact O-N 3.16Å; A153-S155 VanDerWaalsContact C-N 3.31Å; A153-S155 PolarHBondContact O-N 2.86Å; A153-F156 WeakPolarHBondContact O-CB 3.31Å; A153-F156 PolarHBondContact O-N 3.43Å; A153-F157 HydrophobicContact CB-CE2 4.46Å; A153-F157 WeakPolarHBondContact O-CD2 3.49Å; A153-F157 WeakPolarHBondContact O-CG 3.36Å; A153-F157 PolarHBondContact O-N 3.27Å
154F97.8Very high94Very high58 Ų5843.9 Ų43.925%0.25424%0.236SC..Hα-helixtrans-70.1-28.4177.7-74.5-71.9000112.6F39 V42 V43 A150 F157 S158F39-F154 HydrophobicContact CB-CD1 4.42Å; F39-F154 AromaticContact CD1-CD1 3.5Å; F39-F154 HydrophobicContact CD1-CD1 3.5Å; F39-F154 AromaticContact CD1-CE1 3.82Å; F39-F154 HydrophobicContact CD1-CE1 3.82Å; F39-F154 AromaticContact CE1-CD1 3.95Å; F39-F154 HydrophobicContact CE1-CD1 3.95Å; F39-F154 AromaticContact CE1-CE1 3.91Å; F39-F154 HydrophobicContact CE1-CE1 3.91Å; F39-F154 HydrophobicContact CG-CD1 4.09Å; V42-F154 HydrophobicContact CB-CD2 4.22Å; V42-F154 HydrophobicContact CB-CG 4.24Å; V42-F154 HydrophobicContact CG1-CB 4.42Å; V42-F154 HydrophobicContact CG1-CD1 4.49Å; V42-F154 HydrophobicContact CG1-CD2 3.35Å; V42-F154 HydrophobicContact CG1-CE2 3.65Å; V42-F154 HydrophobicContact CG1-CG 3.85Å; V42-F154 HydrophobicContact CG1-CZ 4.32Å; V43-F154 HydrophobicContact CG2-CB 3.75Å; A150-F154 HydrophobicContact CB-CD2 4.16Å; A150-F154 HydrophobicContact CB-CE2 4.27Å; A150-F154 WeakPolarHBondContact O-CB 3.43Å; A150-F154 WeakPolarHBondContact O-CD2 3.47Å; A150-F154 PolarHBondContact O-N 2.86Å; F154-F157 HydrophobicContact CD1-CD2 4.25Å; F154-S158 WeakPolarHBondContact O-CB 3.06Å; F154-S158 PolarHBondContact O-N 3.33Å; F154-S158 PolarHBondContact O-OG 3.48Å
155S97.7Very high95.2Very high0 Ų042.2 Ų42.20%023%0.225CC..Hα-helixtrans-64.6-42.9168.9-59.30000111.2W123 T151 I152 A153 S158 I159W123-S155 WeakPolarHBondContact CZ3-OG 3.13Å; T151-S155 VanDerWaalsContact O-CB 3.31Å; T151-S155 WeakPolarHBondContact O-CB 3.35Å; T151-S155 PolarHBondContact O-N 2.74Å; T151-S155 PolarHBondContact O-OG 3.02Å; I152-S155 WeakPolarHBondContact O-CB 2.92Å; I152-S155 PolarHBondContact O-N 3.35Å; A153-S155 VanDerWaalsContact C-N 3.31Å; A153-S155 PolarHBondContact O-N 2.86Å; S155-S158 WeakPolarHBondContact O-CB 3.19Å; S155-S158 PolarHBondContact O-N 2.85Å; S155-I159 PolarHBondContact O-N 2.98Å
156F98Very high95.9Very high106 Ų10640.5 Ų40.547%0.46522%0.219SC..Hα-helixtrans-61.8-48174.8175.4-102.1000112.3F127 I152 A153 S158 I159F127-F156 HydrophobicContact CD1-CD2 4.47Å; F127-F156 HydrophobicContact CD2-CB 3.67Å; F127-F156 HydrophobicContact CD2-CD2 4.43Å; F127-F156 HydrophobicContact CE1-CD2 4.2Å; F127-F156 HydrophobicContact CE2-CB 3.74Å; F127-F156 HydrophobicContact CE2-CD2 4.15Å; F127-F156 HydrophobicContact CE2-CG 4.28Å; F127-F156 HydrophobicContact CG-CB 4.34Å; F127-F156 HydrophobicContact CZ-CB 4.46Å; F127-F156 HydrophobicContact CZ-CD2 4.02Å; I152-F156 PolarHBondContact O-N 2.86Å; A153-F156 WeakPolarHBondContact O-CB 3.31Å; A153-F156 PolarHBondContact O-N 3.43Å; F156-S158 PolarHBondContact O-N 3.46Å; F156-I159 HydrophobicContact CD2-CD1 4.23Å; F156-I159 VanDerWaalsContact O-CB 3.31Å; F156-I159 WeakPolarHBondContact O-CB 3.46Å; F156-I159 PolarHBondContact O-N 2.85Å; F156-I159 VanDerWaalsContact O-N 3.1Å
