G4VJ06_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VJ06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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
1M35Very low73.3Confident247 Ų247109.2 Ų109.2100%1.21761%0.605SS**  0102.30-66.7-179.1-171.700107.7
2S41.6Very low75.1Confident84 Ų84104 Ų10459%0.58758%0.582SS**  trans-78.7118.217065.80000107.5S4S2-S4 PolarHBondContact O-N 3.48Å
3C43.9Very low76.6Confident134 Ų134102.2 Ų102.291%0.90558%0.575SS**  trans-56.5101167.5-87.10000108.6R5C3-R5 PolarHBondContact O-N 3.4Å
4S60.1Low78Confident67 Ų6795.4 Ų95.447%0.46954%0.537SS..PPolyproline II helixtrans-62.8129.1168.248.30000107.7S2S2-S4 PolarHBondContact O-N 3.48Å
5R73.4Confident79.2Confident194 Ų19495 Ų9573%0.73254%0.538SS*.PPolyproline II helixtrans-51.1139.3173-69.1179.3-179.8175.6-2.6109.3C3 F7 W64C3-R5 PolarHBondContact O-N 3.4Å; R5-F7 PolarHBondContact O-N 3.17Å; R5-W64 HydrophobicContact CB-CZ2 3.8Å; R5-W64 PolarHBondContact O-NE1 3.3Å
6P83.8Confident80.3Confident106 Ų10693.2 Ų93.269%0.68853%0.533SS*.PPolyproline II helixtrans-59.3140.8177.326.6-34.1000109.8V8P6-V8 HydrophobicContact CB-CG2 4.2Å; P6-V8 PolarHBondContact O-N 3.42Å
7F90.2Very high81.3Confident54 Ų5490.6 Ų90.624%0.23752%0.515CS..  trans-77.3100.8174176-105000108.6R5 P9 A60 E61 W64 V78R5-F7 PolarHBondContact O-N 3.17Å; F7-P9 HydrophobicContact CE1-CG 3.92Å; F7-P9 HydrophobicContact CE2-CG 4.4Å; F7-P9 HydrophobicContact CZ-CG 3.78Å; F7-A60 HydrophobicContact CE2-CB 3.86Å; F7-A60 HydrophobicContact CZ-CB 3.72Å; F7-E61 HydrophobicContact CD1-CB 4.18Å; F7-E61 HydrophobicContact CD1-CG 4.19Å; F7-E61 HydrophobicContact CE1-CB 4.23Å; F7-E61 HydrophobicContact CG-CB 4.49Å; F7-E61 HydrophobicContact CG-CG 4.41Å; F7-W64 HydrophobicContact CB-CG 4.22Å; F7-W64 HydrophobicContact CD2-CB 3.73Å; F7-W64 HydrophobicContact CD2-CD2 4.13Å; F7-W64 AromaticContact CD2-CG 3.7Å; F7-W64 HydrophobicContact CD2-CG 3.7Å; F7-W64 HydrophobicContact CE2-CB 4.34Å; F7-W64 HydrophobicContact CG-CG 4.43Å; F7-V78 HydrophobicContact CE2-CB 4.26Å; F7-V78 HydrophobicContact CE2-CG1 4.2Å; F7-V78 HydrophobicContact CE2-CG2 4.01Å; F7-V78 HydrophobicContact CZ-CG1 4.36Å
8V92.5Very high82.2Confident110 Ų11085.7 Ų85.767%0.66749%0.487SS*.  trans-133.3102.7176.8-176.30000107.9P6 K10P6-V8 HydrophobicContact CB-CG2 4.2Å; P6-V8 PolarHBondContact O-N 3.42Å; V8-K10 PolarHBondContact O-N 3.31Å
9P94.1Very high83Confident22 Ų2285.5 Ų85.514%0.14349%0.488CS..  trans-58.7136.1174-25.535.6000111.7F7 V78 E80 L91F7-P9 HydrophobicContact CE1-CG 3.92Å; F7-P9 HydrophobicContact CE2-CG 4.4Å; F7-P9 HydrophobicContact CZ-CG 3.78Å; P9-V78 CarbonylContact C-O 3.52Å; P9-V78 VanDerWaalsContact CA-O 3.27Å; P9-V78 WeakPolarHBondContact CA-O 3.28Å; P9-V78 HydrophobicContact CB-CG1 4.15Å; P9-V78 HydrophobicContact CG-CG1 4.19Å; P9-E80 HydrophobicContact CB-CB 4.15Å; P9-L91 HydrophobicContact CB-CD1 4.38Å; P9-L91 HydrophobicContact CG-CD1 4.26Å
10K96.6Very high83.7Confident63 Ų6384.1 Ų84.127%0.27448%0.478SS..BIsolated β-bridgetrans-70.8135.7173.5-68.6174.7171.8176.10109.9V8 E17 D77 V78 F79 E80V8-K10 PolarHBondContact O-N 3.31Å; K10-E17 IonicContact NZ-OE1 3.91Å; K10-E17 PolarHBondContact NZ-OE1 2.61Å; K10-E17 IonicContact NZ-OE2 2.83Å; K10-E17 PolarHBondContact NZ-OE2 2.93Å; K10-D77 WeakPolarHBondContact CE-OD1 3.29Å; K10-D77 VanDerWaalsContact NZ-CG 3.27Å; K10-D77 IonicContact NZ-OD1 3.22Å; K10-D77 PolarHBondContact NZ-OD1 3.1Å; K10-D77 IonicContact NZ-OD2 2.66Å; K10-D77 PolarHBondContact NZ-OD2 2.64Å; K10-V78 PolarHBondContact N-O 2.69Å; K10-F79 HydrophobicContact CB-CD1 3.48Å; K10-F79 VanDerWaalsContact CB-CD1 3.48Å; K10-F79 HydrophobicContact CB-CE1 3.75Å; K10-F79 HydrophobicContact CB-CG 4.1Å; K10-F79 HydrophobicContact CD-CD1 4.06Å; K10-F79 HydrophobicContact CD-CE1 3.46Å; K10-F79 VanDerWaalsContact CD-CE1 3.46Å; K10-F79 HydrophobicContact CD-CE2 4.26Å; K10-F79 HydrophobicContact CD-CZ 3.57Å; K10-F79 HydrophobicContact CG-CD1 4.41Å; K10-F79 HydrophobicContact CG-CE1 4.26Å; K10-F79 CarbonylContact O-C 3.21Å; K10-F79 VanDerWaalsContact O-CA 3.25Å; K10-F79 WeakPolarHBondContact O-CA 3.34Å; K10-E80 PolarHBondContact O-N 2.97Å
11T94.6Very high84.3Confident120 Ų12081.4 Ų81.474%0.73646%0.463SS*.  trans-96.1-8.4176.9550000113.2
12S95.2Very high87Confident47 Ų4777.4 Ų77.433%0.32945%0.447SS..SBendtrans-59.8152.2169.951.50000110.4I14 F79 N81S12-I14 PolarHBondContact O-N 2.92Å; S12-F79 WeakPolarHBondContact O-CD1 3.47Å; S12-N81 PolarHBondContact O-ND2 2.7Å
13T94.6Very high89.5Confident81 Ų8177 Ų7750%0.49744%0.438SS..  trans-65.3129.6173.850.80000109.4T15 S16 N81T13-T15 PolarHBondContact O-N 2.83Å; T13-S16 VanDerWaalsContact O-CB 3.3Å; T13-S16 WeakPolarHBondContact O-CB 3.3Å; T13-S16 PolarHBondContact O-N 3.32Å; T13-S16 PolarHBondContact O-OG 2.8Å; T13-N81 WeakPolarHBondContact CA-OD1 3.45Å
14I96.1Very high91.8Very high6 Ų673.6 Ų73.63%0.03141%0.413CS..G310 helixtrans-53.8-32.5-179-173.7165.9000112.3S12 S16 E17 Y18 I20 L47 F79 N81 L92 V94S12-I14 PolarHBondContact O-N 2.92Å; I14-S16 PolarHBondContact O-N 3.45Å; I14-E17 PolarHBondContact O-N 2.76Å; I14-E17 VanDerWaalsContact O-N 3.09Å; I14-Y18 HydrophobicContact CG1-CD2 4.2Å; I14-Y18 PolarHBondContact O-N 3.39Å; I14-I20 HydrophobicContact CG2-CD1 3.81Å; I14-L47 HydrophobicContact CD1-CD1 3.58Å; I14-L47 HydrophobicContact CD1-CD2 3.81Å; I14-L47 HydrophobicContact CD1-CG 4.35Å; I14-F79 HydrophobicContact CB-CB 4.5Å; I14-F79 HydrophobicContact CB-CD1 4.31Å; I14-F79 HydrophobicContact CB-CD2 4.31Å; I14-F79 HydrophobicContact CB-CG 4.14Å; I14-F79 HydrophobicContact CD1-CD2 4.04Å; I14-F79 HydrophobicContact CD1-CE2 4.39Å; I14-F79 HydrophobicContact CG1-CD2 3.98Å; I14-F79 HydrophobicContact CG1-CE2 4.06Å; I14-F79 HydrophobicContact CG1-CG 4.32Å; I14-F79 HydrophobicContact CG1-CZ 4.47Å; I14-N81 PolarHBondContact N-OD1 3.4Å; I14-L92 HydrophobicContact CB-CD1 3.84Å; I14-L92 HydrophobicContact CD1-CB 4.09Å; I14-L92 HydrophobicContact CD1-CD1 3.89Å; I14-L92 HydrophobicContact CG1-CD1 4.48Å; I14-L92 HydrophobicContact CG2-CD1 3.62Å; I14-V94 HydrophobicContact CD1-CG2 4.15Å
15T95.9Very high93.3Very high90 Ų9073.1 Ų73.155%0.55241%0.405SS*.G310 helixtrans-65.5-16.3179.453.60000113.9T13 E17 Y18 N39T13-T15 PolarHBondContact O-N 2.83Å; T15-E17 VanDerWaalsContact C-N 3.31Å; T15-Y18 WeakPolarHBondContact CA-O 3.45Å; T15-N39 PolarHBondContact O-ND2 2.8Å
16S96.4Very high93.8Very high66 Ų6665.2 Ų65.246%0.46238%0.384SS..G310 helixtrans-66.7-33171.864.10000112.4T13 I14 N39T13-S16 VanDerWaalsContact O-CB 3.3Å; T13-S16 WeakPolarHBondContact O-CB 3.3Å; T13-S16 PolarHBondContact O-N 3.32Å; T13-S16 PolarHBondContact O-OG 2.8Å; I14-S16 PolarHBondContact O-N 3.45Å; S16-N39 PolarHBondContact O-ND2 2.82Å
17E97.3Very high93.6Very high49 Ų4967.1 Ų67.123%0.22939%0.388CS..THydrogen-bonded Turntrans-110.9-26.7-176-67177.8-123.600112.9K10 I14 T15 N39 F79K10-E17 IonicContact NZ-OE1 3.91Å; K10-E17 PolarHBondContact NZ-OE1 2.61Å; K10-E17 IonicContact NZ-OE2 2.83Å; K10-E17 PolarHBondContact NZ-OE2 2.93Å; I14-E17 PolarHBondContact O-N 2.76Å; I14-E17 VanDerWaalsContact O-N 3.09Å; T15-E17 VanDerWaalsContact C-N 3.31Å; E17-N39 VanDerWaalsContact C-ND2 3.27Å; E17-N39 WeakPolarHBondContact O-CB 3.44Å; E17-N39 PolarHBondContact O-N 2.77Å; E17-N39 PolarHBondContact O-ND2 3.37Å; E17-F79 HydrophobicContact CB-CZ 4.31Å; E17-F79 WeakPolarHBondContact OE1-CE1 3.04Å
18Y98.2Very high92.6Very high2 Ų266 Ų661%0.00839%0.391CS..EExtended strand (participates in β ladder)trans-133.8135.4-173.8-62.9-93.5000113.2I14 T15 I37 H38 N39 Y45 D77 F79 V94I14-Y18 HydrophobicContact CG1-CD2 4.2Å; I14-Y18 PolarHBondContact O-N 3.39Å; T15-Y18 WeakPolarHBondContact CA-O 3.45Å; Y18-I37 CarbonylContact C-O 3.49Å; Y18-I37 VanDerWaalsContact CA-O 3.26Å; Y18-I37 WeakPolarHBondContact CA-O 3.44Å; Y18-H38 HydrophobicContact CD1-CB 3.94Å; Y18-H38 HydrophobicContact CE1-CB 3.72Å; Y18-H38 AromaticContact CE1-CD2 3.74Å; Y18-H38 AromaticContact CZ-CD2 3.65Å; Y18-N39 VanDerWaalsContact C-OD1 3.31Å; Y18-N39 PolarHBondContact N-ND2 2.83Å; Y18-Y45 HydrophobicContact CD1-CD2 4.23Å; Y18-Y45 AromaticContact CE1-CD2 3.63Å; Y18-Y45 HydrophobicContact CE1-CD2 3.63Å; Y18-Y45 AromaticContact CE1-CE2 3.98Å; Y18-Y45 HydrophobicContact CE1-CE2 3.98Å; Y18-Y45 HydrophobicContact CE1-CG 4.3Å; Y18-D77 PolarHBondContact OH-OD2 2.72Å; Y18-F79 HydrophobicContact CD2-CE2 4.01Å; Y18-F79 HydrophobicContact CD2-CZ 4.02Å; Y18-F79 AromaticContact CE2-CE2 3.79Å; Y18-F79 HydrophobicContact CE2-CE2 3.79Å; Y18-F79 AromaticContact CE2-CZ 3.83Å; Y18-F79 HydrophobicContact CE2-CZ 3.83Å; Y18-V94 HydrophobicContact CD1-CG1 4.43Å; Y18-V94 HydrophobicContact CD2-CG2 4.45Å; Y18-V94 HydrophobicContact CE1-CG1 3.78Å; Y18-V94 HydrophobicContact CE2-CG2 4.23Å
19T98Very high91.4Very high82 Ų8264.6 Ų64.650%0.50338%0.379SS..EExtended strand (participates in β ladder)trans-85.7115.6166.8-63.90000109.2C36 I37 N39T19-C36 CarbonylContact O-C 3.41Å; T19-C36 VanDerWaalsContact O-CA 3.25Å; T19-C36 WeakPolarHBondContact O-CA 3.18Å; T19-I37 PolarHBondContact N-O 3.05Å; T19-I37 PolarHBondContact O-N 3.49Å; T19-N39 PolarHBondContact N-OD1 2.79Å; T19-N39 PolarHBondContact OG1-OD1 3.01Å
20I96.2Very high90.2Very high57 Ų5765.1 Ų65.129%0.29238%0.382SS..EExtended strand (participates in β ladder)trans-83122.4176.6-55.1176.4000108.8I14 M34 L47I14-I20 HydrophobicContact CG2-CD1 3.81Å; I20-M34 HydrophobicContact CG2-CE 3.21Å; I20-L47 HydrophobicContact CD1-CD2 3.65Å; I20-L47 HydrophobicContact CG1-CD2 3.78Å; I20-L47 HydrophobicContact CG2-CD2 4.1Å
21T95.7Very high89.3Confident28 Ų2863 Ų6317%0.17238%0.378CS..EExtended strand (participates in β ladder)trans-88.7165.9179.476.60000111.3N23 Q35 I37T21-N23 PolarHBondContact O-N 3.09Å; T21-N23 PolarHBondContact OG1-N 3.35Å; T21-Q35 WeakPolarHBondContact CB-O 3.26Å; T21-Q35 HydrophobicContact CG2-CG 4.4Å; T21-Q35 PolarHBondContact N-O 3.16Å; T21-Q35 WeakPolarHBondContact OG1-CB 3.33Å; T21-Q35 PolarHBondContact OG1-O 2.91Å; T21-I37 HydrophobicContact CG2-CD1 4.03Å; T21-I37 HydrophobicContact CG2-CG1 4.15Å
22N93Very high89.1Confident163 Ų16361.4 Ų61.487%0.87236%0.361SS*.EExtended strand (participates in β ladder)trans-78.3-3.8172.7-68.2-30.2000113.5V24N22-V24 PolarHBondContact O-N 2.87Å
23N93.6Very high89.1Confident76 Ų7660.4 Ų60.441%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-76.6117.6-176.9-175.422000110.8T21 M34 Q35T21-N23 PolarHBondContact O-N 3.09Å; T21-N23 PolarHBondContact OG1-N 3.35Å; N23-M34 CarbonylContact O-C 3.49Å; N23-M34 WeakPolarHBondContact O-CA 3.48Å; N23-Q35 HydrophobicContact CB-CB 4.15Å; N23-Q35 PolarHBondContact ND2-OE1 3.33Å; N23-Q35 PolarHBondContact O-N 3.19Å
24V93.3Very high89.2Confident62 Ų6257.7 Ų57.738%0.37633%0.334SS..EExtended strand (participates in β ladder)trans-90.6115.5178.9-173.60000108.6N22 L27 K32N22-V24 PolarHBondContact O-N 2.87Å; V24-L27 HydrophobicContact CG1-CD2 4.2Å; V24-K32 HydrophobicContact CG1-CG 4.17Å
25L91.1Very high89.2Confident57 Ų5758.4 Ų58.430%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-84-26.3-179.4-61.2179.9000112.4V33 Q35 A46 Y97L25-V33 HydrophobicContact CB-CG1 4.14Å; L25-V33 HydrophobicContact CD1-CG1 4.45Å; L25-V33 PolarHBondContact N-O 2.92Å; L25-Q35 HydrophobicContact CD1-CB 3.99Å; L25-Q35 HydrophobicContact CD2-CB 4.09Å; L25-Q35 HydrophobicContact CG-CB 4.01Å; L25-A46 HydrophobicContact CD1-CB 3.74Å; L25-Y97 HydrophobicContact CD1-CD2 3.69Å; L25-Y97 HydrophobicContact CD1-CE2 3.59Å; L25-Y97 HydrophobicContact CD2-CE2 3.57Å; L25-Y97 HydrophobicContact CG-CE2 4.21Å
26G84Confident89.3Confident28 Ų2854.1 Ų54.129%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-177.8156.9178.100000113.1V33G26-V33 PolarHBondContact N-O 2.92Å; G26-V33 PolarHBondContact O-N 3.43Å
27L79.9Confident89.4Confident147 Ų14753.4 Ų53.477%0.7730%0.302SS*.EExtended strand (participates in β ladder)trans-110.394.8172-63.9173.6000107.4V24 K32V24-L27 HydrophobicContact CG1-CD2 4.2Å; L27-K32 HydrophobicContact CD2-CB 4.38Å; L27-K32 HydrophobicContact CD2-CG 4Å
28G67.8Low89.5Confident30 Ų3052.4 Ų52.431%0.30930%0.297SS..  trans-78.7163.617600000111.5T30 G31G28-T30 PolarHBondContact O-N 2.83Å; G28-G31 WeakPolarHBondContact CA-O 3.38Å; G28-G31 PolarHBondContact N-O 3.05Å; G28-G31 PolarHBondContact O-N 3.36Å
29I67Low89.4Confident81 Ų8155.6 Ų55.642%0.41531%0.314SS..SBendtrans-63-33.8176.3-64.4165.7000111F165I29-F165 HydrophobicContact CB-CE2 4.38Å; I29-F165 HydrophobicContact CD1-CE2 3.83Å; I29-F165 HydrophobicContact CD1-CZ 4.15Å; I29-F165 HydrophobicContact CG2-CE2 4.27Å; I29-F165 HydrophobicContact CG2-CZ 4Å
30T69.1Low89.4Confident33 Ų3360.1 Ų60.120%0.20233%0.33CS..SBendtrans-90-19.3-178.358.50000113.9G28 K48 L50 E59G28-T30 PolarHBondContact O-N 2.83Å; T30-K48 WeakPolarHBondContact OG1-CE 3.38Å; T30-K48 PolarHBondContact OG1-NZ 3.4Å; T30-K48 VanDerWaalsContact OG1-NZ 3.07Å; T30-L50 VanDerWaalsContact C-CD2 3.42Å; T30-L50 WeakPolarHBondContact O-CD2 3.47Å; T30-E59 PolarHBondContact OG1-OE1 2.63Å; T30-E59 PolarHBondContact OG1-OE2 2.79Å
