A0A087WPG9_MOUSE Loading...

Topoisomerase (DNA) II binding protein 1

AlphaFold DB , UniProt , Accession A0A087WPG9, Species MOUSE (Mus musculus, Mouse), Gene Topbp1, Length 130 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
1M28.2Very low57.9Low241 Ų241116.8 Ų116.8100%1.18759%0.585SS**  0120.40-77.3-82.8-9600107.2
2S34.5Very low60.9Low103 Ų103108.6 Ų108.672%0.7254%0.543SS*.  trans63.8115.6-179.8-145.90000118.8
3R40.9Very low63.4Low226 Ų226100.2 Ų100.285%0.85350%0.501SS*.  trans-50.4139.1156.4-66.3169.9172.9172.9-4.5107.8D5R3-D5 VanDerWaalsContact C-N 3.32Å; R3-D5 PolarHBondContact O-N 2.86Å
4N49.9Very low65.6Low99 Ų9994.1 Ų94.153%0.52947%0.47SS..  trans-60.997.2171.1-92.1-24.6000107.9Q6 C93N4-Q6 PolarHBondContact O-N 2.85Å; N4-C93 PolarHBondContact ND2-SG 3.48Å; N4-C93 VanDerWaalsContact ND2-SG 3.38Å
5D43.5Very low67.4Low149 Ų14995.5 Ų95.580%0.79747%0.472SS*.  trans-71.251.5165.3-70.6-38.9000109.7R3R3-D5 VanDerWaalsContact C-N 3.32Å; R3-D5 PolarHBondContact O-N 2.86Å
6Q58.8Low68.6Low82 Ų8291.8 Ų91.838%0.38346%0.458SS..SBendtrans-119132.8178.3-61-155.3-45.800108N4 R96N4-Q6 PolarHBondContact O-N 2.85Å; Q6-R96 VanDerWaalsContact OE1-CZ 3.27Å
7E59.1Low69.3Low178 Ų17893.2 Ų93.283%0.83248%0.479SS*.  trans-45.8132.4170.8-73.3178.4155.900109F9E7-F9 PolarHBondContact O-N 3.06Å
8P66.6Low70Confident81 Ų8192.3 Ų92.353%0.52648%0.476SS..PPolyproline II helixtrans-62.2118.8-179.227.1-33.9000108.4Y38P8-Y38 HydrophobicContact CB-CD1 3.63Å; P8-Y38 HydrophobicContact CB-CE1 3.28Å; P8-Y38 HydrophobicContact CB-CE2 4.35Å; P8-Y38 HydrophobicContact CB-CG 4.3Å; P8-Y38 HydrophobicContact CG-CD1 4.2Å; P8-Y38 HydrophobicContact CG-CE1 3.37Å
9F75.8Confident70.9Confident70 Ų7088.8 Ų88.831%0.30746%0.458SS..PPolyproline II helixtrans-92.8143.2175.860.2-90.8000109.5E7 V11 L57E7-F9 PolarHBondContact O-N 3.06Å; F9-V11 HydrophobicContact CD2-CG2 4.39Å; F9-V11 HydrophobicContact CE2-CG2 4.13Å; F9-L57 HydrophobicContact CD2-CB 3.91Å; F9-L57 HydrophobicContact CE2-CB 3.77Å; F9-L57 HydrophobicContact CE2-CD2 4.03Å
10L88.4Confident71.9Confident51 Ų5186.6 Ų86.627%0.26745%0.451SS..PPolyproline II helixtrans-71.9138179.1-72.8164.1000110.5Q40 S56 L57L10-Q40 HydrophobicContact CD2-CG 4.43Å; L10-S56 WeakPolarHBondContact O-CA 3.46Å; L10-S56 WeakPolarHBondContact O-CB 3.45Å; L10-L57 PolarHBondContact O-N 3.38Å
11V91.4Very high72.8Confident5 Ų589 Ų893%0.0346%0.46CS..EExtended strand (participates in β ladder)trans-105.1114.8173.8-173.10000108.6F9 F13 I30 Y38 Q40 L57 I59F9-V11 HydrophobicContact CD2-CG2 4.39Å; F9-V11 HydrophobicContact CE2-CG2 4.13Å; V11-F13 HydrophobicContact CG1-CD2 4.13Å; V11-F13 HydrophobicContact CG1-CE2 3.72Å; V11-I30 HydrophobicContact CB-CD1 4.41Å; V11-I30 HydrophobicContact CG1-CD1 3.91Å; V11-I30 HydrophobicContact CG2-CD1 4.32Å; V11-Y38 PolarHBondContact N-O 2.65Å; V11-Q40 PolarHBondContact O-N 2.64Å; V11-L57 HydrophobicContact CG1-CD2 4.35Å; V11-I59 HydrophobicContact CG1-CD1 3.32Å; V11-I59 HydrophobicContact CG1-CG1 4.43Å
12K93.6Very high75.7Confident18 Ų1879.8 Ų79.88%0.07842%0.418CS..EExtended strand (participates in β ladder)trans-111110.7-174.6-60.2-173.3-177.11760110.9Q40 I42 D54 S56 L57 Y58 I59K12-Q40 CarbonylContact C-O 3.52Å; K12-Q40 VanDerWaalsContact CA-O 3.29Å; K12-Q40 WeakPolarHBondContact CA-O 3.43Å; K12-Q40 HydrophobicContact CG-CB 4.25Å; K12-I42 HydrophobicContact CB-CD1 4.04Å; K12-I42 HydrophobicContact CB-CG1 4.35Å; K12-I42 HydrophobicContact CD-CD1 4.28Å; K12-I42 HydrophobicContact CD-CG2 4.35Å; K12-D54 VanDerWaalsContact CE-OD2 3.3Å; K12-D54 WeakPolarHBondContact CE-OD2 3.33Å; K12-D54 IonicContact NZ-OD2 2.83Å; K12-D54 PolarHBondContact NZ-OD2 3.01Å; K12-S56 WeakPolarHBondContact CE-OG 3.42Å; K12-L57 PolarHBondContact N-O 3.34Å; K12-Y58 HydrophobicContact CB-CD1 4.06Å; K12-Y58 HydrophobicContact CB-CE1 4.19Å; K12-Y58 HydrophobicContact CD-CD1 4.32Å; K12-Y58 HydrophobicContact CD-CE1 3.6Å; K12-Y58 HydrophobicContact CG-CE1 4.47Å; K12-Y58 PolarHBondContact NZ-OH 3.29Å; K12-Y58 WeakPolarHBondContact O-CA 3.28Å; K12-I59 PolarHBondContact O-N 3.11Å
13F94.2Very high78.5Confident0 Ų075 Ų750%038%0.384CS..EExtended strand (participates in β ladder)trans-85.3117.3174.9-82.9-103.2000110.1V11 K15 F23 A26 L27 I30 L39 Q40 I41 I42 I59V11-F13 HydrophobicContact CG1-CD2 4.13Å; V11-F13 HydrophobicContact CG1-CE2 3.72Å; F13-K15 PolarHBondContact O-N 3.12Å; F13-F23 HydrophobicContact CB-CE2 4.07Å; F13-F23 HydrophobicContact CB-CZ 3.71Å; F13-F23 HydrophobicContact CD1-CD2 4.17Å; F13-F23 HydrophobicContact CD1-CE1 4.37Å; F13-F23 AromaticContact CD1-CE2 3.67Å; F13-F23 HydrophobicContact CD1-CE2 3.67Å; F13-F23 AromaticContact CD1-CZ 3.8Å; F13-F23 HydrophobicContact CD1-CZ 3.8Å; F13-F23 HydrophobicContact CG-CE2 4.36Å; F13-F23 HydrophobicContact CG-CZ 4.26Å; F13-A26 HydrophobicContact CE1-CB 4.19Å; F13-L27 HydrophobicContact CB-CD1 4.17Å; F13-L27 HydrophobicContact CD1-CB 4.1Å; F13-L27 HydrophobicContact CD1-CD1 3.82Å; F13-L27 HydrophobicContact CD2-CD1 3.75Å; F13-L27 HydrophobicContact CE1-CB 3.9Å; F13-L27 HydrophobicContact CE1-CD1 4.09Å; F13-L27 HydrophobicContact CE2-CD1 4.03Å; F13-L27 HydrophobicContact CG-CD1 3.64Å; F13-L27 HydrophobicContact CZ-CB 4.41Å; F13-L27 HydrophobicContact CZ-CD1 4.19Å; F13-I30 HydrophobicContact CE2-CD1 4.3Å; F13-I30 HydrophobicContact CE2-CG2 3.78Å; F13-I30 HydrophobicContact CZ-CG2 3.74Å; F13-L39 HydrophobicContact CD2-CD1 4Å; F13-L39 HydrophobicContact CE2-CD1 3.7Å; F13-Q40 PolarHBondContact N-O 3.26Å; F13-I41 HydrophobicContact CB-CG1 4.4Å; F13-I41 WeakPolarHBondContact O-CA 3.42Å; F13-I42 PolarHBondContact O-N 3.22Å; F13-I59 HydrophobicContact CD1-CB 3.97Å; F13-I59 HydrophobicContact CD1-CG1 4.4Å; F13-I59 HydrophobicContact CD1-CG2 3.86Å; F13-I59 HydrophobicContact CD2-CD1 4.39Å; F13-I59 HydrophobicContact CD2-CG1 4.4Å; F13-I59 HydrophobicContact CE1-CB 4.12Å; F13-I59 HydrophobicContact CE1-CG1 4.15Å; F13-I59 HydrophobicContact CE1-CG2 3.81Å; F13-I59 HydrophobicContact CE2-CD1 4.22Å; F13-I59 HydrophobicContact CE2-CG1 4.13Å; F13-I59 HydrophobicContact CG-CB 4.19Å; F13-I59 HydrophobicContact CZ-CB 4.46Å; F13-I59 HydrophobicContact CZ-CG1 4.01Å; F13-I59 HydrophobicContact CZ-CG2 4.46Å
14L94.3Very high80.8Confident14 Ų1468.7 Ų68.77%0.07336%0.364CS..EExtended strand (participates in β ladder)trans-79.6105.2176.8-178.166.2000110.2N19 F23 I42 D44 A47 I59 V67L14-N19 PolarHBondContact O-ND2 3.11Å; L14-N19 VanDerWaalsContact O-ND2 3.15Å; L14-F23 WeakPolarHBondContact O-CE2 3.42Å; L14-F23 VanDerWaalsContact O-CZ 3.28Å; L14-F23 WeakPolarHBondContact O-CZ 3.33Å; L14-I42 HydrophobicContact CD1-CD1 4.41Å; L14-I42 HydrophobicContact CD1-CG1 4.12Å; L14-D44 WeakPolarHBondContact CD1-OD1 3.36Å; L14-A47 HydrophobicContact CD1-CB 3.77Å; L14-I59 WeakPolarHBondContact CB-O 3.45Å; L14-I59 PolarHBondContact N-O 3.04Å; L14-V67 HydrophobicContact CD1-CG1 3.88Å; L14-V67 HydrophobicContact CD2-CB 4.2Å; L14-V67 HydrophobicContact CD2-CG1 3.61Å; L14-V67 HydrophobicContact CG-CG1 4.41Å
15K92.3Very high82.8Confident115 Ų11568.8 Ų68.850%0.536%0.359SS..EExtended strand (participates in β ladder)trans-87.4111.3175.7-170.7177.1-177.5-178.70110F13 N19 I41 I42F13-K15 PolarHBondContact O-N 3.12Å; K15-N19 VanDerWaalsContact CA-OD1 3.31Å; K15-N19 WeakPolarHBondContact CA-OD1 3.35Å; K15-I41 HydrophobicContact CB-CG2 3.71Å; K15-I41 HydrophobicContact CD-CG2 4.12Å; K15-I42 PolarHBondContact N-O 3.04Å
16S85.7Confident85.1Confident36 Ų3661.7 Ų61.725%0.25232%0.321SS..  trans-119.6163.8172.4-1680000109.5D18 N19 D44S16-D18 PolarHBondContact O-N 3.33Å; S16-N19 PolarHBondContact N-OD1 3.02Å; S16-N19 PolarHBondContact O-OD1 3.42Å; S16-D44 PolarHBondContact OG-OD2 2.75Å
17S81.3Confident86.7Confident116 Ų11658.6 Ų58.681%0.81131%0.307SS*.THydrogen-bonded Turntrans-59.7-20.5176.6480000113.2
18D81.9Confident88.1Confident78 Ų7856.1 Ų56.142%0.41730%0.296SS..THydrogen-bonded Turntrans-101.25.7-165.6-69.221.9000113.5S16 S20 R62S16-D18 PolarHBondContact O-N 3.33Å; D18-S20 PolarHBondContact O-N 2.89Å; D18-R62 IonicContact OD2-CZ 2.87Å; D18-R62 IonicContact OD2-NH1 3.74Å; D18-R62 PolarHBondContact OD2-NH1 3.16Å
19N86.8Confident89.1Confident25 Ų2554 Ų5413%0.13428%0.283CS..  trans-63.9131.3-178.1-65.5124.2000111.6L14 K15 S16 F23 F24L14-N19 PolarHBondContact O-ND2 3.11Å; L14-N19 VanDerWaalsContact O-ND2 3.15Å; K15-N19 VanDerWaalsContact CA-OD1 3.31Å; K15-N19 WeakPolarHBondContact CA-OD1 3.35Å; S16-N19 PolarHBondContact N-OD1 3.02Å; S16-N19 PolarHBondContact O-OD1 3.42Å; N19-F23 HydrophobicContact CB-CB 3.91Å; N19-F23 HydrophobicContact CB-CD1 3.91Å; N19-F23 HydrophobicContact CB-CD2 4.45Å; N19-F23 HydrophobicContact CB-CG 3.85Å; N19-F23 WeakPolarHBondContact ND2-CD2 3.2Å; N19-F24 HydrophobicContact CB-CE2 4.38Å