157F97.9Very high96.4Very high96 Ų9642.2 Ų42.242%0.42122%0.217SC..Hα-helixtrans-63.1-32.6177.6-62.9-37.3000112.6F39 A153 F154 I159 A160 T161F39-F157 HydrophobicContact CD2-CB 3.93Å; F39-F157 HydrophobicContact CE2-CB 3.63Å; F39-F157 HydrophobicContact CZ-CB 4.19Å; A153-F157 HydrophobicContact CB-CE2 4.46Å; A153-F157 WeakPolarHBondContact O-CD2 3.49Å; A153-F157 WeakPolarHBondContact O-CG 3.36Å; A153-F157 PolarHBondContact O-N 3.27Å; F154-F157 HydrophobicContact CD1-CD2 4.25Å; F157-I159 VanDerWaalsContact C-N 3.28Å; F157-I159 PolarHBondContact O-N 3.4Å; F157-A160 PolarHBondContact O-N 2.86Å; F157-A160 VanDerWaalsContact O-N 3.17Å; F157-T161 PolarHBondContact O-N 3.29Å; F157-T161 VanDerWaalsContact O-N 3.07Å
158S97.9Very high96.6Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-61.1-35.4174.1-64.30000112.3F39 W123 F154 S155 F156 A160 T161 W162F39-S158 VanDerWaalsContact CB-OG 3.3Å; F39-S158 WeakPolarHBondContact CB-OG 3.4Å; W123-S158 VanDerWaalsContact CD2-CB 3.41Å; F154-S158 WeakPolarHBondContact O-CB 3.06Å; F154-S158 PolarHBondContact O-N 3.33Å; F154-S158 PolarHBondContact O-OG 3.48Å; S155-S158 WeakPolarHBondContact O-CB 3.19Å; S155-S158 PolarHBondContact O-N 2.85Å; F156-S158 PolarHBondContact O-N 3.46Å; S158-A160 VanDerWaalsContact C-N 3.3Å; S158-A160 PolarHBondContact O-N 3.46Å; S158-T161 PolarHBondContact O-N 3.07Å; S158-T161 PolarHBondContact O-OG1 2.99Å; S158-W162 WeakPolarHBondContact O-CB 3.32Å; S158-W162 PolarHBondContact O-N 3.35Å
159I98.3Very high96.6Very high32 Ų3244.5 Ų44.516%0.16423%0.225CC..Hα-helixtrans-56.8-48.2174.7-54.6164.8000110.1T120 W123 F124 F127 S155 F156 F157 G163T120-I159 HydrophobicContact CG2-CG2 4.11Å; W123-I159 HydrophobicContact CB-CG1 3.86Å; F124-I159 HydrophobicContact CB-CD1 4.11Å; F124-I159 HydrophobicContact CB-CG1 4.27Å; F124-I159 HydrophobicContact CB-CG2 4.42Å; F124-I159 HydrophobicContact CD2-CD1 4.16Å; F127-I159 HydrophobicContact CB-CD1 3.91Å; F127-I159 HydrophobicContact CD1-CD1 4.32Å; F127-I159 HydrophobicContact CG-CD1 4.22Å; S155-I159 PolarHBondContact O-N 2.98Å; F156-I159 HydrophobicContact CD2-CD1 4.23Å; F156-I159 VanDerWaalsContact O-CB 3.31Å; F156-I159 WeakPolarHBondContact O-CB 3.46Å; F156-I159 PolarHBondContact O-N 2.85Å; F156-I159 VanDerWaalsContact O-N 3.1Å; F157-I159 VanDerWaalsContact C-N 3.28Å; F157-I159 PolarHBondContact O-N 3.4Å; I159-G163 PolarHBondContact O-N 3.23Å
160A97.3Very high96.6Very high54 Ų5441.6 Ų41.645%0.44622%0.219SC..Hα-helixtrans-65.3-46.1-178.600000111.7F157 S158 G163 I164F157-A160 PolarHBondContact O-N 2.86Å; F157-A160 VanDerWaalsContact O-N 3.17Å; S158-A160 VanDerWaalsContact C-N 3.3Å; S158-A160 PolarHBondContact O-N 3.46Å; A160-G163 PolarHBondContact O-N 3.07Å; A160-I164 VanDerWaalsContact O-CG1 3.26Å; A160-I164 WeakPolarHBondContact O-CG1 3.48Å; A160-I164 PolarHBondContact O-N 3.19Å