31G78.8Confident89.4Confident18 Ų1861.3 Ų61.319%0.18634%0.34CS..  trans171.3173.4179.600000114.5G28 I49G28-G31 WeakPolarHBondContact CA-O 3.38Å; G28-G31 PolarHBondContact N-O 3.05Å; G28-G31 PolarHBondContact O-N 3.36Å; G31-I49 WeakPolarHBondContact CA-O 3.45Å
32K90.6Very high89.5Confident87 Ų8762.3 Ų62.338%0.37836%0.355SS..EExtended strand (participates in β ladder)trans-78137.6179.3-175.5178.5-176.2-1690110.1V24 L27 M34 I49V24-K32 HydrophobicContact CG1-CG 4.17Å; L27-K32 HydrophobicContact CD2-CB 4.38Å; L27-K32 HydrophobicContact CD2-CG 4Å; K32-M34 HydrophobicContact CD-CG 4.01Å; K32-M34 HydrophobicContact CD-SD 3.85Å; K32-M34 VanDerWaalsContact CE-SD 3.51Å; K32-M34 HydrophobicContact CG-CG 3.93Å; K32-M34 HydrophobicContact CG-SD 4.44Å; K32-M34 PolarHBondContact NZ-SD 2.93Å; K32-M34 VanDerWaalsContact NZ-SD 3.42Å; K32-I49 PolarHBondContact O-N 2.68Å
33V94.6Very high89.7Confident25 Ų2557.6 Ų57.615%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-109.2124172-172.10000108.9L25 G26 A46 L47 K48 M95L25-V33 HydrophobicContact CB-CG1 4.14Å; L25-V33 HydrophobicContact CD1-CG1 4.45Å; L25-V33 PolarHBondContact N-O 2.92Å; G26-V33 PolarHBondContact N-O 2.92Å; G26-V33 PolarHBondContact O-N 3.43Å; V33-A46 HydrophobicContact CG1-CB 4.05Å; V33-L47 CarbonylContact C-O 3.59Å; V33-L47 VanDerWaalsContact CA-O 3.28Å; V33-L47 WeakPolarHBondContact CA-O 3.46Å; V33-K48 HydrophobicContact CG2-CB 4.26Å; V33-K48 HydrophobicContact CG2-CG 4.11Å; V33-M95 HydrophobicContact CG1-CE 4.43Å
34M96.1Very high89.9Confident24 Ų2456.9 Ų56.912%0.11833%0.327CS..EExtended strand (participates in β ladder)trans-120.5159.4-179.8-51.6-156.5-56.100110.4I20 N23 K32 A46 L47 I49I20-M34 HydrophobicContact CG2-CE 3.21Å; N23-M34 CarbonylContact O-C 3.49Å; N23-M34 WeakPolarHBondContact O-CA 3.48Å; K32-M34 HydrophobicContact CD-CG 4.01Å; K32-M34 HydrophobicContact CD-SD 3.85Å; K32-M34 VanDerWaalsContact CE-SD 3.51Å; K32-M34 HydrophobicContact CG-CG 3.93Å; K32-M34 HydrophobicContact CG-SD 4.44Å; K32-M34 PolarHBondContact NZ-SD 2.93Å; K32-M34 VanDerWaalsContact NZ-SD 3.42Å; M34-A46 CarbonylContact O-C 3.52Å; M34-L47 PolarHBondContact N-O 2.88Å; M34-L47 PolarHBondContact O-N 2.8Å; M34-I49 HydrophobicContact CE-CD1 3.41Å; M34-I49 VanDerWaalsContact CE-CD1 3.41Å; M34-I49 HydrophobicContact CG-CD1 4.15Å; M34-I49 HydrophobicContact SD-CD1 4.14Å
35Q97.3Very high90.1Very high21 Ų2156 Ų5610%0.09832%0.317CS..EExtended strand (participates in β ladder)trans-82.1137171.1178.7179.536.500110.1T21 N23 L25 Q44 Y45T21-Q35 WeakPolarHBondContact CB-O 3.26Å; T21-Q35 HydrophobicContact CG2-CG 4.4Å; T21-Q35 PolarHBondContact N-O 3.16Å; T21-Q35 WeakPolarHBondContact OG1-CB 3.33Å; T21-Q35 PolarHBondContact OG1-O 2.91Å; N23-Q35 HydrophobicContact CB-CB 4.15Å; N23-Q35 PolarHBondContact ND2-OE1 3.33Å; N23-Q35 PolarHBondContact O-N 3.19Å; L25-Q35 HydrophobicContact CD1-CB 3.99Å; L25-Q35 HydrophobicContact CD2-CB 4.09Å; L25-Q35 HydrophobicContact CG-CB 4.01Å; Q35-Q44 VanDerWaalsContact NE2-CD 3.34Å; Q35-Y45 WeakPolarHBondContact CA-O 3.43Å
36C97.9Very high90.4Very high0 Ų053.7 Ų53.70%031%0.306CS..EExtended strand (participates in β ladder)trans-129.2162168.964.20000111.1T19 Q44 Y45 L47T19-C36 CarbonylContact O-C 3.41Å; T19-C36 VanDerWaalsContact O-CA 3.25Å; T19-C36 WeakPolarHBondContact O-CA 3.18Å; C36-Q44 WeakPolarHBondContact O-CA 3.25Å; C36-Y45 PolarHBondContact N-O 2.79Å; C36-Y45 PolarHBondContact O-N 3.35Å; C36-L47 HydrophobicContact CB-CB 4.25Å
37I98.3Very high91.1Very high51 Ų5152.4 Ų52.426%0.26229%0.293SS..EExtended strand (participates in β ladder)trans-128.8127.6-177.4-56.9174.9000107.7Y18 T19 T21 N39 V43 Q44Y18-I37 CarbonylContact C-O 3.49Å; Y18-I37 VanDerWaalsContact CA-O 3.26Å; Y18-I37 WeakPolarHBondContact CA-O 3.44Å; T19-I37 PolarHBondContact N-O 3.05Å; T19-I37 PolarHBondContact O-N 3.49Å; T21-I37 HydrophobicContact CG2-CD1 4.03Å; T21-I37 HydrophobicContact CG2-CG1 4.15Å; I37-N39 PolarHBondContact O-N 2.69Å; I37-V43 WeakPolarHBondContact CA-O 3.42Å; I37-Q44 HydrophobicContact CG1-CG 4.24Å
38H98.1Very high91.8Very high29 Ų2945.8 Ų45.813%0.13426%0.258CS..EExtended strand (participates in β ladder)trans-68.9125.5174.9-175.4-69.3000109.8Y18 E40 T41 G42 V43 Y45Y18-H38 HydrophobicContact CD1-CB 3.94Å; Y18-H38 HydrophobicContact CE1-CB 3.72Å; Y18-H38 AromaticContact CE1-CD2 3.74Å; Y18-H38 AromaticContact CZ-CD2 3.65Å; H38-E40 IonicContact CE1-OE2 3.44Å; H38-E40 PolarHBondContact ND1-N 2.81Å; H38-E40 PolarHBondContact O-N 2.86Å; H38-T41 WeakPolarHBondContact CB-OG1 3.41Å; H38-T41 PolarHBondContact ND1-N 2.83Å; H38-T41 PolarHBondContact ND1-OG1 2.94Å; H38-T41 PolarHBondContact O-N 3.12Å; H38-G42 WeakPolarHBondContact O-CA 3.49Å; H38-G42 PolarHBondContact O-N 3.49Å; H38-V43 PolarHBondContact N-O 2.85Å; H38-Y45 HydrophobicContact CB-CD2 4.19Å; H38-Y45 HydrophobicContact CB-CE2 3.74Å
39N97.3Very high93.1Very high69 Ų6946.2 Ų46.237%0.36925%0.252SS..THydrogen-bonded Turntrans-59.6-43.5-167.8-69.1-19.5000112.4T15 S16 E17 Y18 T19 I37T15-N39 PolarHBondContact O-ND2 2.8Å; S16-N39 PolarHBondContact O-ND2 2.82Å; E17-N39 VanDerWaalsContact C-ND2 3.27Å; E17-N39 WeakPolarHBondContact O-CB 3.44Å; E17-N39 PolarHBondContact O-N 2.77Å; E17-N39 PolarHBondContact O-ND2 3.37Å; Y18-N39 VanDerWaalsContact C-OD1 3.31Å; Y18-N39 PolarHBondContact N-ND2 2.83Å; T19-N39 PolarHBondContact N-OD1 2.79Å; T19-N39 PolarHBondContact OG1-OD1 3.01Å; I37-N39 PolarHBondContact O-N 2.69Å
40E97.1Very high94.4Very high176 Ų17642.5 Ų42.582%0.82223%0.233SC*.THydrogen-bonded Turntrans-79.5-37.6-176.3-56.5179.4165.800114H38H38-E40 IonicContact CE1-OE2 3.44Å; H38-E40 PolarHBondContact ND1-N 2.81Å; H38-E40 PolarHBondContact O-N 2.86Å
41T97.2Very high95.6Very high82 Ų8245.4 Ų45.450%0.50325%0.245SC..THydrogen-bonded Turntrans-98.7-15.2-170.262.60000112.9H38 V43H38-T41 WeakPolarHBondContact CB-OG1 3.41Å; H38-T41 PolarHBondContact ND1-N 2.83Å; H38-T41 PolarHBondContact ND1-OG1 2.94Å; H38-T41 PolarHBondContact O-N 3.12Å; T41-V43 PolarHBondContact O-N 2.81Å; T41-V43 VanDerWaalsContact O-N 3.16Å; T41-V43 WeakPolarHBondContact OG1-CG2 3.41Å; T41-V43 PolarHBondContact OG1-N 2.99Å
42G97.2Very high96.3Very high49 Ų4946 Ų4651%0.50524%0.244SC..  trans67.84.8-173.200000114.3H38H38-G42 WeakPolarHBondContact O-CA 3.49Å; H38-G42 PolarHBondContact O-N 3.49Å
43V97.4Very high96.4Very high64 Ų6445.4 Ų45.439%0.38825%0.245SC..  trans-72.2134.9-177.8179.40000110.1I37 H38 T41 Y45I37-V43 WeakPolarHBondContact CA-O 3.42Å; H38-V43 PolarHBondContact N-O 2.85Å; T41-V43 PolarHBondContact O-N 2.81Å; T41-V43 VanDerWaalsContact O-N 3.16Å; T41-V43 WeakPolarHBondContact OG1-CG2 3.41Å; T41-V43 PolarHBondContact OG1-N 2.99Å; V43-Y45 HydrophobicContact CB-CE2 3.72Å; V43-Y45 HydrophobicContact CG1-CD2 4.32Å; V43-Y45 HydrophobicContact CG1-CE1 4.19Å; V43-Y45 HydrophobicContact CG1-CE2 3.6Å; V43-Y45 VanDerWaalsContact O-CD2 3.27Å; V43-Y45 WeakPolarHBondContact O-CD2 3.27Å; V43-Y45 WeakPolarHBondContact O-CE2 3.44Å
44Q97.7Very high96.3Very high62 Ų6251.6 Ų51.629%0.2927%0.272SS..EExtended strand (participates in β ladder)trans-84.7139.2178.2-67.1173.2-25.200111.6Q35 C36 I37 Y97Q35-Q44 VanDerWaalsContact NE2-CD 3.34Å; C36-Q44 WeakPolarHBondContact O-CA 3.25Å; I37-Q44 HydrophobicContact CG1-CG 4.24Å; Q44-Y97 HydrophobicContact CB-CD1 3.88Å; Q44-Y97 WeakPolarHBondContact O-CB 3.23Å
45Y98.2Very high96Very high43 Ų4355.6 Ų55.617%0.16929%0.289CS..EExtended strand (participates in β ladder)trans-135.2165.9179.8-65.9-78.4000111.2Y18 Q35 C36 H38 V43 V76 V94 M95Y18-Y45 HydrophobicContact CD1-CD2 4.23Å; Y18-Y45 AromaticContact CE1-CD2 3.63Å; Y18-Y45 HydrophobicContact CE1-CD2 3.63Å; Y18-Y45 AromaticContact CE1-CE2 3.98Å; Y18-Y45 HydrophobicContact CE1-CE2 3.98Å; Y18-Y45 HydrophobicContact CE1-CG 4.3Å; Q35-Y45 WeakPolarHBondContact CA-O 3.43Å; C36-Y45 PolarHBondContact N-O 2.79Å; C36-Y45 PolarHBondContact O-N 3.35Å; H38-Y45 HydrophobicContact CB-CD2 4.19Å; H38-Y45 HydrophobicContact CB-CE2 3.74Å; V43-Y45 HydrophobicContact CB-CE2 3.72Å; V43-Y45 HydrophobicContact CG1-CD2 4.32Å; V43-Y45 HydrophobicContact CG1-CE1 4.19Å; V43-Y45 HydrophobicContact CG1-CE2 3.6Å; V43-Y45 VanDerWaalsContact O-CD2 3.27Å; V43-Y45 WeakPolarHBondContact O-CD2 3.27Å; V43-Y45 WeakPolarHBondContact O-CE2 3.44Å; Y45-V76 HydrophobicContact CD1-CG2 3.93Å; Y45-V76 HydrophobicContact CE1-CB 4.43Å; Y45-V76 HydrophobicContact CE1-CG1 4.25Å; Y45-V76 HydrophobicContact CE1-CG2 3.7Å; Y45-V94 HydrophobicContact CD1-CG1 4.22Å; Y45-V94 HydrophobicContact CG-CG1 3.9Å; Y45-M95 WeakPolarHBondContact CA-O 3.49Å; Y45-M95 WeakPolarHBondContact CB-O 3.36Å; Y45-M95 WeakPolarHBondContact CD1-O 3.44Å
46A97.4Very high95.8Very high9 Ų954.9 Ų54.97%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-103130.2169.900000109.8L25 V33 M34 V94 M95L25-A46 HydrophobicContact CD1-CB 3.74Å; V33-A46 HydrophobicContact CG1-CB 4.05Å; M34-A46 CarbonylContact O-C 3.52Å; A46-V94 CarbonylContact O-C 3.51Å; A46-M95 HydrophobicContact CB-CB 4.5Å; A46-M95 HydrophobicContact CB-CE 4.26Å; A46-M95 PolarHBondContact N-O 3.31Å; A46-M95 PolarHBondContact O-N 3.48Å
47L97.5Very high95.6Very high0 Ų058.7 Ų58.70%030%0.3CS..EExtended strand (participates in β ladder)trans-110.2112.2179.9172.759.9000110I14 I20 V33 M34 C36 I49 L92 I93 V94I14-L47 HydrophobicContact CD1-CD1 3.58Å; I14-L47 HydrophobicContact CD1-CD2 3.81Å; I14-L47 HydrophobicContact CD1-CG 4.35Å; I20-L47 HydrophobicContact CD1-CD2 3.65Å; I20-L47 HydrophobicContact CG1-CD2 3.78Å; I20-L47 HydrophobicContact CG2-CD2 4.1Å; V33-L47 CarbonylContact C-O 3.59Å; V33-L47 VanDerWaalsContact CA-O 3.28Å; V33-L47 WeakPolarHBondContact CA-O 3.46Å; M34-L47 PolarHBondContact N-O 2.88Å; M34-L47 PolarHBondContact O-N 2.8Å; C36-L47 HydrophobicContact CB-CB 4.25Å; L47-I49 HydrophobicContact CD2-CD1 4.34Å; L47-I49 HydrophobicContact CD2-CG1 4.27Å; L47-I49 HydrophobicContact CG-CD1 4.49Å; L47-I49 HydrophobicContact CG-CG1 3.98Å; L47-L92 HydrophobicContact CD1-CB 3.93Å; L47-I93 WeakPolarHBondContact CA-O 3.31Å; L47-V94 HydrophobicContact CD1-CG2 4.27Å
48K96Very high95.3Very high8 Ų861.3 Ų61.34%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-91.2127171-170.2172.4-164.3175.30110.2T30 V33 L50 E59 I93 M95 D162T30-K48 WeakPolarHBondContact OG1-CE 3.38Å; T30-K48 PolarHBondContact OG1-NZ 3.4Å; T30-K48 VanDerWaalsContact OG1-NZ 3.07Å; V33-K48 HydrophobicContact CG2-CB 4.26Å; V33-K48 HydrophobicContact CG2-CG 4.11Å; K48-L50 HydrophobicContact CD-CD2 4.4Å; K48-L50 HydrophobicContact CG-CD2 4.12Å; K48-L50 HydrophobicContact CG-CG 4.25Å; K48-E59 WeakPolarHBondContact CE-OE1 3.4Å; K48-E59 IonicContact NZ-OE1 3.41Å; K48-E59 PolarHBondContact NZ-OE1 2.87Å; K48-I93 HydrophobicContact CB-CB 4.29Å; K48-I93 PolarHBondContact N-O 3.5Å; K48-I93 PolarHBondContact O-N 3.18Å; K48-M95 HydrophobicContact CB-CE 3.74Å; K48-D162 IonicContact NZ-OD1 2.8Å; K48-D162 PolarHBondContact NZ-OD1 2.97Å
49I94.7Very high95.1Very high39 Ų3960.2 Ų60.220%0.230%0.302CS..EExtended strand (participates in β ladder)trans-110.7115.8-175.2-54.4175.2000108.8G31 K32 M34 L47 Y90 L92G31-I49 WeakPolarHBondContact CA-O 3.45Å; K32-I49 PolarHBondContact O-N 2.68Å; M34-I49 HydrophobicContact CE-CD1 3.41Å; M34-I49 VanDerWaalsContact CE-CD1 3.41Å; M34-I49 HydrophobicContact CG-CD1 4.15Å; M34-I49 HydrophobicContact SD-CD1 4.14Å; L47-I49 HydrophobicContact CD2-CD1 4.34Å; L47-I49 HydrophobicContact CD2-CG1 4.27Å; L47-I49 HydrophobicContact CG-CD1 4.49Å; L47-I49 HydrophobicContact CG-CG1 3.98Å; I49-Y90 HydrophobicContact CG2-CD1 3.87Å; I49-Y90 HydrophobicContact CG2-CE1 4.43Å; I49-L92 HydrophobicContact CB-CD2 4.25Å; I49-L92 HydrophobicContact CG1-CD2 4.03Å; I49-L92 HydrophobicContact CG2-CD2 3.84Å
50L93.9Very high95Very high3 Ų356.9 Ų56.92%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-123.4140.2-177.9-56.4177000109.9T30 K48 D52 Y90 L91 I93T30-L50 VanDerWaalsContact C-CD2 3.42Å; T30-L50 WeakPolarHBondContact O-CD2 3.47Å; K48-L50 HydrophobicContact CD-CD2 4.4Å; K48-L50 HydrophobicContact CG-CD2 4.12Å; K48-L50 HydrophobicContact CG-CG 4.25Å; L50-D52 PolarHBondContact O-N 3.41Å; L50-Y90 CarbonylContact O-C 3.54Å; L50-Y90 VanDerWaalsContact O-CA 3.23Å; L50-Y90 WeakPolarHBondContact O-CA 3.45Å; L50-Y90 WeakPolarHBondContact O-CD1 3.44Å; L50-L91 PolarHBondContact N-O 2.93Å; L50-L91 PolarHBondContact O-N 2.91Å; L50-I93 HydrophobicContact CD1-CD1 3.78Å
51E93.8Very high94.9Very high94 Ų9451.8 Ų51.844%0.43926%0.26SS..EExtended strand (participates in β ladder)trans-63.1134164.9-175.9164-164.600108.5N53 S56 K88E51-N53 PolarHBondContact O-N 2.76Å; E51-N53 PolarHBondContact O-ND2 3.25Å; E51-N53 VanDerWaalsContact O-ND2 3.16Å; E51-S56 WeakPolarHBondContact O-CB 3.5Å; E51-S56 PolarHBondContact O-OG 3.11Å; E51-K88 IonicContact OE1-NZ 2.79Å; E51-K88 PolarHBondContact OE1-NZ 2.93Å; E51-K88 IonicContact OE2-NZ 3.4Å; E51-K88 PolarHBondContact OE2-NZ 3.42Å