20S90.5Very high89.6Confident45 Ų4551 Ų5132%0.31527%0.27SS..  trans-74.3167.917573.60000112.4D18 C22 F23 F24 D61D18-S20 PolarHBondContact O-N 2.89Å; S20-C22 PolarHBondContact O-N 3.11Å; S20-C22 VanDerWaalsContact O-N 3.14Å; S20-C22 WeakPolarHBondContact OG-CB 3.4Å; S20-C22 PolarHBondContact OG-N 3.41Å; S20-F23 VanDerWaalsContact O-CB 3.26Å; S20-F23 WeakPolarHBondContact O-CB 3.26Å; S20-F23 PolarHBondContact O-N 3.35Å; S20-F24 WeakPolarHBondContact O-CD2 3.32Å; S20-D61 WeakPolarHBondContact CA-OD2 3.45Å; S20-D61 WeakPolarHBondContact CB-OD2 3.22Å; S20-D61 PolarHBondContact N-OD2 2.92Å; S20-D61 VanDerWaalsContact OG-CG 3.24Å; S20-D61 PolarHBondContact OG-OD1 3.13Å; S20-D61 PolarHBondContact OG-OD2 3.3Å
21E90.6Very high89.4Confident137 Ų13753 Ų5364%0.6428%0.276SS*.Hα-helixtrans-56.3-28.8171.1-64.4-176.1-171.900113.5F23 F24 K25E21-F23 PolarHBondContact O-N 3.34Å; E21-F24 PolarHBondContact O-N 2.9Å; E21-K25 WeakPolarHBondContact O-CG 3.49Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 IonicContact OE2-NZ 2.58Å; E21-K25 PolarHBondContact OE2-NZ 2.85Å
22C89.2Confident88.9Confident47 Ų4760.8 Ų60.832%0.31831%0.312SS..Hα-helixtrans-63.5-33.3178.9-68.30000111.4S20 A26 P81S20-C22 PolarHBondContact O-N 3.11Å; S20-C22 VanDerWaalsContact O-N 3.14Å; S20-C22 WeakPolarHBondContact OG-CB 3.4Å; S20-C22 PolarHBondContact OG-N 3.41Å; C22-A26 WeakPolarHBondContact O-CB 3.41Å; C22-A26 PolarHBondContact O-N 2.89Å; C22-P81 HydrophobicContact CB-CB 4.39Å
23F93.1Very high87.9Confident2 Ų265.8 Ų65.81%0.00934%0.339CS..Hα-helixtrans-60.9-49.3175-178.5-92.9000111.9F13 L14 N19 S20 E21 A26 L27 I59 D61 P81F13-F23 HydrophobicContact CB-CE2 4.07Å; F13-F23 HydrophobicContact CB-CZ 3.71Å; F13-F23 HydrophobicContact CD1-CD2 4.17Å; F13-F23 HydrophobicContact CD1-CE1 4.37Å; F13-F23 AromaticContact CD1-CE2 3.67Å; F13-F23 HydrophobicContact CD1-CE2 3.67Å; F13-F23 AromaticContact CD1-CZ 3.8Å; F13-F23 HydrophobicContact CD1-CZ 3.8Å; F13-F23 HydrophobicContact CG-CE2 4.36Å; F13-F23 HydrophobicContact CG-CZ 4.26Å; L14-F23 WeakPolarHBondContact O-CE2 3.42Å; L14-F23 VanDerWaalsContact O-CZ 3.28Å; L14-F23 WeakPolarHBondContact O-CZ 3.33Å; N19-F23 HydrophobicContact CB-CB 3.91Å; N19-F23 HydrophobicContact CB-CD1 3.91Å; N19-F23 HydrophobicContact CB-CD2 4.45Å; N19-F23 HydrophobicContact CB-CG 3.85Å; N19-F23 WeakPolarHBondContact ND2-CD2 3.2Å; S20-F23 VanDerWaalsContact O-CB 3.26Å; S20-F23 WeakPolarHBondContact O-CB 3.26Å; S20-F23 PolarHBondContact O-N 3.35Å; E21-F23 PolarHBondContact O-N 3.34Å; F23-A26 PolarHBondContact O-N 3.29Å; F23-L27 WeakPolarHBondContact O-CB 3.3Å; F23-L27 PolarHBondContact O-N 3.31Å; F23-I59 HydrophobicContact CD2-CG2 4.45Å; F23-I59 HydrophobicContact CE2-CG2 4.47Å; F23-D61 HydrophobicContact CB-CB 4.37Å; F23-D61 HydrophobicContact CD2-CB 4.22Å; F23-P81 HydrophobicContact CB-CG 4.14Å; F23-P81 HydrophobicContact CD2-CG 4.04Å
24F91.1Very high86.7Confident95 Ų9569.8 Ų69.842%0.41736%0.358SS..Hα-helixtrans-66.9-41.5-179.9-63.8-75.1000111.9N19 S20 E21 A26 L27 E28N19-F24 HydrophobicContact CB-CE2 4.38Å; S20-F24 WeakPolarHBondContact O-CD2 3.32Å; E21-F24 PolarHBondContact O-N 2.9Å; F24-A26 VanDerWaalsContact C-N 3.31Å; F24-A26 PolarHBondContact O-N 2.98Å; F24-L27 WeakPolarHBondContact O-CB 3.49Å; F24-L27 PolarHBondContact O-N 2.93Å; F24-E28 WeakPolarHBondContact O-CG 3.4Å; F24-E28 PolarHBondContact O-N 3.16Å
25K91.7Very high85.6Confident101 Ų10172.7 Ų72.744%0.43938%0.379SS..Hα-helixtrans-59.8-41.7175-71.1168.3-173.1158.40111.9E21 S29E21-K25 WeakPolarHBondContact O-CG 3.49Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 IonicContact OE2-NZ 2.58Å; E21-K25 PolarHBondContact OE2-NZ 2.85Å; K25-S29 WeakPolarHBondContact O-CB 3.25Å; K25-S29 PolarHBondContact O-N 3.26Å; K25-S29 PolarHBondContact O-OG 3.34Å
26A91.4Very high84.7Confident0 Ų074.2 Ų74.20%039%0.388CS..Hα-helixtrans-66-4217600000112.2F13 C22 F23 F24 S29 I30 P81 V84F13-A26 HydrophobicContact CE1-CB 4.19Å; C22-A26 WeakPolarHBondContact O-CB 3.41Å; C22-A26 PolarHBondContact O-N 2.89Å; F23-A26 PolarHBondContact O-N 3.29Å; F24-A26 VanDerWaalsContact C-N 3.31Å; F24-A26 PolarHBondContact O-N 2.98Å; A26-S29 PolarHBondContact O-N 3.29Å; A26-I30 WeakPolarHBondContact O-CG2 3.44Å; A26-I30 PolarHBondContact O-N 3.13Å; A26-I30 VanDerWaalsContact O-N 3.1Å; A26-P81 HydrophobicContact CB-CB 3.79Å; A26-P81 WeakPolarHBondContact CB-O 3.41Å; A26-V84 HydrophobicContact CB-CB 4.04Å; A26-V84 HydrophobicContact CB-CG1 4.15Å
27L91Very high84.3Confident16 Ų1678.9 Ų78.98%0.08441%0.41CS..Hα-helixtrans-63.7-40.9177.7-177.269.6000112.1F13 F23 F24 I30 K31 L39 I41F13-L27 HydrophobicContact CB-CD1 4.17Å; F13-L27 HydrophobicContact CD1-CB 4.1Å; F13-L27 HydrophobicContact CD1-CD1 3.82Å; F13-L27 HydrophobicContact CD2-CD1 3.75Å; F13-L27 HydrophobicContact CE1-CB 3.9Å; F13-L27 HydrophobicContact CE1-CD1 4.09Å; F13-L27 HydrophobicContact CE2-CD1 4.03Å; F13-L27 HydrophobicContact CG-CD1 3.64Å; F13-L27 HydrophobicContact CZ-CB 4.41Å; F13-L27 HydrophobicContact CZ-CD1 4.19Å; F23-L27 WeakPolarHBondContact O-CB 3.3Å; F23-L27 PolarHBondContact O-N 3.31Å; F24-L27 WeakPolarHBondContact O-CB 3.49Å; F24-L27 PolarHBondContact O-N 2.93Å; L27-I30 WeakPolarHBondContact O-CG2 3.46Å; L27-K31 VanDerWaalsContact O-CG 3.28Å; L27-K31 WeakPolarHBondContact O-CG 3.5Å; L27-K31 PolarHBondContact O-N 3.23Å; L27-L39 HydrophobicContact CD1-CD1 4.37Å; L27-L39 HydrophobicContact CD1-CD2 3.94Å; L27-I41 HydrophobicContact CD1-CD1 4.23Å; L27-I41 HydrophobicContact CD1-CG1 4.22Å; L27-I41 HydrophobicContact CD2-CD1 3.92Å
28E89.5Confident84.3Confident127 Ų12777.6 Ų77.659%0.59339%0.388SS*.Hα-helixtrans-66.2-47.8174.9-72.7175.3169.700111F24 I30 K31 E32F24-E28 WeakPolarHBondContact O-CG 3.4Å; F24-E28 PolarHBondContact O-N 3.16Å; E28-I30 VanDerWaalsContact C-N 3.26Å; E28-I30 PolarHBondContact O-N 2.73Å; E28-K31 PolarHBondContact O-N 3.1Å; E28-K31 VanDerWaalsContact O-N 3.13Å; E28-E32 PolarHBondContact O-N 3.42Å
29S87.2Confident84.7Confident36 Ų3675 Ų7525%0.25237%0.374SS..Hα-helixtrans-58.6-36.8-178.8-57.70000112.9K25 A26K25-S29 WeakPolarHBondContact O-CB 3.25Å; K25-S29 PolarHBondContact O-N 3.26Å; K25-S29 PolarHBondContact O-OG 3.34Å; A26-S29 PolarHBondContact O-N 3.29Å
30I85.7Confident84.9Confident7 Ų777.6 Ų77.64%0.03639%0.386CS..Hα-helixtrans-77.5-32.1179.8-166.7160000112.6V11 F13 A26 L27 E28 E32 L33 Q34 L39 V84 M88V11-I30 HydrophobicContact CB-CD1 4.41Å; V11-I30 HydrophobicContact CG1-CD1 3.91Å; V11-I30 HydrophobicContact CG2-CD1 4.32Å; F13-I30 HydrophobicContact CE2-CD1 4.3Å; F13-I30 HydrophobicContact CE2-CG2 3.78Å; F13-I30 HydrophobicContact CZ-CG2 3.74Å; A26-I30 WeakPolarHBondContact O-CG2 3.44Å; A26-I30 PolarHBondContact O-N 3.13Å; A26-I30 VanDerWaalsContact O-N 3.1Å; L27-I30 WeakPolarHBondContact O-CG2 3.46Å; E28-I30 VanDerWaalsContact C-N 3.26Å; E28-I30 PolarHBondContact O-N 2.73Å; I30-E32 PolarHBondContact O-N 3.03Å; I30-L33 PolarHBondContact O-N 2.89Å; I30-L33 VanDerWaalsContact O-N 3.11Å; I30-Q34 HydrophobicContact CG1-CB 4.19Å; I30-Q34 HydrophobicContact CG1-CG 3.95Å; I30-Q34 PolarHBondContact O-N 3.25Å; I30-L39 HydrophobicContact CB-CD1 4.39Å; I30-L39 HydrophobicContact CD1-CD1 4.29Å; I30-L39 HydrophobicContact CG1-CD1 4.18Å; I30-L39 HydrophobicContact CG2-CD1 3.36Å; I30-V84 HydrophobicContact CB-CG1 4.4Å; I30-V84 HydrophobicContact CD1-CG1 4.38Å; I30-M88 HydrophobicContact CB-CE 3.92Å; I30-M88 HydrophobicContact CD1-CE 3.73Å; I30-M88 HydrophobicContact CG1-CE 3.58Å
31K85.2Confident85Confident94 Ų9479.1 Ų79.141%0.40939%0.39SS..Hα-helixtrans-64.2-28.6176.9-79.2177.7175.2-164.40112.7L27 E28 L33 L39L27-K31 VanDerWaalsContact O-CG 3.28Å; L27-K31 WeakPolarHBondContact O-CG 3.5Å; L27-K31 PolarHBondContact O-N 3.23Å; E28-K31 PolarHBondContact O-N 3.1Å; E28-K31 VanDerWaalsContact O-N 3.13Å; K31-L33 PolarHBondContact O-N 3.4Å; K31-L39 HydrophobicContact CG-CD2 3.94Å
32E80.4Confident85.2Confident168 Ų16873.2 Ų73.279%0.78536%0.362SS*.THydrogen-bonded Turntrans-69.5-21.3175.7-66.9-178.5171.800113.1E28 I30E28-E32 PolarHBondContact O-N 3.42Å; I30-E32 PolarHBondContact O-N 3.03Å
33L72.3Confident85.4Confident122 Ų12273.2 Ų73.264%0.63936%0.361SS*.THydrogen-bonded Turntrans-117.2-30.7-169.8-73164.8000114.2I30 K31 M88I30-L33 PolarHBondContact O-N 2.89Å; I30-L33 VanDerWaalsContact O-N 3.11Å; K31-L33 PolarHBondContact O-N 3.4Å; L33-M88 HydrophobicContact CD1-CB 4.38Å; L33-M88 HydrophobicContact CD1-CG 4.24Å; L33-M88 HydrophobicContact CD1-SD 3.45Å; L33-M88 WeakPolarHBondContact CD1-SD 3.29Å
34Q70.3Confident85.3Confident85 Ų8575.3 Ų75.340%0.39737%0.372SS..SBendtrans-107.2141.2-178.8-74.8-101.8-38.100110.5I30I30-Q34 HydrophobicContact CG1-CB 4.19Å; I30-Q34 HydrophobicContact CG1-CG 3.95Å; I30-Q34 PolarHBondContact O-N 3.25Å
35S71.5Confident85.3Confident74 Ų7476.5 Ų76.552%0.51738%0.379SS..  trans-60.1139.4169.6-54.90000110.2D37 Y38S35-D37 PolarHBondContact O-N 3.09Å; S35-Y38 PolarHBondContact O-N 2.96Å; S35-Y38 VanDerWaalsContact O-N 3.11Å