161T97.5Very high96.4Very high12 Ų1241.1 Ų41.17%0.07422%0.217CC..Hα-helixtrans-68.7-40.5-177.758.60000112.5V32 L35 S36 F39 F157 S158 I164 L165V32-T161 HydrophobicContact CG1-CG2 4.4Å; V32-T161 VanDerWaalsContact CG1-O 3.29Å; V32-T161 WeakPolarHBondContact CG1-O 3.2Å; L35-T161 HydrophobicContact CB-CG2 4.3Å; S36-T161 WeakPolarHBondContact OG-CB 3.36Å; S36-T161 PolarHBondContact OG-OG1 3.29Å; F39-T161 HydrophobicContact CD2-CG2 3.93Å; F39-T161 HydrophobicContact CE2-CG2 3.49Å; F39-T161 VanDerWaalsContact CE2-CG2 3.49Å; F157-T161 PolarHBondContact O-N 3.29Å; F157-T161 VanDerWaalsContact O-N 3.07Å; S158-T161 PolarHBondContact O-N 3.07Å; S158-T161 PolarHBondContact O-OG1 2.99Å; T161-I164 PolarHBondContact O-N 3.06Å; T161-L165 WeakPolarHBondContact O-CG 3.37Å; T161-L165 PolarHBondContact O-N 3.04Å
162W98.1Very high96Very high3 Ų343.3 Ų43.31%0.01123%0.225CC..Hα-helixtrans-67-36.1173.6-76.991.8000112.1A82 F115 W119 T120 W123 S158 L165 T166A82-W162 HydrophobicContact CB-CZ2 3.86Å; F115-W162 AromaticContact CD1-CH2 3.92Å; F115-W162 HydrophobicContact CD1-CH2 3.92Å; F115-W162 AromaticContact CD1-CZ3 3.7Å; F115-W162 HydrophobicContact CD1-CZ3 3.7Å; F115-W162 AromaticContact CE1-CH2 3.54Å; F115-W162 HydrophobicContact CE1-CH2 3.54Å; F115-W162 AromaticContact CE1-CZ3 3.79Å; F115-W162 HydrophobicContact CE1-CZ3 3.79Å; W119-W162 HydrophobicContact CB-CD2 3.79Å; W119-W162 HydrophobicContact CB-CE3 3.56Å; W119-W162 HydrophobicContact CB-CG 4.42Å; W119-W162 HydrophobicContact CB-CH2 4.23Å; W119-W162 HydrophobicContact CB-CZ2 4.43Å; W119-W162 HydrophobicContact CB-CZ3 3.8Å; W119-W162 AromaticContact CD1-CE2 3.68Å; W119-W162 AromaticContact CD1-CZ2 3.68Å; W119-W162 HydrophobicContact CG-CD2 4.29Å; W119-W162 HydrophobicContact CG-CE3 4.29Å; W119-W162 HydrophobicContact CG-CH2 4.16Å; W119-W162 HydrophobicContact CG-CZ2 4.16Å; W119-W162 HydrophobicContact CG-CZ3 4.22Å; T120-W162 WeakPolarHBondContact OG1-CB 3.11Å; T120-W162 PolarHBondContact OG1-O 2.95Å; W123-W162 AromaticContact CD1-CD1 3.31Å; W123-W162 AromaticContact CD1-CG 3.86Å; W123-W162 AromaticContact CD1-NE1 3.59Å; W123-W162 AromaticContact NE1-CD1 3.35Å; W123-W162 AromaticContact NE1-CE2 3.87Å; W123-W162 AromaticContact NE1-NE1 3.11Å; W123-W162 VanDerWaalsContact NE1-NE1 3.11Å; S158-W162 WeakPolarHBondContact O-CB 3.32Å; S158-W162 PolarHBondContact O-N 3.35Å; W162-L165 HydrophobicContact CD2-CD1 4.47Å; W162-L165 HydrophobicContact CE3-CD1 4.28Å; W162-L165 PolarHBondContact O-N 3.45Å; W162-T166 WeakPolarHBondContact O-CB 3.46Å; W162-T166 PolarHBondContact O-N 2.87Å; W162-T166 PolarHBondContact O-OG1 3.47Å
163G97.8Very high95.6Very high27 Ų2744.9 Ų44.928%0.27823%0.231SC..Hα-helixtrans-62.6-43172.800000112.5T120 I159 A160 T166 Y167T120-G163 PolarHBondContact OG1-N 3.43Å; I159-G163 PolarHBondContact O-N 3.23Å; A160-G163 PolarHBondContact O-N 3.07Å; G163-T166 WeakPolarHBondContact O-CB 3.28Å; G163-T166 PolarHBondContact O-N 2.9Å; G163-Y167 PolarHBondContact O-N 3.17Å
164I97.1Very high95.2Very high74 Ų7450.8 Ų50.838%0.37925%0.246SC..Hα-helixtrans-65.3-40.9175.3-66.8162.8000111.1V32 A160 T161 T166 Y167 F168V32-I164 HydrophobicContact CG1-CB 4.13Å; V32-I164 HydrophobicContact CG1-CG2 4.04Å; V32-I164 HydrophobicContact CG2-CG2 3.97Å; A160-I164 VanDerWaalsContact O-CG1 3.26Å; A160-I164 WeakPolarHBondContact O-CG1 3.48Å; A160-I164 PolarHBondContact O-N 3.19Å; T161-I164 PolarHBondContact O-N 3.06Å; I164-T166 VanDerWaalsContact C-N 3.32Å; I164-T166 PolarHBondContact O-N 2.9Å; I164-Y167 WeakPolarHBondContact O-CB 3.45Å; I164-Y167 PolarHBondContact O-N 3.44Å; I164-F168 HydrophobicContact CG2-CD2 3.91Å; I164-F168 HydrophobicContact CG2-CE2 3.48Å; I164-F168 VanDerWaalsContact CG2-CE2 3.48Å; I164-F168 HydrophobicContact CG2-CZ 3.89Å; I164-F168 PolarHBondContact O-N 3.29Å