52D94.5Very high94.8Very high31 Ų3148 Ų4817%0.16624%0.237CC..  trans-74.5113.6-175.6-179.424000110.9L50 R57 N89L50-D52 PolarHBondContact O-N 3.41Å; D52-R57 WeakPolarHBondContact OD1-CG 3.25Å; D52-R57 IonicContact OD1-CZ 3.41Å; D52-R57 IonicContact OD1-NE 2.79Å; D52-R57 PolarHBondContact OD1-NE 2.91Å; D52-R57 IonicContact OD1-NH2 3.76Å; D52-R57 PolarHBondContact OD1-NH2 3.4Å; D52-R57 IonicContact OD2-CZ 3.63Å; D52-R57 IonicContact OD2-NE 3.92Å; D52-R57 PolarHBondContact OD2-NE 3.38Å; D52-R57 IonicContact OD2-NH2 3.69Å; D52-R57 PolarHBondContact OD2-NH2 3.42Å; D52-N89 HydrophobicContact CB-CB 3.83Å; D52-N89 WeakPolarHBondContact CB-O 3.46Å; D52-N89 PolarHBondContact N-O 2.99Å
53N93.1Very high94.7Very high75 Ų7545.8 Ų45.840%0.40121%0.213SC..SBendtrans-155.7176.3177.861.460.4000109.9E51 K55 S56 R57E51-N53 PolarHBondContact O-N 2.76Å; E51-N53 PolarHBondContact O-ND2 3.25Å; E51-N53 VanDerWaalsContact O-ND2 3.16Å; N53-K55 PolarHBondContact O-N 2.94Å; N53-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 WeakPolarHBondContact OD1-CA 3.27Å; N53-K55 VanDerWaalsContact OD1-CB 3.3Å; N53-K55 WeakPolarHBondContact OD1-CB 3.29Å; N53-K55 PolarHBondContact OD1-N 2.73Å; N53-S56 PolarHBondContact N-OG 3.48Å; N53-S56 PolarHBondContact O-N 3.44Å; N53-S56 PolarHBondContact O-OG 3.43Å; N53-S56 VanDerWaalsContact O-OG 3.09Å; N53-S56 PolarHBondContact OD1-N 3.11Å; N53-S56 PolarHBondContact OD1-OG 2.87Å; N53-R57 WeakPolarHBondContact O-CG 3.39Å; N53-R57 PolarHBondContact O-N 2.88Å
54Q91.3Very high94.7Very high154 Ų15444.7 Ų44.772%0.7220%0.202SC*.Hα-helixtrans-60.4-30.2-176.6-164.2-175.328.900113.4R58Q54-R58 WeakPolarHBondContact O-CB 3.5Å; Q54-R58 PolarHBondContact O-N 2.77Å
55K90.4Very high94.5Very high109 Ų10945.3 Ų45.347%0.47420%0.202SC..Hα-helixtrans-74.6-47.4179.2-174.7-177.1174.9-1760110.7N53 R58 E59 G164N53-K55 PolarHBondContact O-N 2.94Å; N53-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 WeakPolarHBondContact OD1-CA 3.27Å; N53-K55 VanDerWaalsContact OD1-CB 3.3Å; N53-K55 WeakPolarHBondContact OD1-CB 3.29Å; N53-K55 PolarHBondContact OD1-N 2.73Å; K55-R58 PolarHBondContact O-N 2.99Å; K55-E59 PolarHBondContact O-N 2.7Å; K55-G164 VanDerWaalsContact CE-O 3.3Å; K55-G164 WeakPolarHBondContact CE-O 3.38Å
56S92.8Very high94.4Very high5 Ų543.3 Ų43.34%0.03519%0.194CC..Hα-helixtrans-67.2-37.1178.7530000112.5E51 N53 R58 E59 A60 L91E51-S56 WeakPolarHBondContact O-CB 3.5Å; E51-S56 PolarHBondContact O-OG 3.11Å; N53-S56 PolarHBondContact N-OG 3.48Å; N53-S56 PolarHBondContact O-N 3.44Å; N53-S56 PolarHBondContact O-OG 3.43Å; N53-S56 VanDerWaalsContact O-OG 3.09Å; N53-S56 PolarHBondContact OD1-N 3.11Å; N53-S56 PolarHBondContact OD1-OG 2.87Å; S56-R58 PolarHBondContact O-N 2.91Å; S56-E59 PolarHBondContact O-N 3.48Å; S56-A60 PolarHBondContact O-N 2.79Å; S56-L91 WeakPolarHBondContact O-CD2 3.19Å
57R94Very high94.3Very high80 Ų8043.3 Ų43.330%0.30219%0.194SC..Hα-helixtrans-62.7-41.7172.5-70.8-168.9-178.6-108.48.6112.7D52 N53 A60 E61 E80 L91D52-R57 WeakPolarHBondContact OD1-CG 3.25Å; D52-R57 IonicContact OD1-CZ 3.41Å; D52-R57 IonicContact OD1-NE 2.79Å; D52-R57 PolarHBondContact OD1-NE 2.91Å; D52-R57 IonicContact OD1-NH2 3.76Å; D52-R57 PolarHBondContact OD1-NH2 3.4Å; D52-R57 IonicContact OD2-CZ 3.63Å; D52-R57 IonicContact OD2-NE 3.92Å; D52-R57 PolarHBondContact OD2-NE 3.38Å; D52-R57 IonicContact OD2-NH2 3.69Å; D52-R57 PolarHBondContact OD2-NH2 3.42Å; N53-R57 WeakPolarHBondContact O-CG 3.39Å; N53-R57 PolarHBondContact O-N 2.88Å; R57-A60 PolarHBondContact O-N 2.67Å; R57-E61 WeakPolarHBondContact O-CB 3.37Å; R57-E61 PolarHBondContact O-N 3.46Å; R57-E80 IonicContact CZ-OE2 3.57Å; R57-E80 IonicContact NH1-OE2 3.37Å; R57-E80 PolarHBondContact NH1-OE2 3.25Å; R57-E80 IonicContact NH2-OE1 3.75Å; R57-E80 PolarHBondContact NH2-OE1 3.16Å; R57-E80 IonicContact NH2-OE2 2.88Å; R57-E80 PolarHBondContact NH2-OE2 3.26Å; R57-L91 HydrophobicContact CG-CD2 4.27Å
58R92.2Very high94.1Very high107 Ų10747.7 Ų47.740%0.40422%0.217SC..Hα-helixtrans-63.7-43.8175.8-176.1-172-53-169.42.7112Q54 K55 S56 E61 I62Q54-R58 WeakPolarHBondContact O-CB 3.5Å; Q54-R58 PolarHBondContact O-N 2.77Å; K55-R58 PolarHBondContact O-N 2.99Å; S56-R58 PolarHBondContact O-N 2.91Å; R58-E61 PolarHBondContact O-N 3.48Å; R58-I62 HydrophobicContact CG-CD1 3.84Å; R58-I62 HydrophobicContact CG-CG1 4.42Å; R58-I62 WeakPolarHBondContact O-CB 3.35Å; R58-I62 VanDerWaalsContact O-CG1 3.31Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 2.9Å
59E94Very high94.1Very high5 Ų547.6 Ų47.62%0.02322%0.217CC..Hα-helixtrans-56.3-52175.2170.9177.2177.300110.7T30 K48 K55 S56 E61 I62 H63 F163 G164T30-E59 PolarHBondContact OG1-OE1 2.63Å; T30-E59 PolarHBondContact OG1-OE2 2.79Å; K48-E59 WeakPolarHBondContact CE-OE1 3.4Å; K48-E59 IonicContact NZ-OE1 3.41Å; K48-E59 PolarHBondContact NZ-OE1 2.87Å; K55-E59 PolarHBondContact O-N 2.7Å; S56-E59 PolarHBondContact O-N 3.48Å; E59-E61 PolarHBondContact O-N 2.75Å; E59-I62 PolarHBondContact O-N 2.99Å; E59-H63 WeakPolarHBondContact O-CB 3.38Å; E59-H63 PolarHBondContact O-N 3.01Å; E59-F163 HydrophobicContact CG-CB 4.14Å; E59-G164 VanDerWaalsContact CD-CA 3.4Å; E59-G164 VanDerWaalsContact OE2-CA 3.31Å; E59-G164 WeakPolarHBondContact OE2-CA 3.35Å
60A95Very high94.2Very high0 Ų050 Ų500%024%0.235CC..Hα-helixtrans-61.9-43.6179.200000112.7F7 S56 R57 H63 W64 L91 I93F7-A60 HydrophobicContact CE2-CB 3.86Å; F7-A60 HydrophobicContact CZ-CB 3.72Å; S56-A60 PolarHBondContact O-N 2.79Å; R57-A60 PolarHBondContact O-N 2.67Å; A60-H63 PolarHBondContact O-N 2.7Å; A60-W64 WeakPolarHBondContact O-CB 3.45Å; A60-W64 PolarHBondContact O-N 3.39Å; A60-L91 HydrophobicContact CB-CD2 3.52Å; A60-I93 HydrophobicContact CB-CD1 3.77Å; A60-I93 HydrophobicContact CB-CG1 4.26Å
61E94.9Very high94.5Very high69 Ų6951.3 Ų51.332%0.32224%0.241SC..Hα-helixtrans-65.4-43.2179.2-171.2-164157.800111.9F7 R57 R58 E59 R65F7-E61 HydrophobicContact CD1-CB 4.18Å; F7-E61 HydrophobicContact CD1-CG 4.19Å; F7-E61 HydrophobicContact CE1-CB 4.23Å; F7-E61 HydrophobicContact CG-CB 4.49Å; F7-E61 HydrophobicContact CG-CG 4.41Å; R57-E61 WeakPolarHBondContact O-CB 3.37Å; R57-E61 PolarHBondContact O-N 3.46Å; R58-E61 PolarHBondContact O-N 3.48Å; E59-E61 PolarHBondContact O-N 2.75Å; E61-R65 VanDerWaalsContact O-CG 3.28Å; E61-R65 WeakPolarHBondContact O-CG 3.27Å; E61-R65 PolarHBondContact O-N 2.88Å; E61-R65 VanDerWaalsContact O-N 3.14Å; E61-R65 PolarHBondContact O-NE 3.28Å; E61-R65 VanDerWaalsContact O-NE 3.13Å; E61-R65 IonicContact OE1-CZ 3.34Å; E61-R65 IonicContact OE1-NE 2.94Å; E61-R65 IonicContact OE1-NH1 2.99Å
62I94.7Very high94.7Very high1 Ų146.9 Ų46.91%0.00522%0.221CC..Hα-helixtrans-60.5-53.3174.7-73.5171.8000109.4R58 E59 W64 R65 V66 I137 F163 A166R58-I62 HydrophobicContact CG-CD1 3.84Å; R58-I62 HydrophobicContact CG-CG1 4.42Å; R58-I62 WeakPolarHBondContact O-CB 3.35Å; R58-I62 VanDerWaalsContact O-CG1 3.31Å; R58-I62 WeakPolarHBondContact O-CG1 3.49Å; R58-I62 PolarHBondContact O-N 2.9Å; E59-I62 PolarHBondContact O-N 2.99Å; I62-W64 VanDerWaalsContact C-N 3.35Å; I62-W64 PolarHBondContact O-N 2.93Å; I62-R65 VanDerWaalsContact CG1-NH2 3.3Å; I62-R65 PolarHBondContact O-N 2.84Å; I62-V66 WeakPolarHBondContact O-CG2 3.44Å; I62-V66 PolarHBondContact O-N 3.39Å; I62-I137 HydrophobicContact CG2-CD1 4.2Å; I62-I137 HydrophobicContact CG2-CG2 3.85Å; I62-F163 HydrophobicContact CG2-CD1 3.81Å; I62-F163 HydrophobicContact CG2-CE1 4.49Å; I62-A166 HydrophobicContact CD1-CB 4.37Å; I62-A166 HydrophobicContact CG2-CB 3.98Å
63H96.1Very high94.8Very high3 Ų345.5 Ų45.51%0.01421%0.213CC..Hα-helixtrans-61-43.2-176.2-163.8178.1000111.7E59 A60 R65 V66 S67 V73 V75 F163E59-H63 WeakPolarHBondContact O-CB 3.38Å; E59-H63 PolarHBondContact O-N 3.01Å; A60-H63 PolarHBondContact O-N 2.7Å; H63-R65 PolarHBondContact O-N 3Å; H63-V66 WeakPolarHBondContact O-CG2 3.23Å; H63-V66 PolarHBondContact O-N 3.31Å; H63-S67 PolarHBondContact O-N 3.24Å; H63-S67 PolarHBondContact O-OG 2.8Å; H63-V73 PolarHBondContact CD2-O 3.17Å; H63-V73 PolarHBondContact NE2-O 3Å; H63-V75 HydrophobicContact CB-CG2 4.04Å; H63-V75 VanDerWaalsContact CG-CG2 3.48Å; H63-F163 HydrophobicContact CB-CB 4.12Å; H63-F163 HydrophobicContact CB-CD2 3.95Å; H63-F163 HydrophobicContact CB-CG 3.98Å; H63-F163 AromaticContact CD2-CD2 3.48Å; H63-F163 VanDerWaalsContact CD2-CD2 3.48Å; H63-F163 WeakPolarHBondContact CD2-CD2 3.35Å; H63-F163 AromaticContact CD2-CE2 3.45Å; H63-F163 VanDerWaalsContact CD2-CE2 3.45Å; H63-F163 WeakPolarHBondContact CD2-CE2 3.45Å; H63-F163 AromaticContact CE1-CD2 3.83Å; H63-F163 AromaticContact CG-CD2 3.42Å; H63-F163 VanDerWaalsContact CG-CD2 3.42Å; H63-F163 AromaticContact CG-CE2 3.91Å; H63-F163 AromaticContact CG-CG 3.97Å; H63-F163 AromaticContact ND1-CD2 3.64Å; H63-F163 AromaticContact NE2-CD2 3.74Å; H63-F163 AromaticContact NE2-CE2 3.6Å
64W96.1Very high95Very high42 Ų4247.3 Ų47.316%0.15922%0.218CC..Hα-helixtrans-56.6-48.9174.7-178.1-95.2000112.3R5 F7 A60 I62 V66 S67 V75 V78R5-W64 HydrophobicContact CB-CZ2 3.8Å; R5-W64 PolarHBondContact O-NE1 3.3Å; F7-W64 HydrophobicContact CB-CG 4.22Å; F7-W64 HydrophobicContact CD2-CB 3.73Å; F7-W64 HydrophobicContact CD2-CD2 4.13Å; F7-W64 AromaticContact CD2-CG 3.7Å; F7-W64 HydrophobicContact CD2-CG 3.7Å; F7-W64 HydrophobicContact CE2-CB 4.34Å; F7-W64 HydrophobicContact CG-CG 4.43Å; A60-W64 WeakPolarHBondContact O-CB 3.45Å; A60-W64 PolarHBondContact O-N 3.39Å; I62-W64 VanDerWaalsContact C-N 3.35Å; I62-W64 PolarHBondContact O-N 2.93Å; W64-V66 PolarHBondContact O-N 3.33Å; W64-S67 WeakPolarHBondContact O-CB 3.33Å; W64-S67 PolarHBondContact O-N 3.39Å; W64-V75 HydrophobicContact CE3-CB 3.99Å; W64-V75 HydrophobicContact CE3-CG1 3.6Å; W64-V75 HydrophobicContact CZ3-CG1 3.98Å; W64-V78 HydrophobicContact CE3-CG2 4.24Å
65R94.4Very high95.3Very high75 Ų7540.3 Ų40.328%0.28319%0.186SC..Hα-helixtrans-63.7-27.7-179.2-73.1179.2-61.2169.15.6113.3E61 I62 H63 E168E61-R65 VanDerWaalsContact O-CG 3.28Å; E61-R65 WeakPolarHBondContact O-CG 3.27Å; E61-R65 PolarHBondContact O-N 2.88Å; E61-R65 VanDerWaalsContact O-N 3.14Å; E61-R65 PolarHBondContact O-NE 3.28Å; E61-R65 VanDerWaalsContact O-NE 3.13Å; E61-R65 IonicContact OE1-CZ 3.34Å; E61-R65 IonicContact OE1-NE 2.94Å; E61-R65 IonicContact OE1-NH1 2.99Å; I62-R65 VanDerWaalsContact CG1-NH2 3.3Å; I62-R65 PolarHBondContact O-N 2.84Å; H63-R65 PolarHBondContact O-N 3Å; R65-E168 IonicContact CZ-OE1 2.81Å; R65-E168 IonicContact NH1-OE1 2.7Å; R65-E168 PolarHBondContact NH1-OE1 2.85Å; R65-E168 IonicContact NH2-OE1 3.43Å; R65-E168 PolarHBondContact NH2-OE1 2.94Å
66V95.6Very high95.6Very high0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-100.8-3.2-177.6-55.10000114.5I62 H63 W64 N68 C69 I72 Y131 L132 I137 F163I62-V66 WeakPolarHBondContact O-CG2 3.44Å; I62-V66 PolarHBondContact O-N 3.39Å; H63-V66 WeakPolarHBondContact O-CG2 3.23Å; H63-V66 PolarHBondContact O-N 3.31Å; W64-V66 PolarHBondContact O-N 3.33Å; V66-N68 PolarHBondContact O-N 2.99Å; V66-C69 WeakPolarHBondContact O-CB 3.44Å; V66-C69 PolarHBondContact O-N 3.29Å; V66-I72 HydrophobicContact CB-CD1 3.96Å; V66-I72 HydrophobicContact CG2-CD1 3.92Å; V66-I72 HydrophobicContact CG2-CG2 4.16Å; V66-Y131 HydrophobicContact CB-CD1 4.25Å; V66-Y131 HydrophobicContact CB-CE1 3.87Å; V66-Y131 HydrophobicContact CG1-CE1 4.22Å; V66-L132 HydrophobicContact CB-CD2 3.84Å; V66-L132 HydrophobicContact CG1-CD2 3.66Å; V66-L132 HydrophobicContact CG2-CD2 3.86Å; V66-I137 HydrophobicContact CG1-CD1 3.55Å; V66-F163 HydrophobicContact CG2-CD1 4.42Å; V66-F163 HydrophobicContact CG2-CE1 3.7Å; V66-F163 HydrophobicContact CG2-CZ 3.81Å
67S95.6Very high95.8Very high10 Ų1037.6 Ų37.67%0.0718%0.177CC..THydrogen-bonded Turntrans-62.2-11.7-176.4-74.10000115.3H63 W64 C69 V75H63-S67 PolarHBondContact O-N 3.24Å; H63-S67 PolarHBondContact O-OG 2.8Å; W64-S67 WeakPolarHBondContact O-CB 3.33Å; W64-S67 PolarHBondContact O-N 3.39Å; S67-C69 VanDerWaalsContact C-N 3.29Å; S67-V75 WeakPolarHBondContact OG-CB 3.4Å; S67-V75 WeakPolarHBondContact OG-CG2 3.43Å; S67-V75 PolarHBondContact OG-N 2.83Å
68N93.3Very high96Very high91 Ų9134.1 Ų34.149%0.48716%0.164SC..THydrogen-bonded Turntrans-79.4-9175.1-71.3-14.5000113.4V66V66-N68 PolarHBondContact O-N 2.99Å
69C96.4Very high96.2Very high6 Ų629 Ų294%0.04115%0.145CC..SBendtrans-73129.6175.7-177.40000110.5V66 S67 H71 I72 Y131V66-C69 WeakPolarHBondContact O-CB 3.44Å; V66-C69 PolarHBondContact O-N 3.29Å; S67-C69 VanDerWaalsContact C-N 3.29Å; C69-H71 PolarHBondContact O-N 3.34Å; C69-H71 VanDerWaalsContact O-N 3.11Å; C69-I72 HydrophobicContact CB-CB 3.96Å; C69-I72 HydrophobicContact CB-CD1 3.64Å; C69-I72 HydrophobicContact CB-CG1 3.78Å; C69-I72 PolarHBondContact O-N 3.23Å; C69-I72 VanDerWaalsContact O-N 3.12Å; C69-Y131 HydrophobicContact CB-CD1 3.59Å; C69-Y131 HydrophobicContact CB-CD2 3.9Å; C69-Y131 HydrophobicContact CB-CE1 3.82Å; C69-Y131 HydrophobicContact CB-CE2 4.09Å; C69-Y131 HydrophobicContact CB-CG 3.63Å
70P97.3Very high96.4Very high89 Ų8931.5 Ų31.558%0.57816%0.157SC*.THydrogen-bonded Turntrans-59.6-23.6178.3-25.835000114.7K159P70-K159 WeakPolarHBondContact O-CE 3.43Å