36E72.3Confident85.4Confident147 Ų14775.9 Ų75.969%0.68738%0.378SS*.G310 helixtrans-56.4-25179.3-65.6-169148.900112.6Y38 L39E36-Y38 PolarHBondContact O-N 3.27Å; E36-Y38 VanDerWaalsContact O-N 3.12Å; E36-L39 PolarHBondContact O-N 2.58Å; E36-L39 VanDerWaalsContact O-N 3.11Å
37D76.6Confident85.4Confident134 Ų13475.9 Ų75.972%0.71738%0.378SS*.G310 helixtrans-58.4-24.8178-59.5-32.4000114.2S35S35-D37 PolarHBondContact O-N 3.09Å
38Y82.5Confident85.4Confident89 Ų8978.9 Ų78.935%0.34939%0.393SS..G310 helixtrans-105.41.3-179.1-59.9-71.5000113.9P8 V11 S35 E36P8-Y38 HydrophobicContact CB-CD1 3.63Å; P8-Y38 HydrophobicContact CB-CE1 3.28Å; P8-Y38 HydrophobicContact CB-CE2 4.35Å; P8-Y38 HydrophobicContact CB-CG 4.3Å; P8-Y38 HydrophobicContact CG-CD1 4.2Å; P8-Y38 HydrophobicContact CG-CE1 3.37Å; V11-Y38 PolarHBondContact N-O 2.65Å; S35-Y38 PolarHBondContact O-N 2.96Å; S35-Y38 VanDerWaalsContact O-N 3.11Å; E36-Y38 PolarHBondContact O-N 3.27Å; E36-Y38 VanDerWaalsContact O-N 3.12Å
39L89.1Confident85.6Confident24 Ų2480.2 Ų80.213%0.12640%0.397CS..EExtended strand (participates in β ladder)trans-112.6119.5-177.8-173.4109.8000110.2F13 L27 I30 K31 E36F13-L39 HydrophobicContact CD2-CD1 4Å; F13-L39 HydrophobicContact CE2-CD1 3.7Å; L27-L39 HydrophobicContact CD1-CD1 4.37Å; L27-L39 HydrophobicContact CD1-CD2 3.94Å; I30-L39 HydrophobicContact CB-CD1 4.39Å; I30-L39 HydrophobicContact CD1-CD1 4.29Å; I30-L39 HydrophobicContact CG1-CD1 4.18Å; I30-L39 HydrophobicContact CG2-CD1 3.36Å; K31-L39 HydrophobicContact CG-CD2 3.94Å; E36-L39 PolarHBondContact O-N 2.58Å; E36-L39 VanDerWaalsContact O-N 3.11Å
40Q91.4Very high85.9Confident80 Ų8079.8 Ų79.837%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-119.1142.8175.6-67.51792.100110.2L10 V11 K12 F13L10-Q40 HydrophobicContact CD2-CG 4.43Å; V11-Q40 PolarHBondContact O-N 2.64Å; K12-Q40 CarbonylContact C-O 3.52Å; K12-Q40 VanDerWaalsContact CA-O 3.29Å; K12-Q40 WeakPolarHBondContact CA-O 3.43Å; K12-Q40 HydrophobicContact CG-CB 4.25Å; F13-Q40 PolarHBondContact N-O 3.26Å
41I92.9Very high86.2Confident77 Ų7789.8 Ų89.840%0.39543%0.429SS..EExtended strand (participates in β ladder)trans-107.9120.3168.9-57.7173.3000105.5F13 K15 L27F13-I41 HydrophobicContact CB-CG1 4.4Å; F13-I41 WeakPolarHBondContact O-CA 3.42Å; K15-I41 HydrophobicContact CB-CG2 3.71Å; K15-I41 HydrophobicContact CD-CG2 4.12Å; L27-I41 HydrophobicContact CD1-CD1 4.23Å; L27-I41 HydrophobicContact CD1-CG1 4.22Å; L27-I41 HydrophobicContact CD2-CD1 3.92Å
42I94.3Very high86.4Confident12 Ų1292.8 Ų92.86%0.06244%0.444CS..EExtended strand (participates in β ladder)trans-112.7145.6-179.661.9174000110.1K12 F13 L14 K15 E46 A47 I50 Y58K12-I42 HydrophobicContact CB-CD1 4.04Å; K12-I42 HydrophobicContact CB-CG1 4.35Å; K12-I42 HydrophobicContact CD-CD1 4.28Å; K12-I42 HydrophobicContact CD-CG2 4.35Å; F13-I42 PolarHBondContact O-N 3.22Å; L14-I42 HydrophobicContact CD1-CD1 4.41Å; L14-I42 HydrophobicContact CD1-CG1 4.12Å; K15-I42 PolarHBondContact N-O 3.04Å; I42-E46 VanDerWaalsContact CA-OE2 3.25Å; I42-E46 WeakPolarHBondContact CA-OE2 3.25Å; I42-E46 HydrophobicContact CB-CB 4.26Å; I42-A47 HydrophobicContact CD1-CB 3.92Å; I42-I50 HydrophobicContact CD1-CD1 4.36Å; I42-Y58 HydrophobicContact CD1-CD1 3.99Å; I42-Y58 HydrophobicContact CD1-CE1 3.91Å
43T93.8Very high86.9Confident48 Ų4888.1 Ų88.129%0.29443%0.425SS..EExtended strand (participates in β ladder)trans-88.2170.1171.970.80000111.9E45 E46 A47T43-E45 VanDerWaalsContact C-N 3.26Å; T43-E45 WeakPolarHBondContact CB-OE2 3.41Å; T43-E45 PolarHBondContact O-N 3.45Å; T43-E45 PolarHBondContact OG1-OE2 3.03Å; T43-E46 PolarHBondContact N-OE2 3.19Å; T43-E46 PolarHBondContact O-N 2.7Å; T43-A47 WeakPolarHBondContact O-CB 3.34Å; T43-A47 PolarHBondContact O-N 3.24Å
44D91.1Very high87.6Confident45 Ų4585.4 Ų85.424%0.24141%0.411CS..Hα-helixtrans-56.6-39.5175.9-70.1-17.8000111.8L14 S16 L48 V67L14-D44 WeakPolarHBondContact CD1-OD1 3.36Å; S16-D44 PolarHBondContact OG-OD2 2.75Å; D44-L48 VanDerWaalsContact O-CG 3.3Å; D44-L48 WeakPolarHBondContact O-CG 3.47Å; D44-L48 PolarHBondContact O-N 2.88Å; D44-L48 VanDerWaalsContact O-N 3.16Å; D44-V67 HydrophobicContact CB-CG2 3.76Å
45E91.6Very high88.4Confident121 Ų12189.8 Ų89.857%0.56543%0.429SS*.Hα-helixtrans-70.5-33.9178.9-51.281.7-17600112.8T43 K49T43-E45 VanDerWaalsContact C-N 3.26Å; T43-E45 WeakPolarHBondContact CB-OE2 3.41Å; T43-E45 PolarHBondContact O-N 3.45Å; T43-E45 PolarHBondContact OG1-OE2 3.03Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.01Å
46E92.9Very high89.4Confident88 Ų8886.4 Ų86.441%0.41141%0.405SS..Hα-helixtrans-72.1-41.4177.3-69172.916200111.1I42 T43 L48 K49I42-E46 VanDerWaalsContact CA-OE2 3.25Å; I42-E46 WeakPolarHBondContact CA-OE2 3.25Å; I42-E46 HydrophobicContact CB-CB 4.26Å; T43-E46 PolarHBondContact N-OE2 3.19Å; T43-E46 PolarHBondContact O-N 2.7Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 2.85Å; E46-K49 WeakPolarHBondContact O-CB 3.43Å; E46-K49 PolarHBondContact O-N 2.79Å; E46-K49 VanDerWaalsContact O-N 3.11Å
47A91.6Very high90.3Very high0 Ų079.5 Ų79.50%037%0.373CS..Hα-helixtrans-61.2-38.2175.800000112.3L14 I42 T43 K49 I50 V67 H70L14-A47 HydrophobicContact CD1-CB 3.77Å; I42-A47 HydrophobicContact CD1-CB 3.92Å; T43-A47 WeakPolarHBondContact O-CB 3.34Å; T43-A47 PolarHBondContact O-N 3.24Å; A47-K49 VanDerWaalsContact C-N 3.28Å; A47-K49 PolarHBondContact O-N 2.81Å; A47-I50 WeakPolarHBondContact O-CB 3.42Å; A47-I50 WeakPolarHBondContact O-CG1 3.32Å; A47-I50 PolarHBondContact O-N 2.85Å; A47-V67 HydrophobicContact CB-CG1 3.36Å; A47-H70 PolarHBondContact O-CD2 2.85Å
48L92.4Very high91.1Very high79 Ų7973.1 Ų73.141%0.41434%0.339SS..Hα-helixtrans-69.8-21.2176.1-70.3170.8000113.8D44 E46 I50 T66 V67 H70D44-L48 VanDerWaalsContact O-CG 3.3Å; D44-L48 WeakPolarHBondContact O-CG 3.47Å; D44-L48 PolarHBondContact O-N 2.88Å; D44-L48 VanDerWaalsContact O-N 3.16Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 2.85Å; L48-I50 VanDerWaalsContact C-N 3.27Å; L48-T66 HydrophobicContact CD2-CG2 4.46Å; L48-V67 HydrophobicContact CD1-CG2 4.41Å; L48-V67 HydrophobicContact CD2-CG2 4.37Å; L48-V67 HydrophobicContact CG-CG2 4.17Å; L48-H70 HydrophobicContact CD2-CB 4.11Å
49K93.4Very high91.7Very high154 Ų15468.9 Ų68.967%0.6732%0.322SS*.Hα-helixtrans-76.4-17175.2-70.4167.7-170.1169.10112.6E45 E46 A47 R51E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.01Å; E46-K49 WeakPolarHBondContact O-CB 3.43Å; E46-K49 PolarHBondContact O-N 2.79Å; E46-K49 VanDerWaalsContact O-N 3.11Å; A47-K49 VanDerWaalsContact C-N 3.28Å; A47-K49 PolarHBondContact O-N 2.81Å; K49-R51 PolarHBondContact O-N 3.28Å
50I92.3Very high91.9Very high27 Ų2767.8 Ų67.814%0.13832%0.317CS..  trans-69.5123.5177.6-54.7176.7000107.8I42 A47 L48 E52 Y58 H70 L71 L74I42-I50 HydrophobicContact CD1-CD1 4.36Å; A47-I50 WeakPolarHBondContact O-CB 3.42Å; A47-I50 WeakPolarHBondContact O-CG1 3.32Å; A47-I50 PolarHBondContact O-N 2.85Å; L48-I50 VanDerWaalsContact C-N 3.27Å; I50-E52 WeakPolarHBondContact CG2-O 3.37Å; I50-Y58 HydrophobicContact CD1-CE1 3.62Å; I50-Y58 WeakPolarHBondContact CD1-OH 3.36Å; I50-H70 PolarHBondContact O-CE1 3.39Å; I50-H70 PolarHBondContact O-NE2 3.11Å; I50-L71 HydrophobicContact CD1-CD2 4.29Å; I50-L74 HydrophobicContact CG2-CD1 4.19Å
51R91.6Very high91.9Very high217 Ų21764.4 Ų64.482%0.81930%0.301SS*.  trans-111.5-14.5-178-63.3-174.2179.8-168-1.2113.7K49 L74K49-R51 PolarHBondContact O-N 3.28Å; R51-L74 VanDerWaalsContact O-CD2 3.27Å; R51-L74 WeakPolarHBondContact O-CD2 3.43Å
52E91.1Very high91.7Very high157 Ų15767 Ų6773%0.73431%0.306SS*.SBendtrans-137153.5-174.7-64.4-175.4179.100110.1I50 D54I50-E52 WeakPolarHBondContact CG2-O 3.37Å; E52-D54 PolarHBondContact O-N 3.43Å
53N89.4Confident91.6Very high71 Ų7167.9 Ų67.938%0.3831%0.309SS..  trans-75.3106.7176.7-175-3000110.2K55 G75N53-K55 PolarHBondContact O-N 2.93Å; N53-K55 WeakPolarHBondContact OD1-CA 3.31Å; N53-K55 PolarHBondContact OD1-N 3.19Å; N53-G75 PolarHBondContact ND2-O 3.45Å
54D88Confident91.4Very high65 Ų6569.3 Ų69.335%0.34832%0.321SS..  trans-86.210.3179.169.7-24.8000113.4K12 E52 S56 Y58K12-D54 VanDerWaalsContact CE-OD2 3.3Å; K12-D54 WeakPolarHBondContact CE-OD2 3.33Å; K12-D54 IonicContact NZ-OD2 2.83Å; K12-D54 PolarHBondContact NZ-OD2 3.01Å; E52-D54 PolarHBondContact O-N 3.43Å; D54-S56 PolarHBondContact O-N 2.95Å; D54-S56 VanDerWaalsContact O-N 3.09Å; D54-S56 VanDerWaalsContact OD1-CB 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.33Å; D54-S56 PolarHBondContact OD1-N 3.39Å; D54-S56 PolarHBondContact OD1-OG 3Å; D54-S56 WeakPolarHBondContact OD2-CB 3.47Å; D54-S56 PolarHBondContact OD2-OG 3.47Å; D54-Y58 VanDerWaalsContact CG-OH 3.24Å; D54-Y58 WeakPolarHBondContact OD1-CE2 3.32Å; D54-Y58 PolarHBondContact OD1-OH 3.28Å; D54-Y58 PolarHBondContact OD2-OH 3.26Å
55K87.6Confident91.4Very high176 Ų17669.1 Ų69.177%0.76533%0.33SS*.  trans5916.6-177.6-53.9177.2-177.2173.80113.9N53N53-K55 PolarHBondContact O-N 2.93Å; N53-K55 WeakPolarHBondContact OD1-CA 3.31Å; N53-K55 PolarHBondContact OD1-N 3.19Å