165L96.1Very high94.6Very high0 Ų055.3 Ų55.30%026%0.261CS..Hα-helixtrans-59.6-44.1173.4-75.4169.6000111.7Q29 V32 R33 S36 T161 W162 Y167 F168 A169Q29-L165 HydrophobicContact CG-CD2 4.29Å; V32-L165 HydrophobicContact CB-CD2 4.32Å; V32-L165 HydrophobicContact CG1-CD2 4.2Å; V32-L165 HydrophobicContact CG1-CG 3.85Å; R33-L165 HydrophobicContact CB-CD2 3.99Å; S36-L165 WeakPolarHBondContact OG-CD1 3.38Å; T161-L165 WeakPolarHBondContact O-CG 3.37Å; T161-L165 PolarHBondContact O-N 3.04Å; W162-L165 HydrophobicContact CD2-CD1 4.47Å; W162-L165 HydrophobicContact CE3-CD1 4.28Å; W162-L165 PolarHBondContact O-N 3.45Å; L165-Y167 VanDerWaalsContact C-N 3.32Å; L165-Y167 PolarHBondContact O-N 2.99Å; L165-F168 PolarHBondContact O-N 3.44Å; L165-A169 WeakPolarHBondContact O-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.45Å
166T96.9Very high93.6Very high29 Ų2955.3 Ų55.318%0.17826%0.261CS..Hα-helixtrans-59.2-44.5175.9-540000111L113 S116 G117 T120 W162 G163 I164 A169 L170L113-T166 HydrophobicContact CD1-CG2 3.89Å; S116-T166 WeakPolarHBondContact CB-OG1 3.28Å; S116-T166 PolarHBondContact O-OG1 3.26Å; G117-T166 WeakPolarHBondContact CA-OG1 3.4Å; G117-T166 PolarHBondContact N-OG1 2.88Å; G117-T166 VanDerWaalsContact N-OG1 3.14Å; T120-T166 PolarHBondContact OG1-OG1 2.88Å; W162-T166 WeakPolarHBondContact O-CB 3.46Å; W162-T166 PolarHBondContact O-N 2.87Å; W162-T166 PolarHBondContact O-OG1 3.47Å; G163-T166 WeakPolarHBondContact O-CB 3.28Å; G163-T166 PolarHBondContact O-N 2.9Å; I164-T166 VanDerWaalsContact C-N 3.32Å; I164-T166 PolarHBondContact O-N 2.9Å; T166-A169 PolarHBondContact O-N 3.02Å; T166-L170 VanDerWaalsContact O-CB 3.31Å; T166-L170 WeakPolarHBondContact O-CB 3.06Å; T166-L170 PolarHBondContact O-N 3.09Å
167Y96.2Very high92.4Very high166 Ų16653.1 Ų53.165%0.65126%0.256SS*.Hα-helixtrans-61-46.4176174.1-97.5000112.2G163 I164 L165 L170 G171G163-Y167 PolarHBondContact O-N 3.17Å; I164-Y167 WeakPolarHBondContact O-CB 3.45Å; I164-Y167 PolarHBondContact O-N 3.44Å; L165-Y167 VanDerWaalsContact C-N 3.32Å; L165-Y167 PolarHBondContact O-N 2.99Å; Y167-L170 PolarHBondContact O-N 3.29Å; Y167-G171 PolarHBondContact O-N 2.86Å
168F93.4Very high91Very high60 Ų6052.8 Ų52.826%0.26326%0.259SS..Hα-helixtrans-64.1-42176.8-69.8-33000112.4P28 Q29 V32 I164 L165 L170 G171 R172P28-F168 HydrophobicContact CB-CE2 4.27Å; P28-F168 HydrophobicContact CB-CZ 4.12Å; P28-F168 HydrophobicContact CG-CZ 4.47Å; Q29-F168 HydrophobicContact CB-CD2 4Å; V32-F168 HydrophobicContact CG2-CE2 4.2Å; I164-F168 HydrophobicContact CG2-CD2 3.91Å; I164-F168 HydrophobicContact CG2-CE2 3.48Å; I164-F168 VanDerWaalsContact CG2-CE2 3.48Å; I164-F168 HydrophobicContact CG2-CZ 3.89Å; I164-F168 PolarHBondContact O-N 3.29Å; L165-F168 PolarHBondContact O-N 3.44Å; F168-L170 VanDerWaalsContact C-N 3.33Å; F168-G171 PolarHBondContact O-N 3.19Å; F168-R172 PolarHBondContact O-N 3.46Å