71H98.3Very high96.4Very high32 Ų3232.7 Ų32.715%0.14816%0.163CC..THydrogen-bonded Turntrans-105.118.9-178.7-59.9-61.3000112.9C69 Q124 A128 L158 K159 L160C69-H71 PolarHBondContact O-N 3.34Å; C69-H71 VanDerWaalsContact O-N 3.11Å; H71-Q124 WeakPolarHBondContact CB-O 3.41Å; H71-Q124 VanDerWaalsContact CE1-CG 3.44Å; H71-Q124 WeakPolarHBondContact CE1-CG 3.35Å; H71-Q124 PolarHBondContact CE1-OE1 3.13Å; H71-Q124 PolarHBondContact ND1-OE1 3.45Å; H71-A128 HydrophobicContact CB-CB 3.81Å; H71-A128 WeakPolarHBondContact O-CB 3.47Å; H71-L158 PolarHBondContact ND1-O 2.87Å; H71-L158 VanDerWaalsContact ND1-O 3.15Å; H71-K159 CarbonylContact O-C 3.55Å; H71-K159 WeakPolarHBondContact O-CA 3.33Å; H71-L160 PolarHBondContact O-N 2.88Å
72I98.1Very high96.4Very high1 Ų133.3 Ų33.31%0.00517%0.172CC..BIsolated β-bridgetrans-122.8137.9171.5-64.5175.6000108.2V66 C69 K74 A128 Y131 L132 F163V66-I72 HydrophobicContact CB-CD1 3.96Å; V66-I72 HydrophobicContact CG2-CD1 3.92Å; V66-I72 HydrophobicContact CG2-CG2 4.16Å; C69-I72 HydrophobicContact CB-CB 3.96Å; C69-I72 HydrophobicContact CB-CD1 3.64Å; C69-I72 HydrophobicContact CB-CG1 3.78Å; C69-I72 PolarHBondContact O-N 3.23Å; C69-I72 VanDerWaalsContact O-N 3.12Å; I72-K74 PolarHBondContact O-N 3.47Å; I72-A128 HydrophobicContact CG1-CB 4.15Å; I72-Y131 HydrophobicContact CD1-CD1 4.08Å; I72-L132 HydrophobicContact CD1-CD2 3.63Å; I72-L132 HydrophobicContact CD1-CG 4Å; I72-F163 HydrophobicContact CD1-CZ 4.19Å; I72-F163 HydrophobicContact CG1-CZ 4.4Å; I72-F163 HydrophobicContact CG2-CE2 3.66Å; I72-F163 HydrophobicContact CG2-CZ 3.53Å
73V97.6Very high96.2Very high2 Ų236.1 Ų36.11%0.01219%0.187CC..PPolyproline II helixtrans-56.9126.2175.5171.70000109.5H63 M95 E96 M98 K159 L160H63-V73 PolarHBondContact CD2-O 3.17Å; H63-V73 PolarHBondContact NE2-O 3Å; V73-M95 HydrophobicContact CG1-CB 3.89Å; V73-M95 HydrophobicContact CG1-CG 4.43Å; V73-M95 HydrophobicContact CG1-SD 4.33Å; V73-E96 WeakPolarHBondContact CA-OE1 3.36Å; V73-E96 HydrophobicContact CG1-CG 3.85Å; V73-M98 HydrophobicContact CG2-CE 4.29Å; V73-M98 HydrophobicContact CG2-CG 3.9Å; V73-M98 HydrophobicContact CG2-SD 3.86Å; V73-K159 HydrophobicContact CG2-CB 3.94Å; V73-L160 PolarHBondContact N-O 3.37Å
74K97.4Very high95.8Very high112 Ų11243.5 Ų43.549%0.48722%0.221SC..PPolyproline II helixtrans-76126.8-178.2-178.1175.9179.6-178.90110.7I72 M95 E96I72-K74 PolarHBondContact O-N 3.47Å; K74-M95 CarbonylContact O-C 3.59Å; K74-M95 VanDerWaalsContact O-CA 3.27Å; K74-M95 WeakPolarHBondContact O-CA 3.4Å; K74-E96 HydrophobicContact CB-CG 4.23Å; K74-E96 VanDerWaalsContact CB-OE1 3.3Å; K74-E96 WeakPolarHBondContact CB-OE1 3.49Å; K74-E96 PolarHBondContact N-OE1 3.36Å; K74-E96 PolarHBondContact O-N 3.22Å
75V97.4Very high95.4Very high8 Ų848.8 Ų48.85%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-79.7129.3162.9-175.10000108.8H63 W64 S67 V78 I93 M95H63-V75 HydrophobicContact CB-CG2 4.04Å; H63-V75 VanDerWaalsContact CG-CG2 3.48Å; W64-V75 HydrophobicContact CE3-CB 3.99Å; W64-V75 HydrophobicContact CE3-CG1 3.6Å; W64-V75 HydrophobicContact CZ3-CG1 3.98Å; S67-V75 WeakPolarHBondContact OG-CB 3.4Å; S67-V75 WeakPolarHBondContact OG-CG2 3.43Å; S67-V75 PolarHBondContact OG-N 2.83Å; V75-V78 HydrophobicContact CG1-CG2 3.69Å; V75-I93 HydrophobicContact CB-CG2 4.5Å; V75-I93 HydrophobicContact CG1-CG2 3.68Å; V75-I93 HydrophobicContact CG2-CG2 4.01Å; V75-M95 HydrophobicContact CG2-CG 4.42Å
76V96.5Very high95.2Very high33 Ų3348.6 Ų48.620%0.226%0.26CS..EExtended strand (participates in β ladder)trans-97.4-52.5-177.9179.70000109.8Y45 V94Y45-V76 HydrophobicContact CD1-CG2 3.93Å; Y45-V76 HydrophobicContact CE1-CB 4.43Å; Y45-V76 HydrophobicContact CE1-CG1 4.25Å; Y45-V76 HydrophobicContact CE1-CG2 3.7Å; V76-V94 HydrophobicContact CB-CG1 4.24Å; V76-V94 PolarHBondContact N-O 3.44Å
77D97.1Very high95Very high24 Ų2456.2 Ų56.213%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-143.3157.6-179.8-76.5-57.3000110.5K10 Y18 F79 V94K10-D77 WeakPolarHBondContact CE-OD1 3.29Å; K10-D77 VanDerWaalsContact NZ-CG 3.27Å; K10-D77 IonicContact NZ-OD1 3.22Å; K10-D77 PolarHBondContact NZ-OD1 3.1Å; K10-D77 IonicContact NZ-OD2 2.66Å; K10-D77 PolarHBondContact NZ-OD2 2.64Å; Y18-D77 PolarHBondContact OH-OD2 2.72Å; D77-F79 HydrophobicContact CB-CD2 4.29Å; D77-F79 HydrophobicContact CB-CE2 3.64Å; D77-F79 HydrophobicContact CB-CZ 4.35Å; D77-V94 HydrophobicContact CB-CB 4.08Å; D77-V94 HydrophobicContact CB-CG2 4.2Å; D77-V94 PolarHBondContact N-O 3.41Å; D77-V94 PolarHBondContact O-N 3.03Å
78V97.4Very high94.9Very high6 Ų660 Ų604%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-133129.5170.1-176.10000108F7 P9 K10 W64 V75 L91 L92 I93F7-V78 HydrophobicContact CE2-CB 4.26Å; F7-V78 HydrophobicContact CE2-CG1 4.2Å; F7-V78 HydrophobicContact CE2-CG2 4.01Å; F7-V78 HydrophobicContact CZ-CG1 4.36Å; P9-V78 CarbonylContact C-O 3.52Å; P9-V78 VanDerWaalsContact CA-O 3.27Å; P9-V78 WeakPolarHBondContact CA-O 3.28Å; P9-V78 HydrophobicContact CB-CG1 4.15Å; P9-V78 HydrophobicContact CG-CG1 4.19Å; K10-V78 PolarHBondContact N-O 2.69Å; W64-V78 HydrophobicContact CE3-CG2 4.24Å; V75-V78 HydrophobicContact CG1-CG2 3.69Å; V78-L91 HydrophobicContact CG1-CD1 3.63Å; V78-L91 HydrophobicContact CG1-CG 3.93Å; V78-L92 CarbonylContact C-O 3.41Å; V78-L92 VanDerWaalsContact CA-O 3.29Å; V78-L92 WeakPolarHBondContact CA-O 3.42Å; V78-I93 HydrophobicContact CG1-CG1 4.45Å; V78-I93 HydrophobicContact CG2-CG2 4.27Å
79F97.8Very high95Very high0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-115.7147176.2-59.8-104.6000110.9K10 S12 I14 E17 Y18 D77 L91 L92 V94K10-F79 HydrophobicContact CB-CD1 3.48Å; K10-F79 VanDerWaalsContact CB-CD1 3.48Å; K10-F79 HydrophobicContact CB-CE1 3.75Å; K10-F79 HydrophobicContact CB-CG 4.1Å; K10-F79 HydrophobicContact CD-CD1 4.06Å; K10-F79 HydrophobicContact CD-CE1 3.46Å; K10-F79 VanDerWaalsContact CD-CE1 3.46Å; K10-F79 HydrophobicContact CD-CE2 4.26Å; K10-F79 HydrophobicContact CD-CZ 3.57Å; K10-F79 HydrophobicContact CG-CD1 4.41Å; K10-F79 HydrophobicContact CG-CE1 4.26Å; K10-F79 CarbonylContact O-C 3.21Å; K10-F79 VanDerWaalsContact O-CA 3.25Å; K10-F79 WeakPolarHBondContact O-CA 3.34Å; S12-F79 WeakPolarHBondContact O-CD1 3.47Å; I14-F79 HydrophobicContact CB-CB 4.5Å; I14-F79 HydrophobicContact CB-CD1 4.31Å; I14-F79 HydrophobicContact CB-CD2 4.31Å; I14-F79 HydrophobicContact CB-CG 4.14Å; I14-F79 HydrophobicContact CD1-CD2 4.04Å; I14-F79 HydrophobicContact CD1-CE2 4.39Å; I14-F79 HydrophobicContact CG1-CD2 3.98Å; I14-F79 HydrophobicContact CG1-CE2 4.06Å; I14-F79 HydrophobicContact CG1-CG 4.32Å; I14-F79 HydrophobicContact CG1-CZ 4.47Å; E17-F79 HydrophobicContact CB-CZ 4.31Å; E17-F79 WeakPolarHBondContact OE1-CE1 3.04Å; Y18-F79 HydrophobicContact CD2-CE2 4.01Å; Y18-F79 HydrophobicContact CD2-CZ 4.02Å; Y18-F79 AromaticContact CE2-CE2 3.79Å; Y18-F79 HydrophobicContact CE2-CE2 3.79Å; Y18-F79 AromaticContact CE2-CZ 3.83Å; Y18-F79 HydrophobicContact CE2-CZ 3.83Å; D77-F79 HydrophobicContact CB-CD2 4.29Å; D77-F79 HydrophobicContact CB-CE2 3.64Å; D77-F79 HydrophobicContact CB-CZ 4.35Å; F79-L91 WeakPolarHBondContact O-CA 3.14Å; F79-L92 HydrophobicContact CB-CB 4.05Å; F79-L92 HydrophobicContact CB-CD1 4.33Å; F79-L92 PolarHBondContact N-O 3.45Å; F79-L92 PolarHBondContact O-N 3.09Å; F79-V94 HydrophobicContact CD2-CG2 4.23Å; F79-V94 HydrophobicContact CE2-CG2 3.98Å
80E96.7Very high95Very high58 Ų5861.2 Ų61.227%0.27131%0.31SS..EExtended strand (participates in β ladder)trans-112.2108.8169.3-179173.8161.200107.9P9 K10 R57P9-E80 HydrophobicContact CB-CB 4.15Å; K10-E80 PolarHBondContact O-N 2.97Å; R57-E80 IonicContact CZ-OE2 3.57Å; R57-E80 IonicContact NH1-OE2 3.37Å; R57-E80 PolarHBondContact NH1-OE2 3.25Å; R57-E80 IonicContact NH2-OE1 3.75Å; R57-E80 PolarHBondContact NH2-OE1 3.16Å; R57-E80 IonicContact NH2-OE2 2.88Å; R57-E80 PolarHBondContact NH2-OE2 3.26Å
81N96Very high94.9Very high24 Ų2457 Ų5713%0.12828%0.283CS..EExtended strand (participates in β ladder)trans-131.5143.4-174.8-77.1-175.2000110.9S12 T13 I14 Y90 L92S12-N81 PolarHBondContact O-ND2 2.7Å; T13-N81 WeakPolarHBondContact CA-OD1 3.45Å; I14-N81 PolarHBondContact N-OD1 3.4Å; N81-Y90 PolarHBondContact N-O 3.12Å; N81-Y90 PolarHBondContact O-N 3.11Å; N81-L92 HydrophobicContact CB-CD1 3.94Å
82T94.9Very high94.8Very high82 Ų8256 Ų5650%0.50328%0.279SS..EExtended strand (participates in β ladder)trans-96.9128.4174.4-51.20000110.2Q84 K88 N89T82-Q84 PolarHBondContact O-N 2.99Å; T82-K88 WeakPolarHBondContact CA-O 3.48Å; T82-N89 WeakPolarHBondContact CB-OD1 3.41Å; T82-N89 WeakPolarHBondContact CG2-OD1 3.48Å; T82-N89 PolarHBondContact OG1-OD1 3.42Å
83N90.1Very high94.8Very high61 Ų6156 Ų5633%0.32628%0.279SS..  trans-72.5120.2170.6-177.8-53.4000109.3N85 T86 K87 K88 Y90N83-N85 VanDerWaalsContact C-N 3.29Å; N83-N85 PolarHBondContact O-N 3.22Å; N83-N85 WeakPolarHBondContact OD1-CB 3.29Å; N83-N85 PolarHBondContact OD1-N 3.42Å; N83-T86 WeakPolarHBondContact CB-OG1 3.08Å; N83-T86 PolarHBondContact OD1-N 2.85Å; N83-T86 PolarHBondContact OD1-OG1 3.45Å; N83-K87 VanDerWaalsContact O-CA 3.23Å; N83-K87 WeakPolarHBondContact O-CA 3.15Å; N83-K87 PolarHBondContact O-N 3.42Å; N83-K88 PolarHBondContact N-O 3.49Å; N83-Y90 HydrophobicContact CB-CD2 3.93Å; N83-Y90 HydrophobicContact CB-CE2 3.58Å
84Q87.2Confident94.8Very high158 Ų15856 Ų5674%0.73828%0.279SS*.THydrogen-bonded Turntrans-66.3-30-173.9-64.8-175.60.900113.6T82 K87T82-Q84 PolarHBondContact O-N 2.99Å; Q84-K87 WeakPolarHBondContact O-CE 3.3Å; Q84-K87 PolarHBondContact O-NZ 3.45Å; Q84-K87 VanDerWaalsContact O-NZ 3.12Å
85N88.9Confident94.8Very high152 Ų15251 Ų5181%0.81326%0.257SS*.THydrogen-bonded Turntrans-79.8-44.5-177.9-63-19.7000111.5N83N83-N85 VanDerWaalsContact C-N 3.29Å; N83-N85 PolarHBondContact O-N 3.22Å; N83-N85 WeakPolarHBondContact OD1-CB 3.29Å; N83-N85 PolarHBondContact OD1-N 3.42Å
86T90.2Very high94.8Very high71 Ų7152.3 Ų52.344%0.43626%0.263SS..THydrogen-bonded Turntrans-92.8-11.6-177.265.50000113.6N83 K88N83-T86 WeakPolarHBondContact CB-OG1 3.08Å; N83-T86 PolarHBondContact OD1-N 2.85Å; N83-T86 PolarHBondContact OD1-OG1 3.45Å; T86-K88 PolarHBondContact O-N 2.94Å; T86-K88 VanDerWaalsContact O-N 3.11Å; T86-K88 PolarHBondContact OG1-N 3.48Å
87K91.2Very high94.8Very high160 Ų16053.6 Ų53.670%0.69627%0.265SS*.  trans56.616.8-171.6-55.3-60.1-175.4-165.50114.2N83 Q84N83-K87 VanDerWaalsContact O-CA 3.23Å; N83-K87 WeakPolarHBondContact O-CA 3.15Å; N83-K87 PolarHBondContact O-N 3.42Å; Q84-K87 WeakPolarHBondContact O-CE 3.3Å; Q84-K87 PolarHBondContact O-NZ 3.45Å; Q84-K87 VanDerWaalsContact O-NZ 3.12Å
88K93.6Very high94.8Very high89 Ų8953.4 Ų53.439%0.38726%0.263SS..  trans-89.1142177.6-68.8-174.7166.3-1390111.1E51 T82 N83 T86 Y90E51-K88 IonicContact OE1-NZ 2.79Å; E51-K88 PolarHBondContact OE1-NZ 2.93Å; E51-K88 IonicContact OE2-NZ 3.4Å; E51-K88 PolarHBondContact OE2-NZ 3.42Å; T82-K88 WeakPolarHBondContact CA-O 3.48Å; N83-K88 PolarHBondContact N-O 3.49Å; T86-K88 PolarHBondContact O-N 2.94Å; T86-K88 VanDerWaalsContact O-N 3.11Å; T86-K88 PolarHBondContact OG1-N 3.48Å; K88-Y90 HydrophobicContact CB-CD2 4.44Å; K88-Y90 HydrophobicContact CB-CE2 3.7Å; K88-Y90 WeakPolarHBondContact O-CD2 3.32Å
89N95.2Very high94.7Very high67 Ų6759.8 Ų59.836%0.35829%0.286SS..EExtended strand (participates in β ladder)trans-84.7138.3172.4-66.3-19.4000110D52 T82D52-N89 HydrophobicContact CB-CB 3.83Å; D52-N89 WeakPolarHBondContact CB-O 3.46Å; D52-N89 PolarHBondContact N-O 2.99Å; T82-N89 WeakPolarHBondContact CB-OD1 3.41Å; T82-N89 WeakPolarHBondContact CG2-OD1 3.48Å; T82-N89 PolarHBondContact OG1-OD1 3.42Å
90Y95.4Very high94.5Very high56 Ų5660.1 Ų60.122%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-126.2140.3179-69.7-88.4000110.3I49 L50 N81 N83 K88I49-Y90 HydrophobicContact CG2-CD1 3.87Å; I49-Y90 HydrophobicContact CG2-CE1 4.43Å; L50-Y90 CarbonylContact O-C 3.54Å; L50-Y90 VanDerWaalsContact O-CA 3.23Å; L50-Y90 WeakPolarHBondContact O-CA 3.45Å; L50-Y90 WeakPolarHBondContact O-CD1 3.44Å; N81-Y90 PolarHBondContact N-O 3.12Å; N81-Y90 PolarHBondContact O-N 3.11Å; N83-Y90 HydrophobicContact CB-CD2 3.93Å; N83-Y90 HydrophobicContact CB-CE2 3.58Å; K88-Y90 HydrophobicContact CB-CD2 4.44Å; K88-Y90 HydrophobicContact CB-CE2 3.7Å; K88-Y90 WeakPolarHBondContact O-CD2 3.32Å
91L96Very high94.3Very high0 Ų058.9 Ų58.90%029%0.293CS..EExtended strand (participates in β ladder)trans-97.8122.8167.2-16470.2000108.2P9 L50 S56 R57 A60 V78 F79P9-L91 HydrophobicContact CB-CD1 4.38Å; P9-L91 HydrophobicContact CG-CD1 4.26Å; L50-L91 PolarHBondContact N-O 2.93Å; L50-L91 PolarHBondContact O-N 2.91Å; S56-L91 WeakPolarHBondContact O-CD2 3.19Å; R57-L91 HydrophobicContact CG-CD2 4.27Å; A60-L91 HydrophobicContact CB-CD2 3.52Å; V78-L91 HydrophobicContact CG1-CD1 3.63Å; V78-L91 HydrophobicContact CG1-CG 3.93Å; F79-L91 WeakPolarHBondContact O-CA 3.14Å