56S90.8Very high91.4Very high3 Ų368.6 Ų68.62%0.02134%0.335CS..PPolyproline II helixtrans-73.5158.5172.9-63.90000111.5L10 K12 D54 Y58L10-S56 WeakPolarHBondContact O-CA 3.46Å; L10-S56 WeakPolarHBondContact O-CB 3.45Å; K12-S56 WeakPolarHBondContact CE-OG 3.42Å; D54-S56 PolarHBondContact O-N 2.95Å; D54-S56 VanDerWaalsContact O-N 3.09Å; D54-S56 VanDerWaalsContact OD1-CB 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.33Å; D54-S56 PolarHBondContact OD1-N 3.39Å; D54-S56 PolarHBondContact OD1-OG 3Å; D54-S56 WeakPolarHBondContact OD2-CB 3.47Å; D54-S56 PolarHBondContact OD2-OG 3.47Å; S56-Y58 WeakPolarHBondContact O-CD2 3.34Å
57L91.4Very high91.4Very high3 Ų365.1 Ų65.12%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-93.3121.6171.5-179.567.4000109.6F9 L10 V11 K12 I59 R77 V79 V94F9-L57 HydrophobicContact CD2-CB 3.91Å; F9-L57 HydrophobicContact CE2-CB 3.77Å; F9-L57 HydrophobicContact CE2-CD2 4.03Å; L10-L57 PolarHBondContact O-N 3.38Å; V11-L57 HydrophobicContact CG1-CD2 4.35Å; K12-L57 PolarHBondContact N-O 3.34Å; L57-I59 HydrophobicContact CD2-CD1 4.11Å; L57-I59 HydrophobicContact CG-CD1 3.88Å; L57-R77 HydrophobicContact CD1-CB 4.44Å; L57-R77 HydrophobicContact CD1-CG 3.83Å; L57-V79 HydrophobicContact CD1-CB 4.48Å; L57-V79 HydrophobicContact CD1-CG1 3.93Å; L57-V79 HydrophobicContact CD1-CG2 3.81Å; L57-V79 HydrophobicContact CD2-CG2 4.29Å; L57-V79 HydrophobicContact CG-CG2 4.15Å; L57-V94 HydrophobicContact CD1-CG1 4.11Å; L57-V94 HydrophobicContact CD2-CB 4.28Å; L57-V94 HydrophobicContact CD2-CG1 3.93Å; L57-V94 HydrophobicContact CD2-CG2 4.09Å
58Y93.8Very high91.5Very high0 Ų065.7 Ų65.70%032%0.322CS..EExtended strand (participates in β ladder)trans-102.9128.3180-66.6-95.1000110.7K12 I42 I50 D54 S56 L71 C76 R77 I78 V79K12-Y58 HydrophobicContact CB-CD1 4.06Å; K12-Y58 HydrophobicContact CB-CE1 4.19Å; K12-Y58 HydrophobicContact CD-CD1 4.32Å; K12-Y58 HydrophobicContact CD-CE1 3.6Å; K12-Y58 HydrophobicContact CG-CE1 4.47Å; K12-Y58 PolarHBondContact NZ-OH 3.29Å; K12-Y58 WeakPolarHBondContact O-CA 3.28Å; I42-Y58 HydrophobicContact CD1-CD1 3.99Å; I42-Y58 HydrophobicContact CD1-CE1 3.91Å; I50-Y58 HydrophobicContact CD1-CE1 3.62Å; I50-Y58 WeakPolarHBondContact CD1-OH 3.36Å; D54-Y58 VanDerWaalsContact CG-OH 3.24Å; D54-Y58 WeakPolarHBondContact OD1-CE2 3.32Å; D54-Y58 PolarHBondContact OD1-OH 3.28Å; D54-Y58 PolarHBondContact OD2-OH 3.26Å; S56-Y58 WeakPolarHBondContact O-CD2 3.34Å; Y58-L71 HydrophobicContact CD1-CD1 3.76Å; Y58-L71 HydrophobicContact CD1-CD2 3.93Å; Y58-L71 HydrophobicContact CD1-CG 4.48Å; Y58-L71 HydrophobicContact CE1-CD1 4.4Å; Y58-L71 HydrophobicContact CE1-CD2 3.77Å; Y58-L71 HydrophobicContact CG-CD1 4.17Å; Y58-L71 HydrophobicContact CG-CD2 4.46Å; Y58-C76 HydrophobicContact CD2-CB 3.67Å; Y58-C76 HydrophobicContact CE2-CB 3.72Å; Y58-R77 PolarHBondContact N-O 2.98Å; Y58-I78 CarbonylContact O-C 3.54Å; Y58-I78 WeakPolarHBondContact O-CA 3.48Å; Y58-V79 PolarHBondContact O-N 3.08Å
59I94.3Very high91.6Very high0 Ų065.5 Ų65.50%032%0.322CS..EExtended strand (participates in β ladder)trans-105.3109.6179.3-65.562.4000107.6V11 K12 F13 L14 F23 L57 V79 P81 V84V11-I59 HydrophobicContact CG1-CD1 3.32Å; V11-I59 HydrophobicContact CG1-CG1 4.43Å; K12-I59 PolarHBondContact O-N 3.11Å; F13-I59 HydrophobicContact CD1-CB 3.97Å; F13-I59 HydrophobicContact CD1-CG1 4.4Å; F13-I59 HydrophobicContact CD1-CG2 3.86Å; F13-I59 HydrophobicContact CD2-CD1 4.39Å; F13-I59 HydrophobicContact CD2-CG1 4.4Å; F13-I59 HydrophobicContact CE1-CB 4.12Å; F13-I59 HydrophobicContact CE1-CG1 4.15Å; F13-I59 HydrophobicContact CE1-CG2 3.81Å; F13-I59 HydrophobicContact CE2-CD1 4.22Å; F13-I59 HydrophobicContact CE2-CG1 4.13Å; F13-I59 HydrophobicContact CG-CB 4.19Å; F13-I59 HydrophobicContact CZ-CB 4.46Å; F13-I59 HydrophobicContact CZ-CG1 4.01Å; F13-I59 HydrophobicContact CZ-CG2 4.46Å; L14-I59 WeakPolarHBondContact CB-O 3.45Å; L14-I59 PolarHBondContact N-O 3.04Å; F23-I59 HydrophobicContact CD2-CG2 4.45Å; F23-I59 HydrophobicContact CE2-CG2 4.47Å; L57-I59 HydrophobicContact CD2-CD1 4.11Å; L57-I59 HydrophobicContact CG-CD1 3.88Å; I59-V79 WeakPolarHBondContact CA-O 3.43Å; I59-V79 HydrophobicContact CD1-CG2 4.35Å; I59-V79 HydrophobicContact CG1-CG2 4.06Å; I59-P81 HydrophobicContact CG2-CB 4.39Å; I59-P81 HydrophobicContact CG2-CG 3.86Å; I59-V84 HydrophobicContact CG1-CG2 3.8Å
60C93.8Very high91.7Very high1 Ų160.2 Ų60.21%0.00730%0.3CS..  trans-116.8121.6179.5-62.90000109.4F63 F68 I78 V79C60-F63 HydrophobicContact CB-CD1 4.3Å; C60-F63 HydrophobicContact CB-CE1 4.23Å; C60-F63 WeakPolarHBondContact O-CE1 3.21Å; C60-F68 HydrophobicContact CB-CD2 4.35Å; C60-I78 HydrophobicContact CB-CG2 3.96Å; C60-V79 PolarHBondContact N-O 3.17Å
61D91.8Very high91.7Very high8 Ų859 Ų594%0.04329%0.293CS..SBendtrans-73.8-28.2-178.5-171.647.9000113.7S20 F23 P81 Y102S20-D61 WeakPolarHBondContact CA-OD2 3.45Å; S20-D61 WeakPolarHBondContact CB-OD2 3.22Å; S20-D61 PolarHBondContact N-OD2 2.92Å; S20-D61 VanDerWaalsContact OG-CG 3.24Å; S20-D61 PolarHBondContact OG-OD1 3.13Å; S20-D61 PolarHBondContact OG-OD2 3.3Å; F23-D61 HydrophobicContact CB-CB 4.37Å; F23-D61 HydrophobicContact CD2-CB 4.22Å; D61-P81 HydrophobicContact CB-CG 3.93Å; D61-P81 WeakPolarHBondContact OD1-CG 3.28Å; D61-Y102 VanDerWaalsContact O-CE2 3.28Å; D61-Y102 WeakPolarHBondContact O-CE2 3.29Å; D61-Y102 PolarHBondContact O-OH 3.42Å
62R89.8Confident91.7Very high131 Ų13153.7 Ų53.749%0.49428%0.276SS..SBendtrans-120133.9171.3-66.5-172.2-177.1160.57109.5D18 S64D18-R62 IonicContact OD2-CZ 2.87Å; D18-R62 IonicContact OD2-NH1 3.74Å; D18-R62 PolarHBondContact OD2-NH1 3.16Å; R62-S64 PolarHBondContact O-N 3.49Å
63F91.3Very high91.8Very high32 Ų3254.1 Ų54.114%0.1428%0.278CS..SBendtrans-91.253.4175.1-79.119.9000110.1C60 F68 I78 P100 V101 Y102 M130C60-F63 HydrophobicContact CB-CD1 4.3Å; C60-F63 HydrophobicContact CB-CE1 4.23Å; C60-F63 WeakPolarHBondContact O-CE1 3.21Å; F63-F68 VanDerWaalsContact C-CD1 3.45Å; F63-F68 HydrophobicContact CB-CD1 4.5Å; F63-F68 HydrophobicContact CB-CD2 4.27Å; F63-F68 HydrophobicContact CB-CE1 3.99Å; F63-F68 HydrophobicContact CB-CE2 3.74Å; F63-F68 HydrophobicContact CB-CZ 3.57Å; F63-F68 HydrophobicContact CD1-CD2 4.02Å; F63-F68 AromaticContact CD1-CE2 3.58Å; F63-F68 HydrophobicContact CD1-CE2 3.58Å; F63-F68 HydrophobicContact CD1-CZ 4.27Å; F63-F68 AromaticContact CD2-CE2 3.81Å; F63-F68 HydrophobicContact CD2-CE2 3.81Å; F63-F68 AromaticContact CD2-CZ 3.8Å; F63-F68 HydrophobicContact CD2-CZ 3.8Å; F63-F68 HydrophobicContact CE1-CE2 4.1Å; F63-F68 HydrophobicContact CE2-CE2 4.31Å; F63-F68 HydrophobicContact CG-CD2 4.17Å; F63-F68 AromaticContact CG-CE2 3.42Å; F63-F68 HydrophobicContact CG-CE2 3.42Å; F63-F68 VanDerWaalsContact CG-CE2 3.42Å; F63-F68 AromaticContact CG-CZ 3.63Å; F63-F68 HydrophobicContact CG-CZ 3.63Å; F63-F68 HydrophobicContact CZ-CE2 4.42Å; F63-I78 HydrophobicContact CE1-CG2 3.84Å; F63-I78 HydrophobicContact CZ-CG2 4.02Å; F63-P100 HydrophobicContact CD2-CB 3.82Å; F63-P100 HydrophobicContact CE2-CB 3.3Å; F63-P100 HydrophobicContact CZ-CB 3.86Å; F63-V101 VanDerWaalsContact CZ-C 3.45Å; F63-V101 WeakPolarHBondContact CZ-O 3.36Å; F63-Y102 HydrophobicContact CB-CD2 4.41Å; F63-Y102 AromaticContact CD1-CD2 3.74Å; F63-Y102 HydrophobicContact CD1-CD2 3.74Å; F63-Y102 HydrophobicContact CD1-CE2 4.36Å; F63-Y102 HydrophobicContact CD2-CD2 4.1Å; F63-Y102 AromaticContact CE1-CD2 3.96Å; F63-Y102 HydrophobicContact CE1-CD2 3.96Å; F63-Y102 HydrophobicContact CE2-CD2 4.28Å; F63-Y102 VanDerWaalsContact CE2-N 3.34Å; F63-Y102 AromaticContact CG-CD2 3.81Å; F63-Y102 HydrophobicContact CG-CD2 3.81Å; F63-Y102 HydrophobicContact CZ-CD2 4.24Å; F63-M130 HydrophobicContact CB-CE 4.3Å; F63-M130 HydrophobicContact CD2-CE 3.97Å
64S89.8Confident92Very high78 Ų7852.9 Ų52.955%0.54527%0.271SS..  trans-156157.8-179.858.50000110R62R62-S64 PolarHBondContact O-N 3.49Å
65G90.7Very high92.1Very high41 Ų4151.9 Ų51.942%0.42328%0.276SS..SBendtrans96.9164.3177.700000113.4V67 F68 D69G65-V67 VanDerWaalsContact C-N 3.28Å; G65-V67 PolarHBondContact O-N 3.3Å; G65-F68 PolarHBondContact O-N 3.39Å; G65-D69 PolarHBondContact O-N 3.43Å
66T92.4Very high92.3Very high110 Ų11043.9 Ų43.968%0.67524%0.242SC*.Hα-helixtrans-57.4-38.5-169.1-45.30000113.2L48 H70L48-T66 HydrophobicContact CD2-CG2 4.46Å; T66-H70 VanDerWaalsContact O-CB 3.23Å; T66-H70 WeakPolarHBondContact O-CB 3.42Å; T66-H70 PolarHBondContact O-N 3.12Å