169A92.3Very high89.3Confident0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-63.4-40.3176.400000111.3L113 L165 T166 R172 F173L113-A169 HydrophobicContact CB-CB 3.92Å; L113-A169 HydrophobicContact CD1-CB 4.15Å; L165-A169 WeakPolarHBondContact O-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.45Å; T166-A169 PolarHBondContact O-N 3.02Å; A169-R172 PolarHBondContact O-N 3.44Å; A169-F173 WeakPolarHBondContact O-CB 3.04Å; A169-F173 PolarHBondContact O-N 3Å
170L93.1Very high87.5Confident72 Ų7259.8 Ų59.838%0.37730%0.3SS..Hα-helixtrans-63.6-43.4175.6-178.762.9000111.1L113 T166 Y167 F168 R172 F173 R174L113-L170 HydrophobicContact CD1-CB 3.84Å; L113-L170 HydrophobicContact CD1-CD1 4.44Å; L113-L170 HydrophobicContact CD2-CD1 4.04Å; T166-L170 VanDerWaalsContact O-CB 3.31Å; T166-L170 WeakPolarHBondContact O-CB 3.06Å; T166-L170 PolarHBondContact O-N 3.09Å; Y167-L170 PolarHBondContact O-N 3.29Å; F168-L170 VanDerWaalsContact C-N 3.33Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.36Å; L170-F173 PolarHBondContact O-N 2.88Å; L170-R174 HydrophobicContact CD1-CG 4.3Å; L170-R174 VanDerWaalsContact O-CG 3.31Å; L170-R174 WeakPolarHBondContact O-CG 3.17Å; L170-R174 PolarHBondContact O-N 3.29Å
171G90.6Very high85.6Confident18 Ų1861 Ų6119%0.18631%0.305CS..Hα-helixtrans-60.8-39175.300000112.7Y167 F168 R175Y167-G171 PolarHBondContact O-N 2.86Å; F168-G171 PolarHBondContact O-N 3.19Å; G171-R175 VanDerWaalsContact O-CG 3.31Å; G171-R175 WeakPolarHBondContact O-CG 3.36Å; G171-R175 PolarHBondContact O-N 3.25Å; G171-R175 PolarHBondContact O-NH1 2.02Å
172R88.4Confident83.4Confident45 Ų4565.8 Ų65.817%0.1733%0.329CS..Hα-helixtrans-68.2-45.1174.4-82.9-176-96.7111.415.7111.7V109 D112 F168 A169 L170 R174 R175 G176V109-R172 HydrophobicContact CG1-CB 3.98Å; D112-R172 IonicContact OD2-CZ 3.51Å; D112-R172 IonicContact OD2-NH1 3.88Å; D112-R172 PolarHBondContact OD2-NH1 3.36Å; D112-R172 IonicContact OD2-NH2 2.63Å; F168-R172 PolarHBondContact O-N 3.46Å; A169-R172 PolarHBondContact O-N 3.44Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 PolarHBondContact O-N 3.36Å; R172-R174 VanDerWaalsContact C-N 3.34Å; R172-R174 PolarHBondContact O-N 3.45Å; R172-R175 PolarHBondContact O-N 2.9Å; R172-G176 PolarHBondContact O-N 3.32Å
173F88.3Confident80.9Confident54 Ų5469.1 Ų69.124%0.23735%0.351CS..Hα-helixtrans-57.7-46.4177.4-179.6-100.7000111.6V109 M110 L113 A169 L170 G176 V177V109-F173 HydrophobicContact CG1-CB 3.99Å; M110-F173 HydrophobicContact CB-CD2 4.49Å; M110-F173 HydrophobicContact CB-CE2 4.37Å; M110-F173 HydrophobicContact CG-CE2 4.41Å; L113-F173 HydrophobicContact CD2-CB 4.02Å; L113-F173 HydrophobicContact CD2-CD1 4.24Å; L113-F173 HydrophobicContact CD2-CG 4.03Å; A169-F173 WeakPolarHBondContact O-CB 3.04Å; A169-F173 PolarHBondContact O-N 3Å; L170-F173 PolarHBondContact O-N 2.88Å; F173-G176 PolarHBondContact O-N 3.5Å; F173-V177 HydrophobicContact CD1-CG2 4.34Å; F173-V177 HydrophobicContact CE1-CG2 3.96Å; F173-V177 HydrophobicContact CE2-CG2 4.38Å; F173-V177 HydrophobicContact CZ-CG2 3.98Å; F173-V177 WeakPolarHBondContact O-CG2 3.19Å; F173-V177 PolarHBondContact O-N 3Å
174R88Confident78.6Confident161 Ų16174 Ų7461%0.60838%0.376SS*.Hα-helixtrans-63.5-49.8179.2-7017973.5162.75.3112.4L170 R172 G176 V177 D178L170-R174 HydrophobicContact CD1-CG 4.3Å; L170-R174 VanDerWaalsContact O-CG 3.31Å; L170-R174 WeakPolarHBondContact O-CG 3.17Å; L170-R174 PolarHBondContact O-N 3.29Å; R172-R174 VanDerWaalsContact C-N 3.34Å; R172-R174 PolarHBondContact O-N 3.45Å; R174-G176 PolarHBondContact O-N 2.89Å; R174-V177 WeakPolarHBondContact O-CB 3.27Å; R174-V177 PolarHBondContact O-N 3.49Å; R174-D178 PolarHBondContact O-N 3.21Å