92L96.6Very high94.2Very high13 Ų1359.7 Ų59.77%0.06830%0.296CS..EExtended strand (participates in β ladder)trans-115.6109.2-171.5-60.1-177.7000108.7I14 L47 I49 V78 F79 N81I14-L92 HydrophobicContact CB-CD1 3.84Å; I14-L92 HydrophobicContact CD1-CB 4.09Å; I14-L92 HydrophobicContact CD1-CD1 3.89Å; I14-L92 HydrophobicContact CG1-CD1 4.48Å; I14-L92 HydrophobicContact CG2-CD1 3.62Å; L47-L92 HydrophobicContact CD1-CB 3.93Å; I49-L92 HydrophobicContact CB-CD2 4.25Å; I49-L92 HydrophobicContact CG1-CD2 4.03Å; I49-L92 HydrophobicContact CG2-CD2 3.84Å; V78-L92 CarbonylContact C-O 3.41Å; V78-L92 VanDerWaalsContact CA-O 3.29Å; V78-L92 WeakPolarHBondContact CA-O 3.42Å; F79-L92 HydrophobicContact CB-CB 4.05Å; F79-L92 HydrophobicContact CB-CD1 4.33Å; F79-L92 PolarHBondContact N-O 3.45Å; F79-L92 PolarHBondContact O-N 3.09Å; N81-L92 HydrophobicContact CB-CD1 3.94Å
93I96.9Very high94.1Very high1 Ų155.8 Ų55.81%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-104111.4-174.4-50.1173.8000108.6L47 K48 L50 A60 V75 V78 M95L47-I93 WeakPolarHBondContact CA-O 3.31Å; K48-I93 HydrophobicContact CB-CB 4.29Å; K48-I93 PolarHBondContact N-O 3.5Å; K48-I93 PolarHBondContact O-N 3.18Å; L50-I93 HydrophobicContact CD1-CD1 3.78Å; A60-I93 HydrophobicContact CB-CD1 3.77Å; A60-I93 HydrophobicContact CB-CG1 4.26Å; V75-I93 HydrophobicContact CB-CG2 4.5Å; V75-I93 HydrophobicContact CG1-CG2 3.68Å; V75-I93 HydrophobicContact CG2-CG2 4.01Å; V78-I93 HydrophobicContact CG1-CG1 4.45Å; V78-I93 HydrophobicContact CG2-CG2 4.27Å; I93-M95 HydrophobicContact CG2-CG 3.85Å; I93-M95 HydrophobicContact CG2-SD 4.3Å
94V97.8Very high94Very high0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-87.2125.3174.1-175.50000108.6I14 Y18 Y45 A46 L47 V76 D77 F79I14-V94 HydrophobicContact CD1-CG2 4.15Å; Y18-V94 HydrophobicContact CD1-CG1 4.43Å; Y18-V94 HydrophobicContact CD2-CG2 4.45Å; Y18-V94 HydrophobicContact CE1-CG1 3.78Å; Y18-V94 HydrophobicContact CE2-CG2 4.23Å; Y45-V94 HydrophobicContact CD1-CG1 4.22Å; Y45-V94 HydrophobicContact CG-CG1 3.9Å; A46-V94 CarbonylContact O-C 3.51Å; L47-V94 HydrophobicContact CD1-CG2 4.27Å; V76-V94 HydrophobicContact CB-CG1 4.24Å; V76-V94 PolarHBondContact N-O 3.44Å; D77-V94 HydrophobicContact CB-CB 4.08Å; D77-V94 HydrophobicContact CB-CG2 4.2Å; D77-V94 PolarHBondContact N-O 3.41Å; D77-V94 PolarHBondContact O-N 3.03Å; F79-V94 HydrophobicContact CD2-CG2 4.23Å; F79-V94 HydrophobicContact CE2-CG2 3.98Å
95M97.6Very high94Very high7 Ų748.7 Ų48.73%0.03424%0.239CC..EExtended strand (participates in β ladder)trans-129.6157.7-174.6-58.1174.7-63.700110.3V33 Y45 A46 K48 V73 K74 V75 I93 Y97V33-M95 HydrophobicContact CG1-CE 4.43Å; Y45-M95 WeakPolarHBondContact CA-O 3.49Å; Y45-M95 WeakPolarHBondContact CB-O 3.36Å; Y45-M95 WeakPolarHBondContact CD1-O 3.44Å; A46-M95 HydrophobicContact CB-CB 4.5Å; A46-M95 HydrophobicContact CB-CE 4.26Å; A46-M95 PolarHBondContact N-O 3.31Å; A46-M95 PolarHBondContact O-N 3.48Å; K48-M95 HydrophobicContact CB-CE 3.74Å; V73-M95 HydrophobicContact CG1-CB 3.89Å; V73-M95 HydrophobicContact CG1-CG 4.43Å; V73-M95 HydrophobicContact CG1-SD 4.33Å; K74-M95 CarbonylContact O-C 3.59Å; K74-M95 VanDerWaalsContact O-CA 3.27Å; K74-M95 WeakPolarHBondContact O-CA 3.4Å; V75-M95 HydrophobicContact CG2-CG 4.42Å; I93-M95 HydrophobicContact CG2-CG 3.85Å; I93-M95 HydrophobicContact CG2-SD 4.3Å; M95-Y97 PolarHBondContact O-N 3.06Å
96E97.2Very high94Very high37 Ų3743.6 Ų43.617%0.17321%0.21CC..EExtended strand (participates in β ladder)trans-55141.1170.566.6179.6126.800111.6V73 K74 M98 K159V73-E96 WeakPolarHBondContact CA-OE1 3.36Å; V73-E96 HydrophobicContact CG1-CG 3.85Å; K74-E96 HydrophobicContact CB-CG 4.23Å; K74-E96 VanDerWaalsContact CB-OE1 3.3Å; K74-E96 WeakPolarHBondContact CB-OE1 3.49Å; K74-E96 PolarHBondContact N-OE1 3.36Å; K74-E96 PolarHBondContact O-N 3.22Å; E96-M98 HydrophobicContact CG-SD 3.86Å; E96-M98 PolarHBondContact O-N 2.97Å; E96-K159 VanDerWaalsContact OE1-CD 3.29Å; E96-K159 WeakPolarHBondContact OE1-CD 3.38Å; E96-K159 IonicContact OE1-NZ 2.68Å; E96-K159 PolarHBondContact OE1-NZ 3.1Å; E96-K159 IonicContact OE2-NZ 3.77Å; E96-K159 PolarHBondContact OE2-NZ 3.16Å
97Y96.8Very high93.9Very high60 Ų6040.4 Ų40.424%0.23519%0.19CC..  trans-83.2115.1-179.9-179.4-144.3000111L25 Q44 M95 R99L25-Y97 HydrophobicContact CD1-CD2 3.69Å; L25-Y97 HydrophobicContact CD1-CE2 3.59Å; L25-Y97 HydrophobicContact CD2-CE2 3.57Å; L25-Y97 HydrophobicContact CG-CE2 4.21Å; Q44-Y97 HydrophobicContact CB-CD1 3.88Å; Q44-Y97 WeakPolarHBondContact O-CB 3.23Å; M95-Y97 PolarHBondContact O-N 3.06Å; Y97-R99 HydrophobicContact CD1-CG 3.5Å; Y97-R99 HydrophobicContact CE1-CG 3.57Å; Y97-R99 HydrophobicContact CG-CG 4.16Å; Y97-R99 PolarHBondContact O-N 3.2Å; Y97-R99 VanDerWaalsContact O-N 3.11Å
98M96.6Very high93.6Very high19 Ų1937.3 Ų37.39%0.09418%0.176CC..  trans-83.582-179.3-57.9-56.6-68.600111.1V73 E96 G100 L148 Y149 T150 K159V73-M98 HydrophobicContact CG2-CE 4.29Å; V73-M98 HydrophobicContact CG2-CG 3.9Å; V73-M98 HydrophobicContact CG2-SD 3.86Å; E96-M98 HydrophobicContact CG-SD 3.86Å; E96-M98 PolarHBondContact O-N 2.97Å; M98-G100 VanDerWaalsContact C-N 3.27Å; M98-G100 PolarHBondContact O-N 3.14Å; M98-L148 HydrophobicContact CB-CB 3.76Å; M98-L148 HydrophobicContact CB-CD1 3.86Å; M98-L148 HydrophobicContact CB-CG 4.48Å; M98-L148 HydrophobicContact CE-CB 3.92Å; M98-L148 WeakPolarHBondContact CE-O 3.38Å; M98-L148 HydrophobicContact CG-CB 4.01Å; M98-L148 HydrophobicContact CG-CD1 4.02Å; M98-Y149 CarbonylContact C-O 3.6Å; M98-Y149 VanDerWaalsContact CE-C 3.47Å; M98-T150 HydrophobicContact CE-CG2 3.84Å; M98-T150 HydrophobicContact SD-CG2 4.21Å; M98-K159 HydrophobicContact CE-CB 3.68Å; M98-K159 HydrophobicContact CE-CD 3.93Å; M98-K159 HydrophobicContact CE-CG 3.87Å; M98-K159 HydrophobicContact SD-CD 4.16Å
99R95.2Very high93.1Very high140 Ų14040.5 Ų40.553%0.52819%0.193SC..THydrogen-bonded Turntrans-67.5-24.1-173-66.2177.4176.9-169-3.9114.1Y97 G101 T150Y97-R99 HydrophobicContact CD1-CG 3.5Å; Y97-R99 HydrophobicContact CE1-CG 3.57Å; Y97-R99 HydrophobicContact CG-CG 4.16Å; Y97-R99 PolarHBondContact O-N 3.2Å; Y97-R99 VanDerWaalsContact O-N 3.11Å; R99-G101 VanDerWaalsContact C-N 3.26Å; R99-G101 PolarHBondContact O-N 3.21Å; R99-T150 PolarHBondContact N-O 2.84Å
100G94.3Very high92.5Very high8 Ų839.7 Ų39.78%0.08219%0.188CC..THydrogen-bonded Turntrans-78.3-4.6-175.800000115.1M98 Y149 S151 N152M98-G100 VanDerWaalsContact C-N 3.27Å; M98-G100 PolarHBondContact O-N 3.14Å; G100-Y149 VanDerWaalsContact CA-O 3.29Å; G100-Y149 WeakPolarHBondContact CA-O 3.28Å; G100-Y149 PolarHBondContact N-O 2.7Å; G100-S151 VanDerWaalsContact CA-C 3.46Å; G100-S151 WeakPolarHBondContact CA-O 3.31Å; G100-N152 WeakPolarHBondContact CA-OD1 3.29Å
101G93.1Very high91.7Very high31 Ų3144.5 Ų44.532%0.3221%0.213SC..  trans67.1-165.1178.300000114.1R99 L148 Y149R99-G101 VanDerWaalsContact C-N 3.26Å; R99-G101 PolarHBondContact O-N 3.21Å; G101-L148 CarbonylContact O-C 3.56Å; G101-L148 VanDerWaalsContact O-CA 3.23Å; G101-L148 WeakPolarHBondContact O-CA 3.44Å; G101-Y149 PolarHBondContact O-N 3.43Å
102E92.9Very high91.3Very high41 Ų4150.4 Ų50.419%0.19224%0.244CC..BIsolated β-bridgetrans-71.4139.9-176.7-57.1-179.6161.500112.1F104 N105 K106 L148 R306E102-F104 VanDerWaalsContact C-N 3.29Å; E102-F104 PolarHBondContact O-N 3.13Å; E102-N105 PolarHBondContact O-N 2.98Å; E102-N105 VanDerWaalsContact O-N 3.09Å; E102-N105 PolarHBondContact OE2-ND2 2.89Å; E102-K106 PolarHBondContact O-N 2.97Å; E102-L148 HydrophobicContact CB-CD2 4.3Å; E102-L148 HydrophobicContact CG-CD2 3.86Å; E102-R306 IonicContact OE1-CZ 3.68Å; E102-R306 IonicContact OE1-NH1 3.93Å; E102-R306 PolarHBondContact OE1-NH1 3.31Å; E102-R306 IonicContact OE1-NH2 2.67Å; E102-R306 PolarHBondContact OE1-NH2 3.45Å; E102-R306 IonicContact OE2-CZ 2.83Å; E102-R306 IonicContact OE2-NH1 3.19Å; E102-R306 PolarHBondContact OE2-NH1 3.46Å; E102-R306 IonicContact OE2-NH2 2.63Å
103L93Very high91Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-44-50.9177.8169.759.3000113.5N105 K106 I107 I121 I125 L147 Y149 L158 L211L103-N105 VanDerWaalsContact C-N 3.35Å; L103-N105 PolarHBondContact O-N 3.4Å; L103-K106 PolarHBondContact O-N 3.32Å; L103-I107 HydrophobicContact CD1-CD1 3.83Å; L103-I107 HydrophobicContact CD1-CG1 4.34Å; L103-I107 HydrophobicContact CG-CD1 4.09Å; L103-I107 WeakPolarHBondContact O-CG1 3.23Å; L103-I107 PolarHBondContact O-N 3.46Å; L103-I107 VanDerWaalsContact O-N 3.13Å; L103-I121 HydrophobicContact CD1-CD1 3.82Å; L103-I121 HydrophobicContact CD1-CG1 4.24Å; L103-I121 HydrophobicContact CD1-CG2 3.98Å; L103-I121 HydrophobicContact CD2-CG2 3.86Å; L103-I125 HydrophobicContact CD2-CD1 4.45Å; L103-L147 HydrophobicContact CB-CB 4.04Å; L103-L147 HydrophobicContact CD2-CB 4.2Å; L103-L147 HydrophobicContact CD2-CD1 3.81Å; L103-L147 PolarHBondContact N-O 2.7Å; L103-Y149 HydrophobicContact CB-CE2 4.44Å; L103-Y149 HydrophobicContact CD1-CE2 3.61Å; L103-Y149 WeakPolarHBondContact CD1-OH 3.48Å; L103-L158 HydrophobicContact CB-CD1 4.03Å; L103-L158 HydrophobicContact CD1-CD1 4.19Å; L103-L158 HydrophobicContact CD1-CD2 4.29Å; L103-L158 HydrophobicContact CD2-CD2 4.14Å; L103-L211 HydrophobicContact CD2-CD2 4.3Å
104F88.1Confident90.9Very high2 Ų250.9 Ų50.91%0.00925%0.247CC..Hα-helixtrans-75.5-24-172.7-72.3-80.1000113.3E102 I107 K108 P144 I207 I210 L211 F297 W302E102-F104 VanDerWaalsContact C-N 3.29Å; E102-F104 PolarHBondContact O-N 3.13Å; F104-I107 HydrophobicContact CD1-CD1 4.32Å; F104-I107 PolarHBondContact O-N 3.07Å; F104-K108 WeakPolarHBondContact O-CB 3.08Å; F104-K108 PolarHBondContact O-N 2.87Å; F104-P144 HydrophobicContact CD2-CB 3.43Å; F104-P144 VanDerWaalsContact CD2-CB 3.43Å; F104-P144 HydrophobicContact CD2-CG 3.94Å; F104-P144 HydrophobicContact CE2-CB 3.52Å; F104-P144 HydrophobicContact CE2-CG 3.53Å; F104-P144 HydrophobicContact CZ-CG 4.32Å; F104-I207 HydrophobicContact CZ-CG2 4.23Å; F104-I210 HydrophobicContact CD1-CG2 4.21Å; F104-I210 HydrophobicContact CE1-CB 4.15Å; F104-I210 HydrophobicContact CE1-CG2 3.42Å; F104-I210 VanDerWaalsContact CE1-CG2 3.42Å; F104-I210 HydrophobicContact CZ-CB 4.28Å; F104-I210 HydrophobicContact CZ-CG2 3.94Å; F104-L211 HydrophobicContact CE1-CD2 3.95Å; F104-L211 HydrophobicContact CE1-CG 4.37Å; F104-L211 HydrophobicContact CZ-CD2 4.21Å; F104-L211 HydrophobicContact CZ-CG 4.38Å; F104-F297 HydrophobicContact CB-CE1 4.41Å; F104-F297 HydrophobicContact CD1-CD1 4.38Å; F104-F297 AromaticContact CD1-CE1 3.41Å; F104-F297 HydrophobicContact CD1-CE1 3.41Å; F104-F297 VanDerWaalsContact CD1-CE1 3.41Å; F104-F297 HydrophobicContact CD1-CE2 4.21Å; F104-F297 AromaticContact CD1-CZ 3.32Å; F104-F297 HydrophobicContact CD1-CZ 3.32Å; F104-F297 HydrophobicContact CE1-CE1 4Å; F104-F297 AromaticContact CE1-CZ 3.79Å; F104-F297 HydrophobicContact CE1-CZ 3.79Å; F104-F297 HydrophobicContact CG-CE1 4.25Å; F104-F297 HydrophobicContact CG-CZ 4.44Å; F104-W302 HydrophobicContact CB-CH2 4.24Å; F104-W302 HydrophobicContact CB-CZ2 3.57Å; F104-W302 AromaticContact CD1-CH2 3.67Å; F104-W302 HydrophobicContact CD1-CH2 3.67Å; F104-W302 AromaticContact CD1-CZ2 3.91Å; F104-W302 HydrophobicContact CD1-CZ2 3.91Å; F104-W302 HydrophobicContact CD2-CH2 4.01Å; F104-W302 AromaticContact CD2-CZ2 3.84Å; F104-W302 HydrophobicContact CD2-CZ2 3.84Å; F104-W302 AromaticContact CE1-CH2 3.91Å; F104-W302 HydrophobicContact CE1-CH2 3.91Å; F104-W302 HydrophobicContact CE2-CH2 4.21Å; F104-W302 HydrophobicContact CE2-CZ2 4.47Å; F104-W302 AromaticContact CG-CH2 3.68Å; F104-W302 HydrophobicContact CG-CH2 3.68Å; F104-W302 AromaticContact CG-CZ2 3.47Å; F104-W302 HydrophobicContact CG-CZ2 3.47Å; F104-W302 VanDerWaalsContact CG-CZ2 3.47Å; F104-W302 HydrophobicContact CZ-CH2 4.14Å
105N87.7Confident90.8Very high68 Ų6850.9 Ų50.936%0.36425%0.247SC..Hα-helixtrans-67.4-41.6171.5-65.1-17.9000109.9E102 L103 I107 K108 E109E102-N105 PolarHBondContact O-N 2.98Å; E102-N105 VanDerWaalsContact O-N 3.09Å; E102-N105 PolarHBondContact OE2-ND2 2.89Å; L103-N105 VanDerWaalsContact C-N 3.35Å; L103-N105 PolarHBondContact O-N 3.4Å; N105-I107 VanDerWaalsContact C-N 3.35Å; N105-I107 PolarHBondContact O-N 2.84Å; N105-K108 WeakPolarHBondContact O-CB 3.41Å; N105-K108 PolarHBondContact O-N 3.35Å; N105-E109 PolarHBondContact O-N 3.12Å
106K87.8Confident90.7Very high46 Ų4650.8 Ų50.820%0.225%0.247CC..Hα-helixtrans-64.9-36.9175.6-164.1167.3-169.7170.40112.8E102 L103 E109 N110 Y149 S151 N152 E153E102-K106 PolarHBondContact O-N 2.97Å; L103-K106 PolarHBondContact O-N 3.32Å; K106-E109 PolarHBondContact O-N 2.91Å; K106-N110 PolarHBondContact O-N 2.73Å; K106-Y149 HydrophobicContact CB-CD2 4.04Å; K106-Y149 HydrophobicContact CB-CE2 3.97Å; K106-Y149 HydrophobicContact CD-CD2 3.47Å; K106-Y149 VanDerWaalsContact CD-CD2 3.47Å; K106-Y149 HydrophobicContact CD-CE2 3.61Å; K106-Y149 HydrophobicContact CD-CG 3.99Å; K106-Y149 HydrophobicContact CG-CD2 4.35Å; K106-Y149 HydrophobicContact CG-CE2 4.26Å; K106-S151 PolarHBondContact NZ-O 2.93Å; K106-N152 PolarHBondContact NZ-O 3.06Å; K106-E153 PolarHBondContact NZ-O 3.44Å