67V92.9Very high92.4Very high14 Ų1446 Ų469%0.08525%0.25CC..Hα-helixtrans-70-43.9-178.7-176.40000111.5L14 D44 A47 L48 G65 H70 L71L14-V67 HydrophobicContact CD1-CG1 3.88Å; L14-V67 HydrophobicContact CD2-CB 4.2Å; L14-V67 HydrophobicContact CD2-CG1 3.61Å; L14-V67 HydrophobicContact CG-CG1 4.41Å; D44-V67 HydrophobicContact CB-CG2 3.76Å; A47-V67 HydrophobicContact CB-CG1 3.36Å; L48-V67 HydrophobicContact CD1-CG2 4.41Å; L48-V67 HydrophobicContact CD2-CG2 4.37Å; L48-V67 HydrophobicContact CG-CG2 4.17Å; G65-V67 VanDerWaalsContact C-N 3.28Å; G65-V67 PolarHBondContact O-N 3.3Å; V67-H70 PolarHBondContact O-N 3.12Å; V67-L71 HydrophobicContact CG1-CD1 4.21Å; V67-L71 WeakPolarHBondContact O-CG 3.38Å; V67-L71 PolarHBondContact O-N 3.41Å
68F93.4Very high92.5Very high12 Ų1246 Ų465%0.05325%0.249CC..Hα-helixtrans-62.4-46.5176.1170.1-99000110.9C60 F63 G65 H70 L71 K72 I78 P100C60-F68 HydrophobicContact CB-CD2 4.35Å; F63-F68 VanDerWaalsContact C-CD1 3.45Å; F63-F68 HydrophobicContact CB-CD1 4.5Å; F63-F68 HydrophobicContact CB-CD2 4.27Å; F63-F68 HydrophobicContact CB-CE1 3.99Å; F63-F68 HydrophobicContact CB-CE2 3.74Å; F63-F68 HydrophobicContact CB-CZ 3.57Å; F63-F68 HydrophobicContact CD1-CD2 4.02Å; F63-F68 AromaticContact CD1-CE2 3.58Å; F63-F68 HydrophobicContact CD1-CE2 3.58Å; F63-F68 HydrophobicContact CD1-CZ 4.27Å; F63-F68 AromaticContact CD2-CE2 3.81Å; F63-F68 HydrophobicContact CD2-CE2 3.81Å; F63-F68 AromaticContact CD2-CZ 3.8Å; F63-F68 HydrophobicContact CD2-CZ 3.8Å; F63-F68 HydrophobicContact CE1-CE2 4.1Å; F63-F68 HydrophobicContact CE2-CE2 4.31Å; F63-F68 HydrophobicContact CG-CD2 4.17Å; F63-F68 AromaticContact CG-CE2 3.42Å; F63-F68 HydrophobicContact CG-CE2 3.42Å; F63-F68 VanDerWaalsContact CG-CE2 3.42Å; F63-F68 AromaticContact CG-CZ 3.63Å; F63-F68 HydrophobicContact CG-CZ 3.63Å; F63-F68 HydrophobicContact CZ-CE2 4.42Å; G65-F68 PolarHBondContact O-N 3.39Å; F68-H70 VanDerWaalsContact C-N 3.31Å; F68-H70 PolarHBondContact O-N 3.25Å; F68-L71 PolarHBondContact O-N 3.2Å; F68-K72 HydrophobicContact CE1-CD 3.96Å; F68-K72 HydrophobicContact CZ-CD 4.08Å; F68-K72 VanDerWaalsContact O-CB 3.24Å; F68-K72 WeakPolarHBondContact O-CB 3.17Å; F68-K72 PolarHBondContact O-N 3.1Å; F68-I78 HydrophobicContact CD2-CD1 4.18Å; F68-I78 HydrophobicContact CD2-CG2 4.12Å; F68-I78 HydrophobicContact CE2-CD1 4.1Å; F68-I78 HydrophobicContact CE2-CG2 3.89Å; F68-P100 HydrophobicContact CE2-CB 4.01Å; F68-P100 HydrophobicContact CE2-CG 4.18Å; F68-P100 HydrophobicContact CZ-CB 4.02Å; F68-P100 HydrophobicContact CZ-CG 3.98Å
69D94.1Very high92.6Very high76 Ų7646 Ų4641%0.40625%0.25SC..Hα-helixtrans-62.6-40.2179.4-69.3-31.9000111.5G65 K72 Q73G65-D69 PolarHBondContact O-N 3.43Å; D69-K72 PolarHBondContact O-N 3.42Å; D69-Q73 WeakPolarHBondContact O-CB 3.34Å; D69-Q73 VanDerWaalsContact O-CG 3.26Å; D69-Q73 WeakPolarHBondContact O-CG 3.32Å; D69-Q73 PolarHBondContact O-N 3.07Å
70H94.3Very high92.6Very high43 Ų4346 Ų4620%0.19925%0.25CC..Hα-helixtrans-59.2-53.6174176.969.8000112A47 L48 I50 T66 V67 F68 K72 Q73 L74A47-H70 PolarHBondContact O-CD2 2.85Å; L48-H70 HydrophobicContact CD2-CB 4.11Å; I50-H70 PolarHBondContact O-CE1 3.39Å; I50-H70 PolarHBondContact O-NE2 3.11Å; T66-H70 VanDerWaalsContact O-CB 3.23Å; T66-H70 WeakPolarHBondContact O-CB 3.42Å; T66-H70 PolarHBondContact O-N 3.12Å; V67-H70 PolarHBondContact O-N 3.12Å; F68-H70 VanDerWaalsContact C-N 3.31Å; F68-H70 PolarHBondContact O-N 3.25Å; H70-K72 VanDerWaalsContact C-N 3.28Å; H70-K72 PolarHBondContact O-N 3.48Å; H70-Q73 PolarHBondContact O-N 2.83Å; H70-L74 WeakPolarHBondContact O-CG 3.4Å; H70-L74 PolarHBondContact O-N 2.99Å; H70-L74 VanDerWaalsContact O-N 3.12Å
71L93Very high92.6Very high0 Ų046 Ų460%025%0.25CC..Hα-helixtrans-62.3-37178.8-67.6172.9000112I50 Y58 V67 F68 L74 G75 C76 I78I50-L71 HydrophobicContact CD1-CD2 4.29Å; Y58-L71 HydrophobicContact CD1-CD1 3.76Å; Y58-L71 HydrophobicContact CD1-CD2 3.93Å; Y58-L71 HydrophobicContact CD1-CG 4.48Å; Y58-L71 HydrophobicContact CE1-CD1 4.4Å; Y58-L71 HydrophobicContact CE1-CD2 3.77Å; Y58-L71 HydrophobicContact CG-CD1 4.17Å; Y58-L71 HydrophobicContact CG-CD2 4.46Å; V67-L71 HydrophobicContact CG1-CD1 4.21Å; V67-L71 WeakPolarHBondContact O-CG 3.38Å; V67-L71 PolarHBondContact O-N 3.41Å; F68-L71 PolarHBondContact O-N 3.2Å; L71-L74 PolarHBondContact O-N 2.99Å; L71-G75 PolarHBondContact O-N 3.33Å; L71-C76 HydrophobicContact CB-CB 4.39Å; L71-C76 WeakPolarHBondContact O-CB 3.49Å; L71-C76 PolarHBondContact O-N 2.61Å; L71-C76 VanDerWaalsContact O-N 3.12Å; L71-I78 HydrophobicContact CB-CD1 3.72Å; L71-I78 HydrophobicContact CB-CG1 4.35Å
72K92.9Very high92.6Very high106 Ų10648.8 Ų48.846%0.46126%0.262SS..Hα-helixtrans-67-41.2177.3-176.8-178.7177.7-177.30111.6F68 D69 H70 L74 G75 I78 P100F68-K72 HydrophobicContact CE1-CD 3.96Å; F68-K72 HydrophobicContact CZ-CD 4.08Å; F68-K72 VanDerWaalsContact O-CB 3.24Å; F68-K72 WeakPolarHBondContact O-CB 3.17Å; F68-K72 PolarHBondContact O-N 3.1Å; D69-K72 PolarHBondContact O-N 3.42Å; H70-K72 VanDerWaalsContact C-N 3.28Å; H70-K72 PolarHBondContact O-N 3.48Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.69Å; K72-G75 PolarHBondContact O-N 3.19Å; K72-I78 HydrophobicContact CB-CD1 4.05Å; K72-P100 HydrophobicContact CD-CG 4.16Å; K72-P100 HydrophobicContact CG-CG 4.1Å
73Q92.8Very high92.7Very high166 Ų16642.5 Ų42.578%0.77624%0.239SC*.Hα-helixtrans-64.3-33.1176.3-77.2177.49.800112.4D69 H70 G75D69-Q73 WeakPolarHBondContact O-CB 3.34Å; D69-Q73 VanDerWaalsContact O-CG 3.26Å; D69-Q73 WeakPolarHBondContact O-CG 3.32Å; D69-Q73 PolarHBondContact O-N 3.07Å; H70-Q73 PolarHBondContact O-N 2.83Å; Q73-G75 PolarHBondContact O-N 2.86Å
74L92.1Very high92.7Very high46 Ų4641 Ų4124%0.24123%0.232CC..THydrogen-bonded Turntrans-70.4-9.5172.9-66176.5000113.4I50 R51 H70 L71 K72 C76I50-L74 HydrophobicContact CG2-CD1 4.19Å; R51-L74 VanDerWaalsContact O-CD2 3.27Å; R51-L74 WeakPolarHBondContact O-CD2 3.43Å; H70-L74 WeakPolarHBondContact O-CG 3.4Å; H70-L74 PolarHBondContact O-N 2.99Å; H70-L74 VanDerWaalsContact O-N 3.12Å; L71-L74 PolarHBondContact O-N 2.99Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.69Å; L74-C76 VanDerWaalsContact C-N 3.26Å; L74-C76 PolarHBondContact O-N 2.96Å
75G90.3Very high92.7Very high44 Ų4438.4 Ų38.445%0.45421%0.213SC..THydrogen-bonded Turntrans70.324.2-174.800000112.9N53 L71 K72 Q73N53-G75 PolarHBondContact ND2-O 3.45Å; L71-G75 PolarHBondContact O-N 3.33Å; K72-G75 PolarHBondContact O-N 3.19Å; Q73-G75 PolarHBondContact O-N 2.86Å
76C91.9Very high92.8Very high7 Ų739.1 Ų39.15%0.04721%0.205CC..  trans-65.6149.4174.9-66.10000110.4Y58 L71 L74 I78Y58-C76 HydrophobicContact CD2-CB 3.67Å; Y58-C76 HydrophobicContact CE2-CB 3.72Å; L71-C76 HydrophobicContact CB-CB 4.39Å; L71-C76 WeakPolarHBondContact O-CB 3.49Å; L71-C76 PolarHBondContact O-N 2.61Å; L71-C76 VanDerWaalsContact O-N 3.12Å; L74-C76 VanDerWaalsContact C-N 3.26Å; L74-C76 PolarHBondContact O-N 2.96Å; C76-I78 HydrophobicContact CB-CG1 4.49Å; C76-I78 PolarHBondContact O-N 2.91Å
77R92.6Very high92.6Very high49 Ų4933.9 Ų33.919%0.18517%0.173CC..EExtended strand (participates in β ladder)trans-79111.5176.7-172.7177.7167.1-155.1-4.7109.4L57 Y58 V94 P95L57-R77 HydrophobicContact CD1-CB 4.44Å; L57-R77 HydrophobicContact CD1-CG 3.83Å; Y58-R77 PolarHBondContact N-O 2.98Å; R77-V94 PolarHBondContact NH2-O 3.36Å; R77-P95 VanDerWaalsContact CZ-O 3.26Å; R77-P95 PolarHBondContact NE-O 3.41Å; R77-P95 PolarHBondContact NH2-O 2.87Å
78I94.2Very high92.2Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-115.9134.2-174.2-57.7163.2000110.2Y58 C60 F63 F68 L71 K72 C76 P100 V101Y58-I78 CarbonylContact O-C 3.54Å; Y58-I78 WeakPolarHBondContact O-CA 3.48Å; C60-I78 HydrophobicContact CB-CG2 3.96Å; F63-I78 HydrophobicContact CE1-CG2 3.84Å; F63-I78 HydrophobicContact CZ-CG2 4.02Å; F68-I78 HydrophobicContact CD2-CD1 4.18Å; F68-I78 HydrophobicContact CD2-CG2 4.12Å; F68-I78 HydrophobicContact CE2-CD1 4.1Å; F68-I78 HydrophobicContact CE2-CG2 3.89Å; L71-I78 HydrophobicContact CB-CD1 3.72Å; L71-I78 HydrophobicContact CB-CG1 4.35Å; K72-I78 HydrophobicContact CB-CD1 4.05Å; C76-I78 HydrophobicContact CB-CG1 4.49Å; C76-I78 PolarHBondContact O-N 2.91Å; I78-P100 HydrophobicContact CB-CB 4.13Å; I78-P100 HydrophobicContact CB-CG 4.38Å; I78-P100 HydrophobicContact CD1-CG 4.4Å; I78-P100 HydrophobicContact CG2-CB 4.45Å; I78-P100 VanDerWaalsContact O-CA 3.31Å; I78-P100 WeakPolarHBondContact O-CA 3.41Å; I78-V101 PolarHBondContact O-N 3.39Å; I78-V101 VanDerWaalsContact O-N 3.12Å
79V95.1Very high91.9Very high1 Ų144.3 Ų44.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-134.2156.2173.4-61.10000112.2L57 Y58 I59 C60 V83 V84 V94 V101L57-V79 HydrophobicContact CD1-CB 4.48Å; L57-V79 HydrophobicContact CD1-CG1 3.93Å; L57-V79 HydrophobicContact CD1-CG2 3.81Å; L57-V79 HydrophobicContact CD2-CG2 4.29Å; L57-V79 HydrophobicContact CG-CG2 4.15Å; Y58-V79 PolarHBondContact O-N 3.08Å; I59-V79 WeakPolarHBondContact CA-O 3.43Å; I59-V79 HydrophobicContact CD1-CG2 4.35Å; I59-V79 HydrophobicContact CG1-CG2 4.06Å; C60-V79 PolarHBondContact N-O 3.17Å; V79-V83 HydrophobicContact CB-CB 4.13Å; V79-V83 HydrophobicContact CB-CG1 4.29Å; V79-V83 HydrophobicContact CB-CG2 4.24Å; V79-V83 HydrophobicContact CG1-CG1 4.35Å; V79-V84 HydrophobicContact CG2-CG2 4.34Å; V79-V94 HydrophobicContact CG1-CG1 3.8Å; V79-V94 HydrophobicContact CG2-CG1 4.28Å; V79-V101 CarbonylContact C-O 3.56Å; V79-V101 WeakPolarHBondContact CA-O 3.23Å; V79-V101 HydrophobicContact CG1-CB 4.47Å