175R85.1Confident76.3Confident153 Ų15381 Ų8158%0.57740%0.399SS*.Hα-helixtrans-57.3-39.5176.4-69.8177.8-173.692.7-4.4112.1A9 G171 R172 V177 D178 D179A9-R175 HydrophobicContact CB-CB 3.75Å; G171-R175 VanDerWaalsContact O-CG 3.31Å; G171-R175 WeakPolarHBondContact O-CG 3.36Å; G171-R175 PolarHBondContact O-N 3.25Å; G171-R175 PolarHBondContact O-NH1 2.02Å; R172-R175 PolarHBondContact O-N 2.9Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-D178 PolarHBondContact O-N 2.85Å; R175-D179 PolarHBondContact O-N 2.92Å
176G77.3Confident73.9Confident0 Ų085.7 Ų85.70%043%0.428CS..Hα-helixtrans-74.4-17.5176.800000115.2Y10 R172 F173 R174 V180Y10-G176 VanDerWaalsContact CE2-O 3.27Å; Y10-G176 WeakPolarHBondContact CE2-O 3.42Å; Y10-G176 VanDerWaalsContact OH-CA 3.31Å; Y10-G176 WeakPolarHBondContact OH-CA 3.45Å; Y10-G176 PolarHBondContact OH-O 2.81Å; Y10-G176 VanDerWaalsContact OH-O 3.06Å; R172-G176 PolarHBondContact O-N 3.32Å; F173-G176 PolarHBondContact O-N 3.5Å; R174-G176 PolarHBondContact O-N 2.89Å; G176-V180 WeakPolarHBondContact O-CG2 3.32Å
177V73.1Confident71.2Confident59 Ų5992.8 Ų92.836%0.35846%0.459SS..Hα-helixtrans-81.5-41.6168.3168.80000109.9F173 R174 R175 D179 V180 S181F173-V177 HydrophobicContact CD1-CG2 4.34Å; F173-V177 HydrophobicContact CE1-CG2 3.96Å; F173-V177 HydrophobicContact CE2-CG2 4.38Å; F173-V177 HydrophobicContact CZ-CG2 3.98Å; F173-V177 WeakPolarHBondContact O-CG2 3.19Å; F173-V177 PolarHBondContact O-N 3Å; R174-V177 WeakPolarHBondContact O-CB 3.27Å; R174-V177 PolarHBondContact O-N 3.49Å; R175-V177 VanDerWaalsContact C-N 3.33Å; V177-D179 PolarHBondContact O-N 2.96Å; V177-V180 PolarHBondContact O-N 3.14Å; V177-V180 VanDerWaalsContact O-N 3.17Å; V177-S181 PolarHBondContact O-N 3.04Å; V177-S181 VanDerWaalsContact O-N 3.09Å
178D68.8Low68.6Low90 Ų9090.3 Ų90.348%0.48146%0.461SS..Hα-helixtrans-61.3-42.6179.3-62-27.8000111R174 R175 V180 S181 I182R174-D178 PolarHBondContact O-N 3.21Å; R175-D178 PolarHBondContact O-N 2.85Å; D178-V180 VanDerWaalsContact C-N 3.31Å; D178-V180 PolarHBondContact O-N 3.5Å; D178-S181 WeakPolarHBondContact CA-OG 3.32Å; D178-S181 PolarHBondContact O-N 3.02Å; D178-S181 VanDerWaalsContact O-N 3.12Å; D178-S181 PolarHBondContact O-OG 3.17Å; D178-I182 PolarHBondContact O-N 3.5Å
179D62.5Low65.9Low76 Ų7690.8 Ų90.841%0.40648%0.476SS..Hα-helixtrans-60.6-33175-85.75.6000113.9A9 R175 V177A9-D179 WeakPolarHBondContact CB-OD2 3.06Å; A9-D179 PolarHBondContact N-OD2 2.91Å; R175-D179 PolarHBondContact O-N 2.92Å; V177-D179 PolarHBondContact O-N 2.96Å
180V59.4Low63.3Low102 Ų10296.5 Ų96.562%0.61851%0.514SS*.Hα-helixtrans-80.6-23.5178.5176.60000111.2G176 V177 D178G176-V180 WeakPolarHBondContact O-CG2 3.32Å; V177-V180 PolarHBondContact O-N 3.14Å; V177-V180 VanDerWaalsContact O-N 3.17Å; D178-V180 VanDerWaalsContact C-N 3.31Å; D178-V180 PolarHBondContact O-N 3.5Å