107I88.4Confident90.6Very high4 Ų452 Ų522%0.02125%0.253CS..Hα-helixtrans-69-38.3175.6-64.7171.3000111.2L103 F104 N105 E109 N110 F113 I121 L211 T293 F297L103-I107 HydrophobicContact CD1-CD1 3.83Å; L103-I107 HydrophobicContact CD1-CG1 4.34Å; L103-I107 HydrophobicContact CG-CD1 4.09Å; L103-I107 WeakPolarHBondContact O-CG1 3.23Å; L103-I107 PolarHBondContact O-N 3.46Å; L103-I107 VanDerWaalsContact O-N 3.13Å; F104-I107 HydrophobicContact CD1-CD1 4.32Å; F104-I107 PolarHBondContact O-N 3.07Å; N105-I107 VanDerWaalsContact C-N 3.35Å; N105-I107 PolarHBondContact O-N 2.84Å; I107-E109 PolarHBondContact O-N 2.96Å; I107-N110 PolarHBondContact O-N 3.22Å; I107-N110 VanDerWaalsContact O-N 3.08Å; I107-F113 HydrophobicContact CD1-CE1 4.36Å; I107-F113 HydrophobicContact CD1-CE2 4.11Å; I107-F113 HydrophobicContact CD1-CZ 3.89Å; I107-F113 HydrophobicContact CG1-CD2 4.29Å; I107-F113 HydrophobicContact CG1-CE2 3.99Å; I107-F113 HydrophobicContact CG1-CZ 4.25Å; I107-F113 HydrophobicContact CG2-CB 4.43Å; I107-F113 HydrophobicContact CG2-CD1 4.05Å; I107-F113 HydrophobicContact CG2-CD2 4.25Å; I107-F113 HydrophobicContact CG2-CE1 4.38Å; I107-F113 HydrophobicContact CG2-CG 3.98Å; I107-I121 HydrophobicContact CD1-CD1 4.27Å; I107-L211 HydrophobicContact CD1-CD2 3.21Å; I107-T293 HydrophobicContact CG2-CG2 4.15Å; I107-F297 HydrophobicContact CB-CE2 4.36Å; I107-F297 HydrophobicContact CG2-CD2 4.4Å; I107-F297 HydrophobicContact CG2-CE2 3.72Å
108K84.4Confident90.6Very high95 Ų9549.2 Ų49.241%0.41324%0.242SC..Hα-helixtrans-59.5-32.8176.7-178.6179.1179.3170.20112.5F104 N105 F297F104-K108 WeakPolarHBondContact O-CB 3.08Å; F104-K108 PolarHBondContact O-N 2.87Å; N105-K108 WeakPolarHBondContact O-CB 3.41Å; N105-K108 PolarHBondContact O-N 3.35Å; K108-F297 HydrophobicContact CB-CB 4.01Å; K108-F297 HydrophobicContact CB-CD2 4.4Å; K108-F297 HydrophobicContact CD-CB 3.99Å; K108-F297 WeakPolarHBondContact CE-O 3.45Å; K108-F297 HydrophobicContact CG-CB 3.94Å; K108-F297 PolarHBondContact NZ-O 3.14Å; K108-F297 VanDerWaalsContact NZ-O 3.09Å
109E83.3Confident90.6Very high156 Ų15648.3 Ų48.373%0.72924%0.237SC*.THydrogen-bonded Turntrans-82.6-12.8177.8-67171.2-175.200113.5N105 K106 I107N105-E109 PolarHBondContact O-N 3.12Å; K106-E109 PolarHBondContact O-N 2.91Å; I107-E109 PolarHBondContact O-N 2.96Å
110N83Confident90.7Very high50 Ų5045.4 Ų45.427%0.26723%0.229SC..  trans-98.4108.5-179-174.81.7000111.4K106 I107 N112K106-N110 PolarHBondContact O-N 2.73Å; I107-N110 PolarHBondContact O-N 3.22Å; I107-N110 VanDerWaalsContact O-N 3.08Å; N110-N112 VanDerWaalsContact C-N 3.28Å; N110-N112 PolarHBondContact O-N 3.29Å; N110-N112 PolarHBondContact OD1-N 3.04Å
111E78.6Confident90.9Very high157 Ų15745.4 Ų45.473%0.73423%0.227SC*.THydrogen-bonded Turntrans-70.4-21.7178.7-64.6-17416200114
112N87.3Confident91.1Very high123 Ų12343.9 Ų43.966%0.65821%0.211SC*.THydrogen-bonded Turntrans-112.938-172.6-66.6-50.7000112.3N110 T114N110-N112 VanDerWaalsContact C-N 3.28Å; N110-N112 PolarHBondContact O-N 3.29Å; N110-N112 PolarHBondContact OD1-N 3.04Å; N112-T114 WeakPolarHBondContact O-CG2 3.49Å; N112-T114 PolarHBondContact O-N 3.34Å
113F91.7Very high91.3Very high6 Ų645.8 Ų45.83%0.02622%0.217CC..  trans-67.1130.5179.6-168.6-112.4000111.9I107 E117 A118 I121 L211 L291 T293I107-F113 HydrophobicContact CD1-CE1 4.36Å; I107-F113 HydrophobicContact CD1-CE2 4.11Å; I107-F113 HydrophobicContact CD1-CZ 3.89Å; I107-F113 HydrophobicContact CG1-CD2 4.29Å; I107-F113 HydrophobicContact CG1-CE2 3.99Å; I107-F113 HydrophobicContact CG1-CZ 4.25Å; I107-F113 HydrophobicContact CG2-CB 4.43Å; I107-F113 HydrophobicContact CG2-CD1 4.05Å; I107-F113 HydrophobicContact CG2-CD2 4.25Å; I107-F113 HydrophobicContact CG2-CE1 4.38Å; I107-F113 HydrophobicContact CG2-CG 3.98Å; F113-E117 WeakPolarHBondContact CA-OE2 3.42Å; F113-E117 HydrophobicContact CD2-CB 3.98Å; F113-E117 HydrophobicContact CE2-CB 3.59Å; F113-E117 HydrophobicContact CZ-CB 4.25Å; F113-A118 HydrophobicContact CE1-CB 3.91Å; F113-A118 HydrophobicContact CZ-CB 3.91Å; F113-I121 HydrophobicContact CE2-CD1 3.72Å; F113-I121 HydrophobicContact CZ-CD1 3.77Å; F113-L211 WeakPolarHBondContact CE1-O 3.33Å; F113-L211 HydrophobicContact CZ-CD2 4.24Å; F113-L291 HydrophobicContact CD1-CB 4.4Å; F113-L291 HydrophobicContact CD1-CD1 3.77Å; F113-L291 HydrophobicContact CE1-CD1 3.86Å; F113-L291 WeakPolarHBondContact O-CB 3.32Å; F113-L291 PolarHBondContact O-N 2.63Å; F113-T293 HydrophobicContact CD1-CG2 4.42Å
114T94.5Very high91.6Very high18 Ų1847.4 Ų47.411%0.1123%0.225CC..BIsolated β-bridgetrans-118.9162.1-171.861.30000113.8N112 S116 E117 A118 N288 T289 L291N112-T114 WeakPolarHBondContact O-CG2 3.49Å; N112-T114 PolarHBondContact O-N 3.34Å; T114-S116 PolarHBondContact O-N 2.92Å; T114-E117 PolarHBondContact N-OE2 3.17Å; T114-E117 PolarHBondContact O-N 2.98Å; T114-E117 WeakPolarHBondContact OG1-CG 3.3Å; T114-E117 PolarHBondContact OG1-N 3.46Å; T114-E117 PolarHBondContact OG1-OE2 3.3Å; T114-A118 PolarHBondContact O-N 3.28Å; T114-N288 HydrophobicContact CG2-CB 4.28Å; T114-T289 CarbonylContact C-O 3.6Å; T114-T289 VanDerWaalsContact CA-O 3.3Å; T114-T289 WeakPolarHBondContact CA-O 3.4Å; T114-L291 VanDerWaalsContact C-CD1 3.46Å; T114-L291 WeakPolarHBondContact O-CD1 3.34Å
115E95.8Very high92.1Very high1 Ų147.4 Ų47.41%0.00523%0.225CC..Hα-helixtrans-59.2-36.2173.4-164.4-178.8148.400112.2A118 A119 L212 S250 W279 V286 T289 L291E115-A118 PolarHBondContact O-N 2.92Å; E115-A119 PolarHBondContact O-N 3.15Å; E115-L212 HydrophobicContact CG-CD2 3.86Å; E115-S250 WeakPolarHBondContact OE1-CB 3.31Å; E115-S250 PolarHBondContact OE1-OG 3.41Å; E115-S250 PolarHBondContact OE2-N 3.48Å; E115-W279 HydrophobicContact CG-CZ2 4.05Å; E115-W279 PolarHBondContact OE1-NE1 3.38Å; E115-V286 HydrophobicContact CB-CG1 4.07Å; E115-V286 HydrophobicContact CG-CG1 3.7Å; E115-T289 PolarHBondContact N-O 3.01Å; E115-L291 HydrophobicContact CB-CD2 4.37Å
116S95.6Very high92.6Very high4 Ų444.2 Ų44.23%0.02821%0.208CC..Hα-helixtrans-61.4-42.9175.1-167.30000112.6T114 A119 K120 V286 P287 N288T114-S116 PolarHBondContact O-N 2.92Å; S116-A119 PolarHBondContact O-N 3.06Å; S116-K120 WeakPolarHBondContact O-CG 3.5Å; S116-K120 PolarHBondContact O-N 3.06Å; S116-V286 VanDerWaalsContact CB-O 3.32Å; S116-V286 WeakPolarHBondContact CB-O 3.42Å; S116-V286 PolarHBondContact OG-O 3.21Å; S116-P287 PolarHBondContact N-O 3.32Å; S116-N288 WeakPolarHBondContact CB-OD1 3.33Å
117E94.8Very high93.1Very high64 Ų6442.9 Ų42.930%0.29920%0.204SC..Hα-helixtrans-67.2-41.2176.3-70.4167.812100111.7F113 T114 A119 K120 I121F113-E117 WeakPolarHBondContact CA-OE2 3.42Å; F113-E117 HydrophobicContact CD2-CB 3.98Å; F113-E117 HydrophobicContact CE2-CB 3.59Å; F113-E117 HydrophobicContact CZ-CB 4.25Å; T114-E117 PolarHBondContact N-OE2 3.17Å; T114-E117 PolarHBondContact O-N 2.98Å; T114-E117 WeakPolarHBondContact OG1-CG 3.3Å; T114-E117 PolarHBondContact OG1-N 3.46Å; T114-E117 PolarHBondContact OG1-OE2 3.3Å; E117-A119 VanDerWaalsContact C-N 3.32Å; E117-A119 PolarHBondContact O-N 3.3Å; E117-K120 PolarHBondContact O-N 3.17Å; E117-I121 WeakPolarHBondContact O-CG1 3.4Å; E117-I121 PolarHBondContact O-N 3.08Å
118A96Very high93.5Very high0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-58.5-43.7173.200000111.7F113 T114 E115 K120 I121 V122 L211 L212 W279 L291F113-A118 HydrophobicContact CE1-CB 3.91Å; F113-A118 HydrophobicContact CZ-CB 3.91Å; T114-A118 PolarHBondContact O-N 3.28Å; E115-A118 PolarHBondContact O-N 2.92Å; A118-K120 PolarHBondContact O-N 2.96Å; A118-I121 PolarHBondContact O-N 3.36Å; A118-V122 WeakPolarHBondContact O-CG2 3.38Å; A118-V122 PolarHBondContact O-N 3.28Å; A118-L211 HydrophobicContact CB-CB 4.21Å; A118-L212 HydrophobicContact CB-CD2 3.72Å; A118-L212 HydrophobicContact CB-CG 4.46Å; A118-W279 HydrophobicContact CB-CH2 4.41Å; A118-L291 HydrophobicContact CB-CD1 4.19Å
119A97.6Very high94.2Very high0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-62.3-43177.200000112.4E115 S116 E117 I121 V122 Y123 W279 H283 V286E115-A119 PolarHBondContact O-N 3.15Å; S116-A119 PolarHBondContact O-N 3.06Å; E117-A119 VanDerWaalsContact C-N 3.32Å; E117-A119 PolarHBondContact O-N 3.3Å; A119-I121 VanDerWaalsContact C-N 3.34Å; A119-I121 PolarHBondContact O-N 2.9Å; A119-V122 PolarHBondContact O-N 3.32Å; A119-Y123 WeakPolarHBondContact O-CB 3.44Å; A119-Y123 PolarHBondContact O-N 3.01Å; A119-W279 VanDerWaalsContact CA-CH2 3.44Å; A119-W279 HydrophobicContact CB-CD2 4.25Å; A119-W279 HydrophobicContact CB-CE3 4.35Å; A119-W279 HydrophobicContact CB-CH2 3.85Å; A119-W279 HydrophobicContact CB-CZ2 3.68Å; A119-W279 HydrophobicContact CB-CZ3 4.18Å; A119-H283 HydrophobicContact CB-CB 3.8Å; A119-V286 HydrophobicContact CB-CB 4.06Å; A119-V286 HydrophobicContact CB-CG1 4.17Å; A119-V286 HydrophobicContact CB-CG2 3.77Å
120K97.1Very high94.9Very high80 Ų8031.4 Ų31.435%0.34815%0.154SC..Hα-helixtrans-60.8-41.9174.9-73.7167.7-168.9173.20112.1S116 E117 A118 Y123 Q124S116-K120 WeakPolarHBondContact O-CG 3.5Å; S116-K120 PolarHBondContact O-N 3.06Å; E117-K120 PolarHBondContact O-N 3.17Å; A118-K120 PolarHBondContact O-N 2.96Å; K120-Y123 PolarHBondContact O-N 3.38Å; K120-Q124 WeakPolarHBondContact O-CG 3.47Å; K120-Q124 PolarHBondContact O-N 3.37Å; K120-Q124 VanDerWaalsContact O-N 3.1Å
121I97.2Very high95.5Very high7 Ų731 Ų314%0.03615%0.149CC..Hα-helixtrans-63.8-48.4176.6-72.9162.8000110.4L103 I107 F113 E117 A118 A119 Y123 Q124 I125 L158 L211L103-I121 HydrophobicContact CD1-CD1 3.82Å; L103-I121 HydrophobicContact CD1-CG1 4.24Å; L103-I121 HydrophobicContact CD1-CG2 3.98Å; L103-I121 HydrophobicContact CD2-CG2 3.86Å; I107-I121 HydrophobicContact CD1-CD1 4.27Å; F113-I121 HydrophobicContact CE2-CD1 3.72Å; F113-I121 HydrophobicContact CZ-CD1 3.77Å; E117-I121 WeakPolarHBondContact O-CG1 3.4Å; E117-I121 PolarHBondContact O-N 3.08Å; A118-I121 PolarHBondContact O-N 3.36Å; A119-I121 VanDerWaalsContact C-N 3.34Å; A119-I121 PolarHBondContact O-N 2.9Å; I121-Y123 VanDerWaalsContact C-N 3.28Å; I121-Y123 PolarHBondContact O-N 3.08Å; I121-Q124 PolarHBondContact O-N 3.43Å; I121-Q124 VanDerWaalsContact O-N 3.14Å; I121-I125 HydrophobicContact CG2-CD1 3.8Å; I121-I125 HydrophobicContact CG2-CG1 4.48Å; I121-I125 WeakPolarHBondContact O-CG1 3.41Å; I121-I125 PolarHBondContact O-N 3.45Å; I121-L158 HydrophobicContact CG2-CD2 3.86Å; I121-L211 HydrophobicContact CB-CD1 4.28Å; I121-L211 HydrophobicContact CD1-CD2 4.42Å; I121-L211 HydrophobicContact CG2-CD1 3.57Å; I121-L211 HydrophobicContact CG2-CD2 4.23Å
122V98.1Very high96.4Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-61.2-38.5178.5171.50000111.3A118 A119 I125 S126 L204 T208 L211 W279 V280A118-V122 WeakPolarHBondContact O-CG2 3.38Å; A118-V122 PolarHBondContact O-N 3.28Å; A119-V122 PolarHBondContact O-N 3.32Å; V122-I125 PolarHBondContact O-N 3.32Å; V122-S126 WeakPolarHBondContact O-CB 3.43Å; V122-S126 PolarHBondContact O-N 3.04Å; V122-S126 PolarHBondContact O-OG 2.9Å; V122-L204 HydrophobicContact CG1-CD1 4.23Å; V122-T208 HydrophobicContact CG2-CG2 4.04Å; V122-T208 WeakPolarHBondContact CG2-OG1 3.3Å; V122-L211 HydrophobicContact CG2-CD1 3.81Å; V122-W279 HydrophobicContact CB-CH2 4.41Å; V122-W279 HydrophobicContact CB-CZ3 3.83Å; V122-W279 HydrophobicContact CG1-CZ3 3.94Å; V122-W279 HydrophobicContact CG2-CH2 4.12Å; V122-W279 HydrophobicContact CG2-CZ3 3.89Å; V122-V280 HydrophobicContact CG1-CG2 4.12Å
123Y98.1Very high96.7Very high80 Ų8018.1 Ų18.131%0.3149%0.085SC..Hα-helixtrans-61-45.3173.6174.4-94.7000112.5A119 K120 I121 S126 S127 M275 V280 H283A119-Y123 WeakPolarHBondContact O-CB 3.44Å; A119-Y123 PolarHBondContact O-N 3.01Å; K120-Y123 PolarHBondContact O-N 3.38Å; I121-Y123 VanDerWaalsContact C-N 3.28Å; I121-Y123 PolarHBondContact O-N 3.08Å; Y123-S126 PolarHBondContact O-N 3.49Å; Y123-S127 WeakPolarHBondContact O-CB 3.42Å; Y123-S127 PolarHBondContact O-N 3.19Å; Y123-S127 PolarHBondContact O-OG 2.83Å; Y123-M275 HydrophobicContact CD2-CE 4.03Å; Y123-M275 HydrophobicContact CD2-SD 4.44Å; Y123-M275 HydrophobicContact CE2-CE 3.56Å; Y123-V280 HydrophobicContact CD2-CG1 4.09Å; Y123-H283 AromaticContact CD1-CE1 3.66Å; Y123-H283 AromaticContact CD2-CE1 3.57Å; Y123-H283 AromaticContact CD2-ND1 3.43Å; Y123-H283 WeakPolarHBondContact CD2-ND1 3.24Å; Y123-H283 AromaticContact CE1-CE1 3.87Å; Y123-H283 AromaticContact CE2-CE1 3.76Å; Y123-H283 AromaticContact CG-CE1 3.51Å; Y123-H283 AromaticContact CG-ND1 3.46Å; Y123-H283 AromaticContact CZ-CE1 3.92Å
124Q97.9Very high96.8Very high34 Ų3422.9 Ų22.916%0.15911%0.108CC..Hα-helixtrans-63.2-44.5178.2-69.9-175.769.100111.8H71 K120 I121 S127 A128 L158H71-Q124 WeakPolarHBondContact CB-O 3.41Å; H71-Q124 VanDerWaalsContact CE1-CG 3.44Å; H71-Q124 WeakPolarHBondContact CE1-CG 3.35Å; H71-Q124 PolarHBondContact CE1-OE1 3.13Å; H71-Q124 PolarHBondContact ND1-OE1 3.45Å; K120-Q124 WeakPolarHBondContact O-CG 3.47Å; K120-Q124 PolarHBondContact O-N 3.37Å; K120-Q124 VanDerWaalsContact O-N 3.1Å; I121-Q124 PolarHBondContact O-N 3.43Å; I121-Q124 VanDerWaalsContact O-N 3.14Å; Q124-S127 WeakPolarHBondContact O-CB 3.36Å; Q124-S127 PolarHBondContact O-N 3.29Å; Q124-A128 PolarHBondContact O-N 3.26Å; Q124-A128 VanDerWaalsContact O-N 3.12Å; Q124-L158 HydrophobicContact CB-CB 4.43Å