80G94.4Very high91.5Very high0 Ų045.9 Ų45.90%022%0.217CC..  trans-79.5157.7170.300000112.6Q82 V83 V101 Y102G80-Q82 PolarHBondContact O-N 2.76Å; G80-Q82 VanDerWaalsContact O-N 3.17Å; G80-V83 WeakPolarHBondContact O-CB 3.14Å; G80-V83 PolarHBondContact O-N 3.36Å; G80-V83 VanDerWaalsContact O-N 3.08Å; G80-V101 PolarHBondContact N-O 3.16Å; G80-Y102 WeakPolarHBondContact CA-O 3.3Å
81P93.7Very high90.8Very high1 Ų152.7 Ų52.71%0.00625%0.249CC..Hα-helixtrans-58.1-27.9174.6-27.136.4000113.9C22 F23 A26 I59 D61 V83 V84 T85C22-P81 HydrophobicContact CB-CB 4.39Å; F23-P81 HydrophobicContact CB-CG 4.14Å; F23-P81 HydrophobicContact CD2-CG 4.04Å; A26-P81 HydrophobicContact CB-CB 3.79Å; A26-P81 WeakPolarHBondContact CB-O 3.41Å; I59-P81 HydrophobicContact CG2-CB 4.39Å; I59-P81 HydrophobicContact CG2-CG 3.86Å; D61-P81 HydrophobicContact CB-CG 3.93Å; D61-P81 WeakPolarHBondContact OD1-CG 3.28Å; P81-V83 VanDerWaalsContact C-N 3.3Å; P81-V83 PolarHBondContact O-N 2.82Å; P81-V84 PolarHBondContact O-N 2.92Å; P81-T85 PolarHBondContact O-N 2.79Å; P81-T85 PolarHBondContact O-OG1 3.15Å
82Q92.8Very high90.4Very high66 Ų6657.7 Ų57.731%0.30827%0.273SS..Hα-helixtrans-63.9-37.7178-60.61777.400111.3G80 T85 F86 N103G80-Q82 PolarHBondContact O-N 2.76Å; G80-Q82 VanDerWaalsContact O-N 3.17Å; Q82-T85 PolarHBondContact O-N 3.06Å; Q82-F86 WeakPolarHBondContact O-CB 3.18Å; Q82-F86 PolarHBondContact O-N 2.87Å; Q82-N103 HydrophobicContact CB-CB 4.05Å
83V92.6Very high89.8Confident0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-62.2-47.5174.9-1790000110.3V79 G80 P81 T85 F86 C87 V94 P95 V101 M104V79-V83 HydrophobicContact CB-CB 4.13Å; V79-V83 HydrophobicContact CB-CG1 4.29Å; V79-V83 HydrophobicContact CB-CG2 4.24Å; V79-V83 HydrophobicContact CG1-CG1 4.35Å; G80-V83 WeakPolarHBondContact O-CB 3.14Å; G80-V83 PolarHBondContact O-N 3.36Å; G80-V83 VanDerWaalsContact O-N 3.08Å; P81-V83 VanDerWaalsContact C-N 3.3Å; P81-V83 PolarHBondContact O-N 2.82Å; V83-T85 PolarHBondContact O-N 2.87Å; V83-F86 PolarHBondContact O-N 3.49Å; V83-C87 WeakPolarHBondContact O-CB 3.26Å; V83-C87 PolarHBondContact O-N 3.03Å; V83-C87 PolarHBondContact O-SG 3.44Å; V83-V94 HydrophobicContact CG1-CG1 4.09Å; V83-P95 HydrophobicContact CG1-CG 3.91Å; V83-V101 HydrophobicContact CG2-CB 4.45Å; V83-V101 HydrophobicContact CG2-CG1 3.89Å; V83-V101 WeakPolarHBondContact CG2-O 3.31Å; V83-M104 HydrophobicContact CB-CG 4.32Å; V83-M104 HydrophobicContact CG1-CG 4.05Å; V83-M104 HydrophobicContact CG1-SD 4.08Å; V83-M104 HydrophobicContact CG2-CG 4.17Å; V83-M104 HydrophobicContact CG2-SD 4.45Å
84V91.1Very high89.5Confident1 Ų149.7 Ų49.71%0.00625%0.246CC..Hα-helixtrans-58.6-50.3178.3179.60000110.1A26 I30 I59 V79 P81 F86 C87 M88A26-V84 HydrophobicContact CB-CB 4.04Å; A26-V84 HydrophobicContact CB-CG1 4.15Å; I30-V84 HydrophobicContact CB-CG1 4.4Å; I30-V84 HydrophobicContact CD1-CG1 4.38Å; I59-V84 HydrophobicContact CG1-CG2 3.8Å; V79-V84 HydrophobicContact CG2-CG2 4.34Å; P81-V84 PolarHBondContact O-N 2.92Å; V84-F86 VanDerWaalsContact C-N 3.31Å; V84-F86 PolarHBondContact O-N 3.29Å; V84-C87 PolarHBondContact O-N 3.14Å; V84-M88 HydrophobicContact CG1-CE 4.1Å; V84-M88 HydrophobicContact CG1-CG 4.32Å; V84-M88 VanDerWaalsContact O-CG 3.26Å; V84-M88 WeakPolarHBondContact O-CG 3.5Å; V84-M88 PolarHBondContact O-N 2.89Å
85T90.3Very high89Confident23 Ų2349 Ų4914%0.14125%0.245CC..Hα-helixtrans-58.6-43.3179.8-54.10000111.8P81 Q82 V83 R89P81-T85 PolarHBondContact O-N 2.79Å; P81-T85 PolarHBondContact O-OG1 3.15Å; Q82-T85 PolarHBondContact O-N 3.06Å; V83-T85 PolarHBondContact O-N 2.87Å; T85-R89 WeakPolarHBondContact O-CG 3.27Å; T85-R89 PolarHBondContact O-N 3.39Å; T85-R89 VanDerWaalsContact O-N 3.13Å
86F90.9Very high88.7Confident55 Ų5554.1 Ų54.124%0.24125%0.25CS..Hα-helixtrans-63.6-51.9177-179.6-89.5000111.6Q82 V83 V84 M88 R89 H90 M104Q82-F86 WeakPolarHBondContact O-CB 3.18Å; Q82-F86 PolarHBondContact O-N 2.87Å; V83-F86 PolarHBondContact O-N 3.49Å; V84-F86 VanDerWaalsContact C-N 3.31Å; V84-F86 PolarHBondContact O-N 3.29Å; F86-M88 VanDerWaalsContact C-N 3.28Å; F86-M88 PolarHBondContact O-N 3.22Å; F86-R89 PolarHBondContact O-N 3.29Å; F86-R89 VanDerWaalsContact O-N 3.16Å; F86-H90 AromaticContact CD2-CD2 3.57Å; F86-H90 AromaticContact CD2-NE2 3.79Å; F86-H90 AromaticContact CE1-CD2 3.94Å; F86-H90 AromaticContact CE2-CD2 3.4Å; F86-H90 VanDerWaalsContact CE2-CD2 3.4Å; F86-H90 WeakPolarHBondContact CE2-CD2 3.41Å; F86-H90 AromaticContact CE2-NE2 3.41Å; F86-H90 WeakPolarHBondContact CE2-NE2 3.49Å; F86-H90 AromaticContact CG-CD2 3.91Å; F86-H90 AromaticContact CZ-CD2 3.61Å; F86-H90 AromaticContact CZ-NE2 3.91Å; F86-H90 PolarHBondContact O-CD2 3.34Å; F86-H90 VanDerWaalsContact O-CD2 3.29Å; F86-H90 PolarHBondContact O-N 3.12Å; F86-M104 HydrophobicContact CB-CB 4.26Å; F86-M104 HydrophobicContact CB-CG 4.2Å; F86-M104 HydrophobicContact CD1-CB 3.67Å; F86-M104 HydrophobicContact CD1-CE 4.34Å; F86-M104 HydrophobicContact CD1-CG 3.67Å; F86-M104 HydrophobicContact CD2-CB 4.13Å; F86-M104 HydrophobicContact CE1-CB 3.98Å; F86-M104 HydrophobicContact CE1-CE 4.21Å; F86-M104 HydrophobicContact CE1-CG 4.26Å; F86-M104 HydrophobicContact CE2-CB 4.4Å; F86-M104 HydrophobicContact CG-CB 3.75Å; F86-M104 HydrophobicContact CG-CG 4Å; F86-M104 HydrophobicContact CZ-CB 4.33Å
87C88.9Confident88Confident1 Ų155 Ų551%0.00726%0.258CS..Hα-helixtrans-58.1-40-179.9-72.40000112.1V83 V84 Q91 Q92 V94V83-C87 WeakPolarHBondContact O-CB 3.26Å; V83-C87 PolarHBondContact O-N 3.03Å; V83-C87 PolarHBondContact O-SG 3.44Å; V84-C87 PolarHBondContact O-N 3.14Å; C87-Q91 WeakPolarHBondContact O-CA 3.28Å; C87-Q91 PolarHBondContact O-N 2.75Å; C87-Q92 WeakPolarHBondContact CB-O 3.4Å; C87-Q92 PolarHBondContact O-N 3.21Å; C87-V94 HydrophobicContact CB-CG2 4.31Å
88M85.6Confident87.3Confident46 Ų4662.2 Ų62.223%0.22729%0.294CS..Hα-helixtrans-66-45.6176.2-65-49.9168.500112.1I30 L33 V84 F86 H90 Q91I30-M88 HydrophobicContact CB-CE 3.92Å; I30-M88 HydrophobicContact CD1-CE 3.73Å; I30-M88 HydrophobicContact CG1-CE 3.58Å; L33-M88 HydrophobicContact CD1-CB 4.38Å; L33-M88 HydrophobicContact CD1-CG 4.24Å; L33-M88 HydrophobicContact CD1-SD 3.45Å; L33-M88 WeakPolarHBondContact CD1-SD 3.29Å; V84-M88 HydrophobicContact CG1-CE 4.1Å; V84-M88 HydrophobicContact CG1-CG 4.32Å; V84-M88 VanDerWaalsContact O-CG 3.26Å; V84-M88 WeakPolarHBondContact O-CG 3.5Å; V84-M88 PolarHBondContact O-N 2.89Å; F86-M88 VanDerWaalsContact C-N 3.28Å; F86-M88 PolarHBondContact O-N 3.22Å; M88-H90 VanDerWaalsContact C-N 3.34Å; M88-H90 PolarHBondContact O-N 3.44Å; M88-Q91 PolarHBondContact O-N 3.33Å
89R86.3Confident87.1Confident198 Ų19865.4 Ų65.475%0.74731%0.309SS*.Hα-helixtrans-63.2-38.5179.2-74.1177.6-176.3-177.92.3113.1T85 F86T85-R89 WeakPolarHBondContact O-CG 3.27Å; T85-R89 PolarHBondContact O-N 3.39Å; T85-R89 VanDerWaalsContact O-N 3.13Å; F86-R89 PolarHBondContact O-N 3.29Å; F86-R89 VanDerWaalsContact O-N 3.16Å
90H85.4Confident87Confident109 Ų10966.3 Ų66.351%0.50531%0.314SS..THydrogen-bonded Turntrans-91.91.9-177.8-69.6-82.3000113.6F86 M88 Q92F86-H90 AromaticContact CD2-CD2 3.57Å; F86-H90 AromaticContact CD2-NE2 3.79Å; F86-H90 AromaticContact CE1-CD2 3.94Å; F86-H90 AromaticContact CE2-CD2 3.4Å; F86-H90 VanDerWaalsContact CE2-CD2 3.4Å; F86-H90 WeakPolarHBondContact CE2-CD2 3.41Å; F86-H90 AromaticContact CE2-NE2 3.41Å; F86-H90 WeakPolarHBondContact CE2-NE2 3.49Å; F86-H90 AromaticContact CG-CD2 3.91Å; F86-H90 AromaticContact CZ-CD2 3.61Å; F86-H90 AromaticContact CZ-NE2 3.91Å; F86-H90 PolarHBondContact O-CD2 3.34Å; F86-H90 VanDerWaalsContact O-CD2 3.29Å; F86-H90 PolarHBondContact O-N 3.12Å; M88-H90 VanDerWaalsContact C-N 3.34Å; M88-H90 PolarHBondContact O-N 3.44Å; H90-Q92 HydrophobicContact CB-CG 4.09Å; H90-Q92 PolarHBondContact O-N 3.44Å
91Q80.8Confident87Confident186 Ų18666.9 Ų66.987%0.86932%0.318SS*.THydrogen-bonded Turntrans51.639.1-174.6-60-177.8-9.400112.7C87 M88C87-Q91 WeakPolarHBondContact O-CA 3.28Å; C87-Q91 PolarHBondContact O-N 2.75Å; M88-Q91 PolarHBondContact O-N 3.33Å
92Q83.6Confident86.9Confident105 Ų10569.9 Ų69.949%0.49133%0.329SS..  trans-107.2152.7-179.1-73.9-178.5-16.600111.1C87 H90C87-Q92 WeakPolarHBondContact CB-O 3.4Å; C87-Q92 PolarHBondContact O-N 3.21Å; H90-Q92 HydrophobicContact CB-CG 4.09Å; H90-Q92 PolarHBondContact O-N 3.44Å
93C81.3Confident86.9Confident80 Ų8068 Ų6854%0.54132%0.322SS..PPolyproline II helixtrans-71.3146171.9-68.60000110.5N4N4-C93 PolarHBondContact ND2-SG 3.48Å; N4-C93 VanDerWaalsContact ND2-SG 3.38Å