181S57.2Low60.4Low79 Ų79100.7 Ų100.755%0.55253%0.531SS*.Hα-helixtrans-81-16.2-177.373.80000114.2V177 D178 P183V177-S181 PolarHBondContact O-N 3.04Å; V177-S181 VanDerWaalsContact O-N 3.09Å; D178-S181 WeakPolarHBondContact CA-OG 3.32Å; D178-S181 PolarHBondContact O-N 3.02Å; D178-S181 VanDerWaalsContact O-N 3.12Å; D178-S181 PolarHBondContact O-OG 3.17Å; S181-P183 WeakPolarHBondContact O-CD 3.21Å
182I52.5Low57.8Low113 Ų113106.9 Ų106.958%0.57956%0.558SS**SBendtrans-78.9107.9168.4-57.4177.6000107.2D178 T184D178-I182 PolarHBondContact O-N 3.5Å; I182-T184 PolarHBondContact O-N 2.84Å
183P44.1Very low55.4Low73 Ų73112.5 Ų112.547%0.47459%0.586SS.*  trans-68.7124.5177.6-623.4000107.9S181 Y185 T186S181-P183 WeakPolarHBondContact O-CD 3.21Å; P183-Y185 HydrophobicContact CB-CD2 3.96Å; P183-Y185 PolarHBondContact O-N 3.45Å; P183-T186 PolarHBondContact O-N 2.89Å; P183-T186 VanDerWaalsContact O-N 3.16Å; P183-T186 PolarHBondContact O-OG1 3.24Å
184T50.6Low52.8Low130 Ų130114.3 Ų114.380%0.79861%0.605SS**THydrogen-bonded Turntrans-52.8-7.5166.7-50.90000113.1I182 T186I182-T184 PolarHBondContact O-N 2.84Å; T184-T186 PolarHBondContact O-N 3.11Å
185Y47.8Very low50.4Low221 Ų221114.4 Ų114.487%0.86762%0.618SS**THydrogen-bonded Turntrans-73.3-0.1172.8-61.5-72000115.5P183P183-Y185 HydrophobicContact CB-CD2 3.96Å; P183-Y185 PolarHBondContact O-N 3.45Å
186T47.2Very low48Very low99 Ų99113 Ų11361%0.60763%0.626SS**  trans-104.746170.844.40000112.1P183 T184 T188P183-T186 PolarHBondContact O-N 2.89Å; P183-T186 VanDerWaalsContact O-N 3.16Å; P183-T186 PolarHBondContact O-OG1 3.24Å; T184-T186 PolarHBondContact O-N 3.11Å; T186-T188 PolarHBondContact O-N 3.25Å; T186-T188 VanDerWaalsContact O-N 3.16Å
187E40.3Very low45.8Very low177 Ų177118.7 Ų118.783%0.82766%0.663SS**  trans-80.674.9151-164.4163.8-176.100107.6A189E187-A189 PolarHBondContact O-N 3.06Å; E187-A189 VanDerWaalsContact O-N 3.08Å
188T40.7Very low44.1Very low115 Ų115125 Ų12571%0.70669%0.689SS**  trans-69.4103.3162-41.70000105.5T186T186-T188 PolarHBondContact O-N 3.25Å; T186-T188 VanDerWaalsContact O-N 3.16Å
189A36.9Very low42.2Very low70 Ų70125.7 Ų125.758%0.57970%0.701SS**  trans-44.3135.6167.900000108.8E187 E191E187-A189 PolarHBondContact O-N 3.06Å; E187-A189 VanDerWaalsContact O-N 3.08Å; A189-E191 PolarHBondContact O-N 2.97Å
190P36.8Very low40.8Very low120 Ų120131.1 Ų131.178%0.77972%0.723SS**  trans-61.9108.9-178.823.5-30.5000108.5I192P190-I192 VanDerWaalsContact C-N 3.34Å; P190-I192 PolarHBondContact O-N 3Å
191E33.2Very low39.7Very low160 Ų160135.9 Ų135.975%0.74874%0.736SS**  trans-63.799.1169.1-77.5-158164.100108A189 H193A189-E191 PolarHBondContact O-N 2.97Å; E191-H193 PolarHBondContact O-N 3.49Å
192I36.7Very low38.5Very low147 Ų147140.8 Ų140.875%0.75475%0.75SS**  trans-64.4103.2161.6-61.7-179.7000105.9P190 S194P190-I192 VanDerWaalsContact C-N 3.34Å; P190-I192 PolarHBondContact O-N 3Å; I192-S194 VanDerWaalsContact C-N 3.31Å; I192-S194 PolarHBondContact O-N 3.49Å
193H37.8Very low38.4Very low164 Ų164140.3 Ų140.376%0.75976%0.755SS**  trans-61.292.8166.7-87.425.4000109.3E191E191-H193 PolarHBondContact O-N 3.49Å
194S32.8Very low38.3Very low91 Ų91141.7 Ų141.764%0.63676%0.764SS**  trans-106.1107.7163.155.20000108.9I192 V196I192-S194 VanDerWaalsContact C-N 3.31Å; I192-S194 PolarHBondContact O-N 3.49Å; S194-V196 PolarHBondContact O-N 3.24Å
195N37.6Very low37.8Very low164 Ų164144.7 Ų144.788%0.87777%0.766SS**  trans-51.5113.7173.1-64.8-40.1000111.1