125I98.4Very high96.7Very high3 Ų327.1 Ų27.12%0.01512%0.121CC..Hα-helixtrans-62.5-46.7175.9-59.7166.2000110.1L103 I121 V122 S127 A128 I129 L142 L147 L158 L204 I207L103-I125 HydrophobicContact CD2-CD1 4.45Å; I121-I125 HydrophobicContact CG2-CD1 3.8Å; I121-I125 HydrophobicContact CG2-CG1 4.48Å; I121-I125 WeakPolarHBondContact O-CG1 3.41Å; I121-I125 PolarHBondContact O-N 3.45Å; V122-I125 PolarHBondContact O-N 3.32Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.28Å; I125-A128 WeakPolarHBondContact O-CB 2.92Å; I125-A128 PolarHBondContact O-N 3.25Å; I125-A128 VanDerWaalsContact O-N 3.16Å; I125-I129 HydrophobicContact CG2-CD1 3.98Å; I125-I129 WeakPolarHBondContact O-CG1 3.47Å; I125-I129 PolarHBondContact O-N 3.09Å; I125-L142 HydrophobicContact CG2-CD1 4.01Å; I125-L142 HydrophobicContact CG2-CD2 4.13Å; I125-L147 HydrophobicContact CD1-CD1 3.62Å; I125-L147 HydrophobicContact CD1-CD2 4.41Å; I125-L147 HydrophobicContact CG1-CD1 4.11Å; I125-L147 HydrophobicContact CG1-CD2 3.96Å; I125-L147 HydrophobicContact CG2-CD2 4.46Å; I125-L158 HydrophobicContact CD1-CD2 4.16Å; I125-L158 HydrophobicContact CG1-CD2 3.75Å; I125-L204 HydrophobicContact CB-CD1 4.15Å; I125-L204 HydrophobicContact CG2-CD1 3.74Å; I125-I207 HydrophobicContact CD1-CG2 3.88Å
126S98.3Very high96.5Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-62.9-36.3180-57.80000111.7V122 Y123 I129 A130 L204 M275V122-S126 WeakPolarHBondContact O-CB 3.43Å; V122-S126 PolarHBondContact O-N 3.04Å; V122-S126 PolarHBondContact O-OG 2.9Å; Y123-S126 PolarHBondContact O-N 3.49Å; S126-I129 PolarHBondContact O-N 2.9Å; S126-A130 VanDerWaalsContact O-CB 3.27Å; S126-A130 WeakPolarHBondContact O-CB 3.41Å; S126-A130 PolarHBondContact O-N 2.93Å; S126-L204 WeakPolarHBondContact OG-CD2 3.4Å; S126-M275 WeakPolarHBondContact CB-SD 3.07Å
127S98Very high96.4Very high18 Ų1829.7 Ų29.713%0.12614%0.135CC..Hα-helixtrans-63.3-41.2174.9-63.90000112.1Y123 Q124 I125 Y131 M275Y123-S127 WeakPolarHBondContact O-CB 3.42Å; Y123-S127 PolarHBondContact O-N 3.19Å; Y123-S127 PolarHBondContact O-OG 2.83Å; Q124-S127 WeakPolarHBondContact O-CB 3.36Å; Q124-S127 PolarHBondContact O-N 3.29Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.28Å; S127-Y131 WeakPolarHBondContact O-CB 3.38Å; S127-Y131 PolarHBondContact O-N 3.48Å; S127-Y131 VanDerWaalsContact O-N 3.08Å; S127-M275 WeakPolarHBondContact OG-CE 3.42Å
128A98.4Very high96.3Very high1 Ų126.6 Ų26.61%0.00812%0.121CC..Hα-helixtrans-62-48.5173.500000111.4H71 I72 Q124 I125 A130 Y131 L132 L160H71-A128 HydrophobicContact CB-CB 3.81Å; H71-A128 WeakPolarHBondContact O-CB 3.47Å; I72-A128 HydrophobicContact CG1-CB 4.15Å; Q124-A128 PolarHBondContact O-N 3.26Å; Q124-A128 VanDerWaalsContact O-N 3.12Å; I125-A128 WeakPolarHBondContact O-CB 2.92Å; I125-A128 PolarHBondContact O-N 3.25Å; I125-A128 VanDerWaalsContact O-N 3.16Å; A128-A130 PolarHBondContact O-N 2.93Å; A128-Y131 WeakPolarHBondContact O-CB 3.3Å; A128-Y131 PolarHBondContact O-N 3.05Å; A128-L132 WeakPolarHBondContact O-CG 3.17Å; A128-L132 PolarHBondContact O-N 3.44Å; A128-L132 VanDerWaalsContact O-N 3.17Å; A128-L160 HydrophobicContact CB-CB 4.19Å; A128-L160 HydrophobicContact CB-CD2 4.33Å
129I98Very high96.2Very high0 Ų026.7 Ų26.70%012%0.121CC..Hα-helixtrans-62.7-42.4179.3-60.4167.1000110.9I125 S126 Y131 L132 H133 L142 D200 L204 I271I125-I129 HydrophobicContact CG2-CD1 3.98Å; I125-I129 WeakPolarHBondContact O-CG1 3.47Å; I125-I129 PolarHBondContact O-N 3.09Å; S126-I129 PolarHBondContact O-N 2.9Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 3.23Å; I129-L132 WeakPolarHBondContact O-CB 3.41Å; I129-L132 PolarHBondContact O-N 3.22Å; I129-H133 VanDerWaalsContact CG2-CE1 3.45Å; I129-H133 WeakPolarHBondContact CG2-CE1 3.07Å; I129-H133 WeakPolarHBondContact CG2-NE2 3.36Å; I129-H133 WeakPolarHBondContact O-CB 3.09Å; I129-H133 PolarHBondContact O-CD2 3.32Å; I129-H133 PolarHBondContact O-N 3.31Å; I129-L142 HydrophobicContact CD1-CD2 3.51Å; I129-L142 HydrophobicContact CG1-CD2 4.3Å; I129-D200 HydrophobicContact CG2-CB 4.04Å; I129-L204 HydrophobicContact CD1-CB 4.27Å; I129-L204 HydrophobicContact CD1-CD1 4.42Å; I129-L204 HydrophobicContact CD1-CD2 4.33Å; I129-I271 HydrophobicContact CB-CD1 3.9Å; I129-I271 HydrophobicContact CB-CG1 3.98Å; I129-I271 HydrophobicContact CD1-CD1 4.39Å; I129-I271 HydrophobicContact CG2-CB 4.19Å; I129-I271 HydrophobicContact CG2-CD1 3.83Å; I129-I271 HydrophobicContact CG2-CG1 3.77Å
130A97.5Very high95.9Very high13 Ų1328 Ų2811%0.10713%0.126CC..Hα-helixtrans-58.2-47.117800000110.6S126 A128 L132 H133 E134 I271 M275S126-A130 VanDerWaalsContact O-CB 3.27Å; S126-A130 WeakPolarHBondContact O-CB 3.41Å; S126-A130 PolarHBondContact O-N 2.93Å; A128-A130 PolarHBondContact O-N 2.93Å; A130-L132 VanDerWaalsContact C-N 3.28Å; A130-L132 PolarHBondContact O-N 2.83Å; A130-H133 PolarHBondContact O-N 3.12Å; A130-E134 WeakPolarHBondContact O-CB 3.38Å; A130-E134 VanDerWaalsContact O-CG 3.29Å; A130-E134 WeakPolarHBondContact O-CG 3.36Å; A130-E134 PolarHBondContact O-N 2.66Å; A130-I271 HydrophobicContact CB-CG1 3.91Å; A130-I271 HydrophobicContact CB-CG2 4.25Å; A130-M275 HydrophobicContact CB-CG 4.3Å
131Y97.3Very high95.6Very high41 Ų4124.2 Ų24.216%0.16111%0.11CC..Hα-helixtrans-58.3-39.3177.8-172.3-85.3000112.9V66 C69 I72 S127 A128 I129 R135V66-Y131 HydrophobicContact CB-CD1 4.25Å; V66-Y131 HydrophobicContact CB-CE1 3.87Å; V66-Y131 HydrophobicContact CG1-CE1 4.22Å; C69-Y131 HydrophobicContact CB-CD1 3.59Å; C69-Y131 HydrophobicContact CB-CD2 3.9Å; C69-Y131 HydrophobicContact CB-CE1 3.82Å; C69-Y131 HydrophobicContact CB-CE2 4.09Å; C69-Y131 HydrophobicContact CB-CG 3.63Å; I72-Y131 HydrophobicContact CD1-CD1 4.08Å; S127-Y131 WeakPolarHBondContact O-CB 3.38Å; S127-Y131 PolarHBondContact O-N 3.48Å; S127-Y131 VanDerWaalsContact O-N 3.08Å; A128-Y131 WeakPolarHBondContact O-CB 3.3Å; A128-Y131 PolarHBondContact O-N 3.05Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 3.23Å; Y131-R135 VanDerWaalsContact CE2-CZ 3.41Å; Y131-R135 VanDerWaalsContact CE2-NH2 3.31Å; Y131-R135 PolarHBondContact O-NH1 3.46Å; Y131-R135 PolarHBondContact OH-NE 3.36Å; Y131-R135 PolarHBondContact OH-NH2 3.29Å
132L96.7Very high95.4Very high0 Ų024 Ų240%011%0.108CC..Hα-helixtrans-69.3-51.4175.2-63.9179.9000112.1V66 I72 A128 I129 A130 E134 R135 N136 I137 H139 L160 F163V66-L132 HydrophobicContact CB-CD2 3.84Å; V66-L132 HydrophobicContact CG1-CD2 3.66Å; V66-L132 HydrophobicContact CG2-CD2 3.86Å; I72-L132 HydrophobicContact CD1-CD2 3.63Å; I72-L132 HydrophobicContact CD1-CG 4Å; A128-L132 WeakPolarHBondContact O-CG 3.17Å; A128-L132 PolarHBondContact O-N 3.44Å; A128-L132 VanDerWaalsContact O-N 3.17Å; I129-L132 WeakPolarHBondContact O-CB 3.41Å; I129-L132 PolarHBondContact O-N 3.22Å; A130-L132 VanDerWaalsContact C-N 3.28Å; A130-L132 PolarHBondContact O-N 2.83Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.44Å; L132-R135 CarbonylContact O-C 3.59Å; L132-R135 WeakPolarHBondContact O-CA 3.46Å; L132-R135 PolarHBondContact O-N 3.32Å; L132-N136 PolarHBondContact O-N 2.99Å; L132-I137 CarbonylContact C-O 3.53Å; L132-I137 HydrophobicContact CB-CB 4.26Å; L132-I137 HydrophobicContact CB-CG2 4.39Å; L132-I137 WeakPolarHBondContact CB-O 3.33Å; L132-I137 HydrophobicContact CD2-CB 4.43Å; L132-I137 HydrophobicContact CD2-CG2 4.09Å; L132-I137 PolarHBondContact O-N 3.29Å; L132-H139 HydrophobicContact CD1-CB 3.9Å; L132-L160 HydrophobicContact CD1-CD2 3.99Å; L132-F163 HydrophobicContact CD1-CE1 4.08Å; L132-F163 HydrophobicContact CD2-CE1 3.78Å; L132-F163 HydrophobicContact CD2-CZ 4.35Å
133H94.7Very high95Very high11 Ų1124.2 Ų24.25%0.05111%0.109CC..Hα-helixtrans-65.9-33.1-174.1-76.7-160.5000112.5I129 A130 R135 N136 I137 K197 D200 I271I129-H133 VanDerWaalsContact CG2-CE1 3.45Å; I129-H133 WeakPolarHBondContact CG2-CE1 3.07Å; I129-H133 WeakPolarHBondContact CG2-NE2 3.36Å; I129-H133 WeakPolarHBondContact O-CB 3.09Å; I129-H133 PolarHBondContact O-CD2 3.32Å; I129-H133 PolarHBondContact O-N 3.31Å; A130-H133 PolarHBondContact O-N 3.12Å; H133-R135 PolarHBondContact O-N 3.45Å; H133-N136 PolarHBondContact O-N 2.81Å; H133-I137 PolarHBondContact CD2-O 3.19Å; H133-I137 VanDerWaalsContact CD2-O 3.28Å; H133-I137 PolarHBondContact N-O 3.05Å; H133-K197 HydrophobicContact CB-CD 4.22Å; H133-K197 VanDerWaalsContact CE1-CB 3.5Å; H133-K197 WeakPolarHBondContact CE1-CB 3.5Å; H133-K197 PolarHBondContact CE1-O 3.49Å; H133-K197 VanDerWaalsContact CE1-O 3.29Å; H133-K197 PolarHBondContact O-NZ 3.47Å; H133-D200 IonicContact CD2-OD2 3.39Å; H133-D200 IonicContact CE1-OD2 3.93Å; H133-D200 IonicContact NE2-OD2 3.85Å; H133-D200 PolarHBondContact NE2-OD2 3.33Å; H133-I271 HydrophobicContact CB-CG2 3.75Å
134E93.4Very high94.4Very high105 Ų10520.7 Ų20.749%0.49110%0.096SC..THydrogen-bonded Turntrans-64.6-24.4172.1-75-172.5155.900113A130 L132 N136 R272A130-E134 WeakPolarHBondContact O-CB 3.38Å; A130-E134 VanDerWaalsContact O-CG 3.29Å; A130-E134 WeakPolarHBondContact O-CG 3.36Å; A130-E134 PolarHBondContact O-N 2.66Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.44Å; E134-N136 VanDerWaalsContact C-N 3.34Å; E134-R272 IonicContact OE1-CZ 2.8Å; E134-R272 IonicContact OE1-NE 2.7Å; E134-R272 PolarHBondContact OE1-NE 2.97Å; E134-R272 IonicContact OE1-NH2 2.64Å; E134-R272 PolarHBondContact OE1-NH2 2.81Å
135R92.6Very high93.9Very high107 Ų10720.2 Ų20.240%0.4049%0.094SC..THydrogen-bonded Turntrans-97.213.8174-71.9163.9-179.266.25.2112.5Y131 L132 H133 I137Y131-R135 VanDerWaalsContact CE2-CZ 3.41Å; Y131-R135 VanDerWaalsContact CE2-NH2 3.31Å; Y131-R135 PolarHBondContact O-NH1 3.46Å; Y131-R135 PolarHBondContact OH-NE 3.36Å; Y131-R135 PolarHBondContact OH-NH2 3.29Å; L132-R135 CarbonylContact O-C 3.59Å; L132-R135 WeakPolarHBondContact O-CA 3.46Å; L132-R135 PolarHBondContact O-N 3.32Å; H133-R135 PolarHBondContact O-N 3.45Å; R135-I137 HydrophobicContact CB-CD1 4.05Å; R135-I137 HydrophobicContact CB-CG1 4.5Å; R135-I137 PolarHBondContact O-N 2.9Å
136N91Very high93.7Very high54 Ų5420.5 Ų20.529%0.28910%0.095SC..THydrogen-bonded Turntrans52.841.6-174.9-64.3-35.2000112.6L132 H133 E134 E168 V169 T171 K197L132-N136 PolarHBondContact O-N 2.99Å; H133-N136 PolarHBondContact O-N 2.81Å; E134-N136 VanDerWaalsContact C-N 3.34Å; N136-E168 CarbonylContact O-C 3.6Å; N136-E168 WeakPolarHBondContact O-CA 3.24Å; N136-V169 HydrophobicContact CB-CB 4.4Å; N136-V169 WeakPolarHBondContact O-CB 3.5Å; N136-V169 PolarHBondContact O-N 3.1Å; N136-T171 PolarHBondContact ND2-OG1 3.5Å; N136-T171 VanDerWaalsContact ND2-OG1 3.12Å; N136-K197 PolarHBondContact OD1-NZ 3.35Å
137I92.6Very high93.6Very high5 Ų520.5 Ų20.53%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-113129.5171.8-65.1159000107.4I62 V66 L132 H133 R135 A166 K167 E168I62-I137 HydrophobicContact CG2-CD1 4.2Å; I62-I137 HydrophobicContact CG2-CG2 3.85Å; V66-I137 HydrophobicContact CG1-CD1 3.55Å; L132-I137 CarbonylContact C-O 3.53Å; L132-I137 HydrophobicContact CB-CB 4.26Å; L132-I137 HydrophobicContact CB-CG2 4.39Å; L132-I137 WeakPolarHBondContact CB-O 3.33Å; L132-I137 HydrophobicContact CD2-CB 4.43Å; L132-I137 HydrophobicContact CD2-CG2 4.09Å; L132-I137 PolarHBondContact O-N 3.29Å; H133-I137 PolarHBondContact CD2-O 3.19Å; H133-I137 VanDerWaalsContact CD2-O 3.28Å; H133-I137 PolarHBondContact N-O 3.05Å; R135-I137 HydrophobicContact CB-CD1 4.05Å; R135-I137 HydrophobicContact CB-CG1 4.5Å; R135-I137 PolarHBondContact O-N 2.9Å; I137-A166 HydrophobicContact CG2-CB 4.4Å; I137-K167 WeakPolarHBondContact CA-O 3.1Å; I137-E168 HydrophobicContact CG1-CG 4.44Å
138A93.3Very high93.6Very high0 Ų021.3 Ų21.30%010%0.098CC..EExtended strand (participates in β ladder)trans-103.1137.2166.400000108.7R140 A166 K167 V169 D196 D200A138-R140 HydrophobicContact CB-CG 3.68Å; A138-A166 VanDerWaalsContact O-CA 3.24Å; A138-A166 WeakPolarHBondContact O-CA 3.2Å; A138-K167 PolarHBondContact N-O 3.01Å; A138-K167 PolarHBondContact O-N 3.47Å; A138-V169 HydrophobicContact CB-CG2 3.7Å; A138-D196 HydrophobicContact CB-CB 3.85Å; A138-D200 WeakPolarHBondContact CA-OD2 3.46Å
139H94Very high93.5Very high1 Ų122.3 Ų22.31%0.00510%0.102CC..  trans-75.7-46.9179.7-172.8-93.6000111L132 D141 L142 L160 T161 D162 F163 F165 A166 D200L132-H139 HydrophobicContact CD1-CB 3.9Å; H139-D141 VanDerWaalsContact CE1-C 3.49Å; H139-D141 PolarHBondContact CE1-O 3.37Å; H139-D141 PolarHBondContact ND1-N 3.04Å; H139-D141 PolarHBondContact ND1-O 3.16Å; H139-D141 PolarHBondContact O-N 3.12Å; H139-L142 PolarHBondContact ND1-N 3.03Å; H139-L160 HydrophobicContact CB-CD2 4.41Å; H139-T161 PolarHBondContact NE2-O 3.1Å; H139-T161 VanDerWaalsContact NE2-O 3.12Å; H139-D162 PolarHBondContact CE1-O 3.49Å; H139-D162 VanDerWaalsContact CE1-O 3.29Å; H139-D162 PolarHBondContact NE2-O 3.09Å; H139-F163 AromaticContact CD2-CE1 3.95Å; H139-F165 CarbonylContact O-C 3.59Å; H139-A166 WeakPolarHBondContact O-CA 3.39Å; H139-A166 PolarHBondContact O-N 3.14Å; H139-D200 PolarHBondContact N-OD2 3.34Å