94V85.1Confident86.8Confident24 Ų2469.7 Ų69.715%0.14533%0.33CS..PPolyproline II helixtrans-58138.8171.5-178.50000109.3L57 R77 V79 V83 C87 R96L57-V94 HydrophobicContact CD1-CG1 4.11Å; L57-V94 HydrophobicContact CD2-CB 4.28Å; L57-V94 HydrophobicContact CD2-CG1 3.93Å; L57-V94 HydrophobicContact CD2-CG2 4.09Å; R77-V94 PolarHBondContact NH2-O 3.36Å; V79-V94 HydrophobicContact CG1-CG1 3.8Å; V79-V94 HydrophobicContact CG2-CG1 4.28Å; V83-V94 HydrophobicContact CG1-CG1 4.09Å; C87-V94 HydrophobicContact CB-CG2 4.31Å; V94-R96 PolarHBondContact O-N 3.34Å
95P83.3Confident86.9Confident32 Ų3276.1 Ų76.121%0.20836%0.362CS..PPolyproline II helixtrans-59.2133179.522.9-35.5000111.9R77 V83 A97 V101 M104R77-P95 VanDerWaalsContact CZ-O 3.26Å; R77-P95 PolarHBondContact NE-O 3.41Å; R77-P95 PolarHBondContact NH2-O 2.87Å; V83-P95 HydrophobicContact CG1-CG 3.91Å; P95-A97 PolarHBondContact O-N 3Å; P95-A97 VanDerWaalsContact O-N 3.16Å; P95-V101 HydrophobicContact CG-CB 4.47Å; P95-V101 HydrophobicContact CG-CG1 4.34Å; P95-V101 HydrophobicContact CG-CG2 4.41Å; P95-M104 HydrophobicContact CG-CE 4.45Å; P95-M104 HydrophobicContact CG-SD 3.9Å
96R82.1Confident87Confident152 Ų15278.1 Ų78.157%0.57437%0.371SS*.  trans-84.835.2177.6-61.8-173-172.5151.212112.6Q6 V94Q6-R96 VanDerWaalsContact OE1-CZ 3.27Å; V94-R96 PolarHBondContact O-N 3.34Å
97A78Confident86.9Confident24 Ų2477.3 Ų77.320%0.19837%0.372CS..  trans-63.2140.4-178.300000111P95 H99 V101P95-A97 PolarHBondContact O-N 3Å; P95-A97 VanDerWaalsContact O-N 3.16Å; A97-H99 WeakPolarHBondContact CB-O 3.24Å; A97-H99 PolarHBondContact O-N 3.43Å; A97-V101 HydrophobicContact CB-CG2 3.56Å
98E78.9Confident86.8Confident202 Ų20285.2 Ų85.294%0.94442%0.415SS*.SBendtrans-76.5-9.5171.6-63.9-175.5166.200112.3
99H88.4Confident87.2Confident68 Ų6886.7 Ų86.732%0.31543%0.426SS..SBendtrans-110.4155.417551.3-93.6000110.8A97 V101 Q129A97-H99 WeakPolarHBondContact CB-O 3.24Å; A97-H99 PolarHBondContact O-N 3.43Å; H99-V101 PolarHBondContact O-N 3.4Å; H99-Q129 PolarHBondContact CD2-O 3.23Å; H99-Q129 PolarHBondContact NE2-O 3.27Å
100P93.2Very high87.5Confident19 Ų1984.1 Ų84.112%0.12343%0.432CS..  trans-61.1131.2173-23.535000112F63 F68 K72 I78F63-P100 HydrophobicContact CD2-CB 3.82Å; F63-P100 HydrophobicContact CE2-CB 3.3Å; F63-P100 HydrophobicContact CZ-CB 3.86Å; F68-P100 HydrophobicContact CE2-CB 4.01Å; F68-P100 HydrophobicContact CE2-CG 4.18Å; F68-P100 HydrophobicContact CZ-CB 4.02Å; F68-P100 HydrophobicContact CZ-CG 3.98Å; K72-P100 HydrophobicContact CD-CG 4.16Å; K72-P100 HydrophobicContact CG-CG 4.1Å; I78-P100 HydrophobicContact CB-CB 4.13Å; I78-P100 HydrophobicContact CB-CG 4.38Å; I78-P100 HydrophobicContact CD1-CG 4.4Å; I78-P100 HydrophobicContact CG2-CB 4.45Å; I78-P100 VanDerWaalsContact O-CA 3.31Å; I78-P100 WeakPolarHBondContact O-CA 3.41Å
101V94.4Very high87.9Confident12 Ų1282.1 Ų82.17%0.07343%0.428CS..BIsolated β-bridgetrans-114.1112.7177.3-178.60000109.7F63 I78 V79 G80 V83 P95 A97 H99 N103 M104 M130F63-V101 VanDerWaalsContact CZ-C 3.45Å; F63-V101 WeakPolarHBondContact CZ-O 3.36Å; I78-V101 PolarHBondContact O-N 3.39Å; I78-V101 VanDerWaalsContact O-N 3.12Å; V79-V101 CarbonylContact C-O 3.56Å; V79-V101 WeakPolarHBondContact CA-O 3.23Å; V79-V101 HydrophobicContact CG1-CB 4.47Å; G80-V101 PolarHBondContact N-O 3.16Å; V83-V101 HydrophobicContact CG2-CB 4.45Å; V83-V101 HydrophobicContact CG2-CG1 3.89Å; V83-V101 WeakPolarHBondContact CG2-O 3.31Å; P95-V101 HydrophobicContact CG-CB 4.47Å; P95-V101 HydrophobicContact CG-CG1 4.34Å; P95-V101 HydrophobicContact CG-CG2 4.41Å; A97-V101 HydrophobicContact CB-CG2 3.56Å; H99-V101 PolarHBondContact O-N 3.4Å; V101-N103 WeakPolarHBondContact CG1-O 3.28Å; V101-M104 HydrophobicContact CG1-SD 4.26Å; V101-M130 CarbonylContact C-O 3.56Å
102Y92.8Very high88.5Confident65 Ų6578.8 Ų78.826%0.25543%0.425SS..  trans-77.2-43.7-176.9-170.6-108000111.9D61 F63 G80 M130D61-Y102 VanDerWaalsContact O-CE2 3.28Å; D61-Y102 WeakPolarHBondContact O-CE2 3.29Å; D61-Y102 PolarHBondContact O-OH 3.42Å; F63-Y102 HydrophobicContact CB-CD2 4.41Å; F63-Y102 AromaticContact CD1-CD2 3.74Å; F63-Y102 HydrophobicContact CD1-CD2 3.74Å; F63-Y102 HydrophobicContact CD1-CE2 4.36Å; F63-Y102 HydrophobicContact CD2-CD2 4.1Å; F63-Y102 AromaticContact CE1-CD2 3.96Å; F63-Y102 HydrophobicContact CE1-CD2 3.96Å; F63-Y102 HydrophobicContact CE2-CD2 4.28Å; F63-Y102 VanDerWaalsContact CE2-N 3.34Å; F63-Y102 AromaticContact CG-CD2 3.81Å; F63-Y102 HydrophobicContact CG-CD2 3.81Å; F63-Y102 HydrophobicContact CZ-CD2 4.24Å; G80-Y102 WeakPolarHBondContact CA-O 3.3Å; Y102-M130 CarbonylContact C-O 3.43Å; Y102-M130 VanDerWaalsContact CA-O 3.28Å; Y102-M130 WeakPolarHBondContact CA-O 3.29Å; Y102-M130 VanDerWaalsContact CB-O 3.29Å; Y102-M130 WeakPolarHBondContact CB-O 2.95Å; Y102-M130 PolarHBondContact N-O 3.48Å
103N91.6Very high89Confident27 Ų2775.3 Ų75.314%0.14441%0.412CS..  trans-148.9-179.9-179.972.253.2000112.6Q82 V101 I105 M130Q82-N103 HydrophobicContact CB-CB 4.05Å; V101-N103 WeakPolarHBondContact CG1-O 3.28Å; N103-I105 VanDerWaalsContact OD1-CB 3.3Å; N103-I105 WeakPolarHBondContact OD1-CB 3.43Å; N103-I105 VanDerWaalsContact OD1-CG1 3.32Å; N103-I105 WeakPolarHBondContact OD1-CG1 3.32Å; N103-I105 PolarHBondContact OD1-N 2.9Å; N103-M130 PolarHBondContact N-O 2.83Å
104M92.1Very high89.7Confident35 Ų3577.1 Ų77.117%0.17242%0.42CS..SBendtrans-11421.6-178.7-63.3-65.4-74.600112.4V83 F86 P95 V101 M106 S107V83-M104 HydrophobicContact CB-CG 4.32Å; V83-M104 HydrophobicContact CG1-CG 4.05Å; V83-M104 HydrophobicContact CG1-SD 4.08Å; V83-M104 HydrophobicContact CG2-CG 4.17Å; V83-M104 HydrophobicContact CG2-SD 4.45Å; F86-M104 HydrophobicContact CB-CB 4.26Å; F86-M104 HydrophobicContact CB-CG 4.2Å; F86-M104 HydrophobicContact CD1-CB 3.67Å; F86-M104 HydrophobicContact CD1-CE 4.34Å; F86-M104 HydrophobicContact CD1-CG 3.67Å; F86-M104 HydrophobicContact CD2-CB 4.13Å; F86-M104 HydrophobicContact CE1-CB 3.98Å; F86-M104 HydrophobicContact CE1-CE 4.21Å; F86-M104 HydrophobicContact CE1-CG 4.26Å; F86-M104 HydrophobicContact CE2-CB 4.4Å; F86-M104 HydrophobicContact CG-CB 3.75Å; F86-M104 HydrophobicContact CG-CG 4Å; F86-M104 HydrophobicContact CZ-CB 4.33Å; P95-M104 HydrophobicContact CG-CE 4.45Å; P95-M104 HydrophobicContact CG-SD 3.9Å; V101-M104 HydrophobicContact CG1-SD 4.26Å; M104-M106 VanDerWaalsContact C-N 3.3Å; M104-M106 PolarHBondContact O-N 2.65Å; M104-S107 WeakPolarHBondContact O-CB 3.28Å; M104-S107 PolarHBondContact O-N 3.44Å; M104-S107 VanDerWaalsContact O-N 3.07Å; M104-S107 PolarHBondContact O-OG 3.17Å
105I92.9Very high90.3Very high135 Ų13581.8 Ų81.869%0.69245%0.454SS*.THydrogen-bonded Turntrans-62.8-39.6-176.8-66.7173.4000111N103 S107N103-I105 VanDerWaalsContact OD1-CB 3.3Å; N103-I105 WeakPolarHBondContact OD1-CB 3.43Å; N103-I105 VanDerWaalsContact OD1-CG1 3.32Å; N103-I105 WeakPolarHBondContact OD1-CG1 3.32Å; N103-I105 PolarHBondContact OD1-N 2.9Å; I105-S107 VanDerWaalsContact C-N 3.28Å
106M91.8Very high90.9Very high66 Ų6684.1 Ų84.133%0.32546%0.464SS..THydrogen-bonded Turntrans-92.819.2176.9-60.2-161.368.500112.8M104 D108 V109 V111 V128M104-M106 VanDerWaalsContact C-N 3.3Å; M104-M106 PolarHBondContact O-N 2.65Å; M106-D108 PolarHBondContact O-N 3.35Å; M106-V109 HydrophobicContact CB-CB 4.33Å; M106-V109 HydrophobicContact CE-CB 4.17Å; M106-V109 HydrophobicContact CE-CG1 3.74Å; M106-V109 WeakPolarHBondContact O-CB 3.3Å; M106-V109 PolarHBondContact O-N 2.89Å; M106-V109 VanDerWaalsContact O-N 3.1Å; M106-V111 HydrophobicContact CE-CG2 3.91Å; M106-V128 HydrophobicContact CE-CB 4.41Å; M106-V128 HydrophobicContact CE-CG1 4.02Å; M106-V128 HydrophobicContact CE-CG2 3.92Å; M106-V128 HydrophobicContact SD-CB 4.19Å; M106-V128 HydrophobicContact SD-CG1 4.23Å; M106-V128 HydrophobicContact SD-CG2 3.96Å
107S87.8Confident91.5Very high38 Ų3881.6 Ų81.627%0.26646%0.463SS..THydrogen-bonded Turntrans-57.3137.4170.2580000109.9M104 I105 V109M104-S107 WeakPolarHBondContact O-CB 3.28Å; M104-S107 PolarHBondContact O-N 3.44Å; M104-S107 VanDerWaalsContact O-N 3.07Å; M104-S107 PolarHBondContact O-OG 3.17Å; I105-S107 VanDerWaalsContact C-N 3.28Å; S107-V109 PolarHBondContact O-N 2.71Å
108D88.4Confident92.3Very high167 Ų16786.8 Ų86.889%0.89348%0.48SS*.THydrogen-bonded Turntrans64.810.6-175.1-52.3-38.1000116.3M106M106-D108 PolarHBondContact O-N 3.35Å
109V92.8Very high93.1Very high77 Ų7783 Ų8347%0.46747%0.467SS..  trans-99.6124.7173.2-1760000110.4M106 S107 V111M106-V109 HydrophobicContact CB-CB 4.33Å; M106-V109 HydrophobicContact CE-CB 4.17Å; M106-V109 HydrophobicContact CE-CG1 3.74Å; M106-V109 WeakPolarHBondContact O-CB 3.3Å; M106-V109 PolarHBondContact O-N 2.89Å; M106-V109 VanDerWaalsContact O-N 3.1Å; S107-V109 PolarHBondContact O-N 2.71Å; V109-V111 HydrophobicContact CG1-CG2 3.91Å
110T93.1Very high93.4Very high143 Ų14384.9 Ų84.988%0.87747%0.474SS*.  trans-110.8118.3172.1-56.50000109.8