196V34.5Very low37.1Very low123 Ų123140.4 Ų140.475%0.74576%0.763SS**  trans-135.2128.3163.9-1770000107.8S194S194-V196 PolarHBondContact O-N 3.24Å
197P31.9Very low36.9Very low120 Ų120141 Ų14178%0.77977%0.771SS**  trans-75.4146.1-177.817.8-11.6000112.6
198E37.8Very low36.5Very low192 Ų192139.8 Ų139.890%0.89777%0.77SS**  trans-58.9121.1-177.6-166.5-179.5-179.800113.2
199S28.6Very low36.4Very low104 Ų104141.8 Ų141.873%0.72778%0.776SS**  trans-152.1117.4156.268.40000113.1
200Q32.8Very low36.4Very low189 Ų189144.1 Ų144.188%0.88379%0.785SS**  trans102.4106.3154.1-56.9-169.6-64.800119.1
201K35.8Very low36.5Very low202 Ų202144.3 Ų144.388%0.87879%0.786SS**  trans-63.9126.1168.3-66.2166.8170.7176.20112.7
202Q32.5Very low36.5Very low182 Ų182145.8 Ų145.885%0.8579%0.793SS**  trans33.4168.1131.8-135.9170.2-27.900122.7
203P49.3Very low36.2Very low104 Ų104143.2 Ų143.268%0.67579%0.789SS**  -115.4-145.3-75.943.8-27.3000110.5
204P42.8Very low36Very low102 Ų102142.3 Ų142.366%0.66279%0.789SS**  cis-132.1-179.8-20.540.6-20.8000115.2
205F39.3Very low36.2Very low192 Ų192145 Ų14584%0.84280%0.802SS**  trans28.4125.5161.5-67.3-78.1000121.9
206T33.2Very low36.2Very low131 Ų131142.7 Ų142.780%0.80480%0.799SS**  170.1133.3108.728.90000112.3
207S43.8Very low36.6Very low113 Ų113148.3 Ų148.379%0.7981%0.808SS**  trans-67.9131163.7-40.30000109.4
208N31.3Very low37.8Very low150 Ų150150 Ų15080%0.80281%0.81SS**  trans-159.8140.5156.7-89.3-34.8000112.2
209L38.2Very low38.6Very low158 Ų158146.1 Ų146.183%0.82780%0.802SS**PPolyproline II helixtrans-65.2162.3-169.9-66.396000115.4
210P37.3Very low39.7Very low118 Ų118146.8 Ų146.877%0.76680%0.803SS**PPolyproline II helixtrans-87.7158.2152.58.810.6000112.7
211P39.7Very low40Very low125 Ų125147.3 Ų147.381%0.81280%0.803SS**PPolyproline II helixtrans-88158.4-16034.8-35.4000116.3
212Q33.8Very low40.5Very low190 Ų190152 Ų15289%0.88882%0.817SS**  trans-28.7149.3156-108.6169-29.700114.4
213S30.4Very low40.9Very low94 Ų94150.5 Ų150.566%0.65782%0.815SS**  cis-170.9154.237.446.10000113.6
214D33.1Very low40.5Very low144 Ų144152.9 Ų152.977%0.7782%0.823SS**  trans64108.6147.6-59.1-18.2000123.1
215T37.5Very low40.4Very low148 Ų148155.8 Ų155.891%0.90883%0.831SS**  -171.3131.1107.2190000111.9
216S36.7Very low40.4Very low116 Ų116153.6 Ų153.681%0.81183%0.831SS**  trans-70139.4-179.1-48.60000113.6
217Y43.5Very low40.9Very low240 Ų240155.1 Ų155.194%0.94183%0.833SS**  trans-159.1135.3144.8-126.8-89.5000111.9
218L56.3Low40.7Very low157 Ų157157.9 Ų157.982%0.82284%0.835SS**PPolyproline II helixtrans-85.4157.5-178-84.1147.9000112.6
219P55.2Low41.4Very low110 Ų110158.4 Ų158.471%0.71484%0.838SS**PPolyproline II helixtrans-85.6148.4-178.933.5-33.7000113.5
220P50.3Low41.6Very low118 Ų118158.5 Ų158.577%0.76684%0.839SS**PPolyproline II helixtrans-83.1144.9166.629.7-26.2000112.4
221K40.2Very low42Very low199 Ų199161.8 Ų161.887%0.86585%0.845SS**PPolyproline II helixtrans-73.6146.4176-63.8173.1175178.80111
222Y46.9Very low42.2Very low301 Ų301165.2 Ų165.2100%1.1885%0.848SS**  trans-120.80149.1-75-78.9000108.1

Retrieved 222 of 222 residues in 257.1 ms (Link to these results)

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