111V93.8Very high93.5Very high67 Ų6789.6 Ų89.641%0.40649%0.489SS..  trans-106.2140.7-178.3-177.20000110.3M106 V109 V128M106-V111 HydrophobicContact CE-CG2 3.91Å; V109-V111 HydrophobicContact CG1-CG2 3.91Å; V111-V128 HydrophobicContact CB-CG1 4.33Å; V111-V128 HydrophobicContact CB-CG2 4.38Å; V111-V128 HydrophobicContact CG2-CG1 4.01Å; V111-V128 HydrophobicContact CG2-CG2 4.06Å
112S94.2Very high93.5Very high116 Ų11693.7 Ų93.781%0.81151%0.508SS*.  trans-126.9135.1166.9-172.20000109.2
113C93.9Very high93.6Very high32 Ų3295.1 Ų95.122%0.21652%0.517CS..  trans-107.8134.3-177.2-640000110.9L116 R121C113-L116 HydrophobicContact CB-CD1 4.1Å; C113-R121 HydrophobicContact CB-CG 4.07Å
114T96.3Very high93.8Very high118 Ų11896.2 Ų96.272%0.72453%0.525SS*.  trans-133.1155.1170.5-174.70000109.7L116T114-L116 PolarHBondContact O-N 3.42Å
115S96.1Very high93.9Very high122 Ų12298.6 Ų98.685%0.85354%0.535SS*.SBendtrans59.328.9173.9-47.40000115.2
116L95.8Very high93.8Very high81 Ų8197.6 Ų97.642%0.42453%0.526SS..  trans-109.9146.8173.1-68.3177000110.5C113 T114 K120 R121 V124C113-L116 HydrophobicContact CB-CD1 4.1Å; T114-L116 PolarHBondContact O-N 3.42Å; L116-K120 HydrophobicContact CB-CB 4.49Å; L116-R121 HydrophobicContact CB-CB 4.32Å; L116-V124 HydrophobicContact CD1-CG2 4.36Å
117D96.3Very high93.9Very high100 Ų100100.5 Ų100.554%0.53553%0.534SS..  trans-57.9151.7167.8-55.5-56.1000110.3D119 K120 R121D117-D119 VanDerWaalsContact C-N 3.3Å; D117-D119 PolarHBondContact O-N 3.07Å; D117-K120 HydrophobicContact CB-CD 4.45Å; D117-K120 PolarHBondContact O-N 3.02Å; D117-K120 IonicContact OD2-NZ 4Å; D117-K120 PolarHBondContact OD2-NZ 2.94Å; D117-R121 WeakPolarHBondContact O-CB 3.26Å; D117-R121 PolarHBondContact O-N 3.36Å
118K94.3Very high94.2Very high132 Ų132100.6 Ų100.657%0.57453%0.533SS*.Hα-helixtrans-53.4-47.5-176.6-175.5-178.3170.3-171.80112R121 E122K118-R121 PolarHBondContact O-N 3.22Å; K118-E122 WeakPolarHBondContact CE-OE1 3.14Å; K118-E122 IonicContact NZ-OE1 2.81Å; K118-E122 WeakPolarHBondContact O-CG 3.42Å; K118-E122 PolarHBondContact O-N 3.23Å
119D95.9Very high94.3Very high124 Ų12497 Ų9766%0.66351%0.511SS*.Hα-helixtrans-65.4-43.3-176.8-56.4-19000111.8D117 R121 E122 E123D117-D119 VanDerWaalsContact C-N 3.3Å; D117-D119 PolarHBondContact O-N 3.07Å; D119-R121 VanDerWaalsContact C-N 3.35Å; D119-R121 PolarHBondContact O-N 2.94Å; D119-E122 PolarHBondContact O-N 3.27Å; D119-E123 WeakPolarHBondContact O-CB 3.49Å; D119-E123 PolarHBondContact O-N 2.94Å
120K95.2Very high93.9Very high107 Ų10796.2 Ų96.247%0.46550%0.502SS..Hα-helixtrans-64.5-39.6175.6-72.5176.2-172.6146.90111.8L116 D117 E123 V124L116-K120 HydrophobicContact CB-CB 4.49Å; D117-K120 HydrophobicContact CB-CD 4.45Å; D117-K120 PolarHBondContact O-N 3.02Å; D117-K120 IonicContact OD2-NZ 4Å; D117-K120 PolarHBondContact OD2-NZ 2.94Å; K120-E123 PolarHBondContact O-N 3.01Å; K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.5Å; K120-V124 PolarHBondContact O-N 3.2Å
121R95.1Very high94Very high117 Ų11793.9 Ų93.944%0.44248%0.484SS..Hα-helixtrans-62.9-44.9176.9-175.1-17766.9166.52.2110.8C113 L116 D117 K118 D119 E123 V124 H125C113-R121 HydrophobicContact CB-CG 4.07Å; L116-R121 HydrophobicContact CB-CB 4.32Å; D117-R121 WeakPolarHBondContact O-CB 3.26Å; D117-R121 PolarHBondContact O-N 3.36Å; K118-R121 PolarHBondContact O-N 3.22Å; D119-R121 VanDerWaalsContact C-N 3.35Å; D119-R121 PolarHBondContact O-N 2.94Å; R121-E123 VanDerWaalsContact C-N 3.35Å; R121-V124 PolarHBondContact O-N 2.81Å; R121-H125 WeakPolarHBondContact O-CB 3.43Å; R121-H125 PolarHBondContact O-CD2 3.41Å; R121-H125 PolarHBondContact O-N 3.47Å
122E94.3Very high94Very high98 Ų9895.3 Ų95.346%0.45849%0.488SS..Hα-helixtrans-64-40177-72.9176.6-16900111.9K118 D119 H125 K126K118-E122 WeakPolarHBondContact CE-OE1 3.14Å; K118-E122 IonicContact NZ-OE1 2.81Å; K118-E122 WeakPolarHBondContact O-CG 3.42Å; K118-E122 PolarHBondContact O-N 3.23Å; D119-E122 PolarHBondContact O-N 3.27Å; E122-H125 PolarHBondContact O-N 3.43Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 PolarHBondContact O-N 2.92Å
123E95Very high94Very high95 Ų9594.1 Ų94.144%0.44447%0.47SS..Hα-helixtrans-62-47.2174.1-178.9175.7-149.800112.3D119 K120 R121 H125 K126 Y127D119-E123 WeakPolarHBondContact O-CB 3.49Å; D119-E123 PolarHBondContact O-N 2.94Å; K120-E123 PolarHBondContact O-N 3.01Å; R121-E123 VanDerWaalsContact C-N 3.35Å; E123-H125 PolarHBondContact O-N 2.97Å; E123-K126 WeakPolarHBondContact O-CB 3.49Å; E123-K126 PolarHBondContact O-N 3.02Å; E123-Y127 HydrophobicContact CG-CD2 3.77Å; E123-Y127 HydrophobicContact CG-CE2 3.22Å; E123-Y127 WeakPolarHBondContact O-CD2 3.26Å; E123-Y127 PolarHBondContact O-N 3.19Å; E123-Y127 VanDerWaalsContact OE1-CE2 3.29Å; E123-Y127 WeakPolarHBondContact OE1-CE2 3.34Å; E123-Y127 PolarHBondContact OE1-OH 3.12Å; E123-Y127 VanDerWaalsContact OE1-OH 3.12Å
124V95Very high94Very high51 Ų5197.8 Ų97.831%0.30949%0.485SS..Hα-helixtrans-60.7-46.2176.6171.50000110.6L116 K120 R121 K126 Y127 V128L116-V124 HydrophobicContact CD1-CG2 4.36Å; K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.5Å; K120-V124 PolarHBondContact O-N 3.2Å; R121-V124 PolarHBondContact O-N 2.81Å; V124-K126 VanDerWaalsContact C-N 3.28Å; V124-K126 PolarHBondContact O-N 3.39Å; V124-Y127 PolarHBondContact O-N 2.98Å; V124-V128 HydrophobicContact CG1-CG2 4.1Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.33Å; V124-V128 PolarHBondContact O-N 3.34Å
125H93.4Very high93.9Very high84 Ų8496.5 Ų96.539%0.38947%0.47SS..Hα-helixtrans-59.1-41.8177.6-78.6-140.6000111.5R121 E122 E123 Q129R121-H125 WeakPolarHBondContact O-CB 3.43Å; R121-H125 PolarHBondContact O-CD2 3.41Å; R121-H125 PolarHBondContact O-N 3.47Å; E122-H125 PolarHBondContact O-N 3.43Å; E123-H125 PolarHBondContact O-N 2.97Å; H125-Q129 WeakPolarHBondContact O-CB 3.45Å; H125-Q129 VanDerWaalsContact O-CG 3.28Å; H125-Q129 WeakPolarHBondContact O-CG 3.29Å; H125-Q129 PolarHBondContact O-N 3.2Å
126K92.4Very high93.7Very high114 Ų11494.8 Ų94.850%0.49644%0.444SS..Hα-helixtrans-60.5-46.5176.7-179.9-173.8174.3-170.80111.8E122 E123 V124 M130E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 PolarHBondContact O-N 2.92Å; E123-K126 WeakPolarHBondContact O-CB 3.49Å; E123-K126 PolarHBondContact O-N 3.02Å; V124-K126 VanDerWaalsContact C-N 3.28Å; V124-K126 PolarHBondContact O-N 3.39Å; K126-M130 HydrophobicContact CG-SD 4.14Å; K126-M130 WeakPolarHBondContact O-CG 3.45Å; K126-M130 PolarHBondContact O-N 2.94Å
127Y93.8Very high93.6Very high128 Ų12895.8 Ų95.850%0.50245%0.446SS..Hα-helixtrans-74.5-32.5-178.3-65.6-45.3000113.8E123 V124 Q129 M130E123-Y127 HydrophobicContact CG-CD2 3.77Å; E123-Y127 HydrophobicContact CG-CE2 3.22Å; E123-Y127 WeakPolarHBondContact O-CD2 3.26Å; E123-Y127 PolarHBondContact O-N 3.19Å; E123-Y127 VanDerWaalsContact OE1-CE2 3.29Å; E123-Y127 WeakPolarHBondContact OE1-CE2 3.34Å; E123-Y127 PolarHBondContact OE1-OH 3.12Å; E123-Y127 VanDerWaalsContact OE1-OH 3.12Å; V124-Y127 PolarHBondContact O-N 2.98Å; Y127-Q129 PolarHBondContact O-N 2.91Å; Y127-M130 PolarHBondContact O-N 3.27Å
128V93.1Very high93.3Very high39 Ų3995.5 Ų95.524%0.23644%0.439CS..Hα-helixtrans-66.7-32176.2171.40000111.4M106 V111 V124M106-V128 HydrophobicContact CE-CB 4.41Å; M106-V128 HydrophobicContact CE-CG1 4.02Å; M106-V128 HydrophobicContact CE-CG2 3.92Å; M106-V128 HydrophobicContact SD-CB 4.19Å; M106-V128 HydrophobicContact SD-CG1 4.23Å; M106-V128 HydrophobicContact SD-CG2 3.96Å; V111-V128 HydrophobicContact CB-CG1 4.33Å; V111-V128 HydrophobicContact CB-CG2 4.38Å; V111-V128 HydrophobicContact CG2-CG1 4.01Å; V111-V128 HydrophobicContact CG2-CG2 4.06Å; V124-V128 HydrophobicContact CG1-CG2 4.1Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.33Å; V124-V128 PolarHBondContact O-N 3.34Å
129Q89.8Confident93.3Very high92 Ų9292.4 Ų92.443%0.4343%0.427SS..Hα-helixtrans-83.1-19.1-179.8-74.5179.1-16.900114.1H99 H125 Y127H99-Q129 PolarHBondContact CD2-O 3.23Å; H99-Q129 PolarHBondContact NE2-O 3.27Å; H125-Q129 WeakPolarHBondContact O-CB 3.45Å; H125-Q129 VanDerWaalsContact O-CG 3.28Å; H125-Q129 WeakPolarHBondContact O-CG 3.29Å; H125-Q129 PolarHBondContact O-N 3.2Å; Y127-Q129 PolarHBondContact O-N 2.91Å
130M86.3Confident93Very high60 Ų6089.5 Ų89.530%0.29641%0.406SS..  trans-87.20178.4-78.5-179.157.900111.3F63 V101 Y102 N103 K126 Y127F63-M130 HydrophobicContact CB-CE 4.3Å; F63-M130 HydrophobicContact CD2-CE 3.97Å; V101-M130 CarbonylContact C-O 3.56Å; Y102-M130 CarbonylContact C-O 3.43Å; Y102-M130 VanDerWaalsContact CA-O 3.28Å; Y102-M130 WeakPolarHBondContact CA-O 3.29Å; Y102-M130 VanDerWaalsContact CB-O 3.29Å; Y102-M130 WeakPolarHBondContact CB-O 2.95Å; Y102-M130 PolarHBondContact N-O 3.48Å; N103-M130 PolarHBondContact N-O 2.83Å; K126-M130 HydrophobicContact CG-SD 4.14Å; K126-M130 WeakPolarHBondContact O-CG 3.45Å; K126-M130 PolarHBondContact O-N 2.94Å; Y127-M130 PolarHBondContact O-N 3.27Å

Retrieved 130 of 130 residues in 350.1 ms (Link to these results)

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