140R91.5Very high93.5Very high29 Ų2923.9 Ų23.911%0.10911%0.111CC..  trans66.1-6.5175.8-48.9-170.9-59.11617.1115.9A138 F165 D196 D200 R317A138-R140 HydrophobicContact CB-CG 3.68Å; R140-F165 HydrophobicContact CB-CB 4.46Å; R140-F165 VanDerWaalsContact CZ-O 3.27Å; R140-F165 PolarHBondContact NE-O 2.83Å; R140-F165 PolarHBondContact NH2-O 3.46Å; R140-D196 WeakPolarHBondContact CD-OD1 3.35Å; R140-D196 IonicContact NE-OD1 3.05Å; R140-D196 IonicContact NH1-OD1 2.9Å; R140-D196 PolarHBondContact NH1-OD1 3.23Å; R140-D196 IonicContact NH1-OD2 3.21Å; R140-D200 WeakPolarHBondContact CA-OD1 3.43Å; R140-D200 PolarHBondContact N-OD1 3.23Å; R140-R317 HydrophobicContact CB-CG 4.38Å; R140-R317 PolarHBondContact O-NE 3.29Å; R140-R317 PolarHBondContact O-NH2 3.15Å
141D91Very high93.4Very high0 Ų024.2 Ų24.20%011%0.113CC..  trans-126.842.6173.1-159.828.4000111.9H139 K143 N146 F165 R317H139-D141 VanDerWaalsContact CE1-C 3.49Å; H139-D141 PolarHBondContact CE1-O 3.37Å; H139-D141 PolarHBondContact ND1-N 3.04Å; H139-D141 PolarHBondContact ND1-O 3.16Å; H139-D141 PolarHBondContact O-N 3.12Å; D141-K143 PolarHBondContact O-N 3.32Å; D141-K143 WeakPolarHBondContact OD1-CD 3.45Å; D141-K143 WeakPolarHBondContact OD1-CE 3.49Å; D141-K143 IonicContact OD1-NZ 3.48Å; D141-K143 PolarHBondContact OD1-NZ 3.35Å; D141-K143 WeakPolarHBondContact OD2-CE 3.41Å; D141-K143 IonicContact OD2-NZ 2.75Å; D141-K143 PolarHBondContact OD2-NZ 2.81Å; D141-N146 PolarHBondContact O-ND2 3.34Å; D141-N146 PolarHBondContact OD2-ND2 2.8Å; D141-F165 HydrophobicContact CB-CB 4.08Å; D141-F165 HydrophobicContact CB-CD2 3.68Å; D141-F165 HydrophobicContact CB-CG 4.22Å; D141-F165 WeakPolarHBondContact OD2-CD2 3.43Å; D141-R317 IonicContact OD1-CZ 3.97Å; D141-R317 IonicContact OD1-NH1 2.84Å; D141-R317 IonicContact OD1-NH2 2.93Å; D141-R317 PolarHBondContact OD1-NH2 3.36Å
142L93.2Very high93.1Very high1 Ų128.1 Ų28.11%0.00514%0.137CC..  trans-74.2114175.5178.366.5000109.6I125 I129 H139 L147 L160 S203 L204 I207 F309 L313I125-L142 HydrophobicContact CG2-CD1 4.01Å; I125-L142 HydrophobicContact CG2-CD2 4.13Å; I129-L142 HydrophobicContact CD1-CD2 3.51Å; I129-L142 HydrophobicContact CG1-CD2 4.3Å; H139-L142 PolarHBondContact ND1-N 3.03Å; L142-L147 HydrophobicContact CD1-CD2 4.1Å; L142-L147 HydrophobicContact CD1-CG 4.48Å; L142-L160 HydrophobicContact CD1-CD1 3.68Å; L142-S203 WeakPolarHBondContact O-CB 3.34Å; L142-L204 HydrophobicContact CD2-CB 4.26Å; L142-I207 HydrophobicContact CD1-CD1 4.19Å; L142-I207 HydrophobicContact CD2-CD1 4.14Å; L142-I207 HydrophobicContact CG-CD1 3.72Å; L142-F309 WeakPolarHBondContact O-CE1 3.49Å; L142-L313 WeakPolarHBondContact O-CD1 3.38Å
143K88.9Confident92.9Very high5 Ų534.9 Ų34.92%0.02217%0.169CC..  trans-155.6160.4-176.252.8179.8176.1-175.60111.9D141 E145 N146 F309 L313D141-K143 PolarHBondContact O-N 3.32Å; D141-K143 WeakPolarHBondContact OD1-CD 3.45Å; D141-K143 WeakPolarHBondContact OD1-CE 3.49Å; D141-K143 IonicContact OD1-NZ 3.48Å; D141-K143 PolarHBondContact OD1-NZ 3.35Å; D141-K143 WeakPolarHBondContact OD2-CE 3.41Å; D141-K143 IonicContact OD2-NZ 2.75Å; D141-K143 PolarHBondContact OD2-NZ 2.81Å; K143-E145 HydrophobicContact CD-CG 3.5Å; K143-E145 WeakPolarHBondContact CD-OE1 3.27Å; K143-E145 VanDerWaalsContact CE-CG 3.44Å; K143-E145 WeakPolarHBondContact CE-OE1 3.44Å; K143-E145 HydrophobicContact CG-CG 3.67Å; K143-E145 IonicContact NZ-OE1 3.4Å; K143-E145 PolarHBondContact NZ-OE1 2.85Å; K143-E145 PolarHBondContact O-N 2.83Å; K143-E145 VanDerWaalsContact O-N 3.12Å; K143-N146 WeakPolarHBondContact CE-ND2 3.49Å; K143-N146 HydrophobicContact CG-CB 4.18Å; K143-N146 PolarHBondContact O-N 2.83Å; K143-F309 HydrophobicContact CB-CD1 3.79Å; K143-F309 HydrophobicContact CB-CE1 3.66Å; K143-L313 HydrophobicContact CB-CD1 4.08Å
144P86.6Confident92.5Very high6 Ų642.2 Ų42.24%0.03921%0.208CC..G310 helixtrans-41.3-46.8178.9-38.140.3000115.6F104 N146 L147 W302 F305F104-P144 HydrophobicContact CD2-CB 3.43Å; F104-P144 VanDerWaalsContact CD2-CB 3.43Å; F104-P144 HydrophobicContact CD2-CG 3.94Å; F104-P144 HydrophobicContact CE2-CB 3.52Å; F104-P144 HydrophobicContact CE2-CG 3.53Å; F104-P144 HydrophobicContact CZ-CG 4.32Å; P144-N146 PolarHBondContact O-N 2.99Å; P144-L147 PolarHBondContact O-N 2.9Å; P144-W302 HydrophobicContact CB-CH2 4.48Å; P144-W302 HydrophobicContact CB-CZ2 4.16Å; P144-W302 HydrophobicContact CG-CH2 4.17Å; P144-W302 HydrophobicContact CG-CZ2 4.32Å; P144-F305 HydrophobicContact CG-CE1 4.29Å
145E86.8Confident92.2Very high25 Ų2541 Ų4112%0.11722%0.224CC..G310 helixtrans-71.1-17-176.863.7-168.2-157.600114.7K143 L147 R306 R310K143-E145 HydrophobicContact CD-CG 3.5Å; K143-E145 WeakPolarHBondContact CD-OE1 3.27Å; K143-E145 VanDerWaalsContact CE-CG 3.44Å; K143-E145 WeakPolarHBondContact CE-OE1 3.44Å; K143-E145 HydrophobicContact CG-CG 3.67Å; K143-E145 IonicContact NZ-OE1 3.4Å; K143-E145 PolarHBondContact NZ-OE1 2.85Å; K143-E145 PolarHBondContact O-N 2.83Å; K143-E145 VanDerWaalsContact O-N 3.12Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-R306 IonicContact OE2-CZ 3.93Å; E145-R306 IonicContact OE2-NE 3.71Å; E145-R306 IonicContact OE2-NH2 3.46Å; E145-R306 PolarHBondContact OE2-NH2 3.26Å; E145-R310 IonicContact OE1-CZ 2.7Å; E145-R310 IonicContact OE1-NE 3.66Å; E145-R310 PolarHBondContact OE1-NE 3.32Å; E145-R310 IonicContact OE1-NH2 2.63Å; E145-R310 PolarHBondContact OE1-NH2 3.17Å; E145-R310 IonicContact OE2-CZ 2.73Å; E145-R310 IonicContact OE2-NH2 3.79Å; E145-R310 PolarHBondContact OE2-NH2 3.41Å
146N94.2Very high92.3Very high8 Ų836.5 Ų36.54%0.04321%0.209CC..G310 helixtrans-95.59.3177.5-73.5-6.5000112.4D141 K143 P144 L160 T161D141-N146 PolarHBondContact O-ND2 3.34Å; D141-N146 PolarHBondContact OD2-ND2 2.8Å; K143-N146 WeakPolarHBondContact CE-ND2 3.49Å; K143-N146 HydrophobicContact CG-CB 4.18Å; K143-N146 PolarHBondContact O-N 2.83Å; P144-N146 PolarHBondContact O-N 2.99Å; N146-L160 HydrophobicContact CB-CD1 4.29Å; N146-L160 WeakPolarHBondContact O-CA 3.35Å; N146-T161 HydrophobicContact CB-CG2 4.2Å; N146-T161 WeakPolarHBondContact O-CG2 3.46Å; N146-T161 PolarHBondContact O-N 3.12Å
147L96.2Very high92.6Very high1 Ų136.5 Ų36.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-117103.5179.5-66.3174.6000109.5L103 I125 L142 P144 E145 L158 L160 I207L103-L147 HydrophobicContact CB-CB 4.04Å; L103-L147 HydrophobicContact CD2-CB 4.2Å; L103-L147 HydrophobicContact CD2-CD1 3.81Å; L103-L147 PolarHBondContact N-O 2.7Å; I125-L147 HydrophobicContact CD1-CD1 3.62Å; I125-L147 HydrophobicContact CD1-CD2 4.41Å; I125-L147 HydrophobicContact CG1-CD1 4.11Å; I125-L147 HydrophobicContact CG1-CD2 3.96Å; I125-L147 HydrophobicContact CG2-CD2 4.46Å; L142-L147 HydrophobicContact CD1-CD2 4.1Å; L142-L147 HydrophobicContact CD1-CG 4.48Å; P144-L147 PolarHBondContact O-N 2.9Å; E145-L147 VanDerWaalsContact C-N 3.35Å; L147-L158 HydrophobicContact CB-CD1 4.2Å; L147-L160 HydrophobicContact CD2-CD1 4.1Å; L147-I207 HydrophobicContact CD1-CD1 3.94Å; L147-I207 HydrophobicContact CD1-CG2 4.32Å
148L96.8Very high92.9Very high34 Ų3436.4 Ų36.418%0.17821%0.21CC..EExtended strand (participates in β ladder)trans-118.8144.1-171.8-53.4-179.2000111.7M98 G101 E102 K159 T161M98-L148 HydrophobicContact CB-CB 3.76Å; M98-L148 HydrophobicContact CB-CD1 3.86Å; M98-L148 HydrophobicContact CB-CG 4.48Å; M98-L148 HydrophobicContact CE-CB 3.92Å; M98-L148 WeakPolarHBondContact CE-O 3.38Å; M98-L148 HydrophobicContact CG-CB 4.01Å; M98-L148 HydrophobicContact CG-CD1 4.02Å; G101-L148 CarbonylContact O-C 3.56Å; G101-L148 VanDerWaalsContact O-CA 3.23Å; G101-L148 WeakPolarHBondContact O-CA 3.44Å; E102-L148 HydrophobicContact CB-CD2 4.3Å; E102-L148 HydrophobicContact CG-CD2 3.86Å; L148-K159 PolarHBondContact N-O 3.32Å; L148-K159 PolarHBondContact O-N 2.74Å; L148-T161 HydrophobicContact CD1-CG2 3.88Å; L148-T161 HydrophobicContact CG-CG2 4.1Å
149Y97.6Very high93.1Very high22 Ų2237.7 Ų37.79%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-87141.2172.4-80-71.5000111.9M98 G100 G101 L103 K106 S151 A156 L158M98-Y149 CarbonylContact C-O 3.6Å; M98-Y149 VanDerWaalsContact CE-C 3.47Å; G100-Y149 VanDerWaalsContact CA-O 3.29Å; G100-Y149 WeakPolarHBondContact CA-O 3.28Å; G100-Y149 PolarHBondContact N-O 2.7Å; G101-Y149 PolarHBondContact O-N 3.43Å; L103-Y149 HydrophobicContact CB-CE2 4.44Å; L103-Y149 HydrophobicContact CD1-CE2 3.61Å; L103-Y149 WeakPolarHBondContact CD1-OH 3.48Å; K106-Y149 HydrophobicContact CB-CD2 4.04Å; K106-Y149 HydrophobicContact CB-CE2 3.97Å; K106-Y149 HydrophobicContact CD-CD2 3.47Å; K106-Y149 VanDerWaalsContact CD-CD2 3.47Å; K106-Y149 HydrophobicContact CD-CE2 3.61Å; K106-Y149 HydrophobicContact CD-CG 3.99Å; K106-Y149 HydrophobicContact CG-CD2 4.35Å; K106-Y149 HydrophobicContact CG-CE2 4.26Å; Y149-S151 VanDerWaalsContact C-N 3.33Å; Y149-S151 PolarHBondContact O-N 3.42Å; Y149-A156 HydrophobicContact CD1-CB 3.96Å; Y149-A156 VanDerWaalsContact CD1-O 3.31Å; Y149-A156 WeakPolarHBondContact CD1-O 3.27Å; Y149-A156 WeakPolarHBondContact CE1-O 3.34Å; Y149-L158 HydrophobicContact CD1-CB 4.23Å; Y149-L158 HydrophobicContact CD1-CD1 4.18Å; Y149-L158 HydrophobicContact CD2-CD1 4.15Å; Y149-L158 HydrophobicContact CE1-CB 3.91Å; Y149-L158 HydrophobicContact CE1-CD1 4.09Å; Y149-L158 HydrophobicContact CE2-CD1 4.06Å; Y149-L158 HydrophobicContact CG-CD1 4.22Å
150T97Very high93.3Very high33 Ų3337.8 Ų37.820%0.20222%0.217CC..SBendtrans-62.3-37.4176.742.10000112.8M98 R99 V157 K159M98-T150 HydrophobicContact CE-CG2 3.84Å; M98-T150 HydrophobicContact SD-CG2 4.21Å; R99-T150 PolarHBondContact N-O 2.84Å; T150-V157 HydrophobicContact CG2-CB 4.19Å; T150-V157 PolarHBondContact N-O 3.28Å; T150-V157 PolarHBondContact OG1-N 3.28Å; T150-V157 PolarHBondContact OG1-O 3.07Å; T150-V157 VanDerWaalsContact OG1-O 3.1Å; T150-K159 HydrophobicContact CG2-CD 3.82Å; T150-K159 VanDerWaalsContact CG2-CE 3.45Å; T150-K159 HydrophobicContact CG2-CG 4.22Å
151S95.7Very high93.5Very high21 Ų2137.5 Ų37.515%0.14722%0.218CC..  trans-151.1172.1179.371.50000112.4G100 K106 Y149 E153 A156G100-S151 VanDerWaalsContact CA-C 3.46Å; G100-S151 WeakPolarHBondContact CA-O 3.31Å; K106-S151 PolarHBondContact NZ-O 2.93Å; Y149-S151 VanDerWaalsContact C-N 3.33Å; Y149-S151 PolarHBondContact O-N 3.42Å; S151-E153 WeakPolarHBondContact OG-CB 3.43Å; S151-E153 PolarHBondContact OG-N 3.03Å; S151-E153 PolarHBondContact OG-OE2 2.96Å; S151-A156 WeakPolarHBondContact O-CB 3.34Å
152N91.6Very high93.5Very high122 Ų12238 Ų3865%0.65222%0.221SC*.SBendtrans-78.2-8.3172.9-69.6-28.5000112.9G100 K106G100-N152 WeakPolarHBondContact CA-OD1 3.29Å; K106-N152 PolarHBondContact NZ-O 3.06Å
153E91.8Very high93.5Very high143 Ų14338 Ų3867%0.66822%0.221SC*.SBendtrans-67.2158-176-61.8166.8172.500112.1K106 S151 A156K106-E153 PolarHBondContact NZ-O 3.44Å; S151-E153 WeakPolarHBondContact OG-CB 3.43Å; S151-E153 PolarHBondContact OG-N 3.03Å; S151-E153 PolarHBondContact OG-OE2 2.96Å; E153-A156 WeakPolarHBondContact O-CB 3.42Å; E153-A156 PolarHBondContact O-N 3.3Å
154N86.2Confident93.6Very high165 Ų16538 Ų3888%0.88222%0.222SC*.THydrogen-bonded Turntrans-66.6133170.3-71.9-18.9000109.3A156N154-A156 VanDerWaalsContact C-N 3.33Å
155G88.4Confident93.7Very high79 Ų7938.8 Ų38.881%0.81423%0.225SC*.THydrogen-bonded Turntrans818.4-175.500000114.9V157G155-V157 PolarHBondContact O-N 2.99Å
156A94.7Very high93.9Very high12 Ų1238 Ų3810%0.09922%0.222CC..PPolyproline II helixtrans-52.4135.9172.700000111.8Y149 S151 E153 N154Y149-A156 HydrophobicContact CD1-CB 3.96Å; Y149-A156 VanDerWaalsContact CD1-O 3.31Å; Y149-A156 WeakPolarHBondContact CD1-O 3.27Å; Y149-A156 WeakPolarHBondContact CE1-O 3.34Å; S151-A156 WeakPolarHBondContact O-CB 3.34Å; E153-A156 WeakPolarHBondContact O-CB 3.42Å; E153-A156 PolarHBondContact O-N 3.3Å; N154-A156 VanDerWaalsContact C-N 3.33Å
157V97.1Very high93.5Very high54 Ų5439.1 Ų39.133%0.32723%0.227SC..PPolyproline II helixtrans-75.1133.4-179.6-179.10000109.9T150 G155 K159T150-V157 HydrophobicContact CG2-CB 4.19Å; T150-V157 PolarHBondContact N-O 3.28Å; T150-V157 PolarHBondContact OG1-N 3.28Å; T150-V157 PolarHBondContact OG1-O 3.07Å; T150-V157 VanDerWaalsContact OG1-O 3.1Å; G155-V157 PolarHBondContact O-N 2.99Å; V157-K159 HydrophobicContact CG1-CG 4.18Å
158L98Very high93.1Very high3 Ų341.8 Ų41.82%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-85.8133.6171.9-173.170.7000109.9H71 L103 I121 Q124 I125 L147 Y149H71-L158 PolarHBondContact ND1-O 2.87Å; H71-L158 VanDerWaalsContact ND1-O 3.15Å; L103-L158 HydrophobicContact CB-CD1 4.03Å; L103-L158 HydrophobicContact CD1-CD1 4.19Å; L103-L158 HydrophobicContact CD1-CD2 4.29Å; L103-L158 HydrophobicContact CD2-CD2 4.14Å; I121-L158 HydrophobicContact CG2-CD2 3.86Å; Q124-L158 HydrophobicContact CB-CB 4.43Å; I125-L158 HydrophobicContact CD1-CD2 4.16Å; I125-L158 HydrophobicContact CG1-CD2 3.75Å; L147-L158 HydrophobicContact CB-CD1 4.2Å; Y149-L158 HydrophobicContact CD1-CB 4.23Å; Y149-L158 HydrophobicContact CD1-CD1 4.18Å; Y149-L158 HydrophobicContact CD2-CD1 4.15Å; Y149-L158 HydrophobicContact CE1-CB 3.91Å; Y149-L158 HydrophobicContact CE1-CD1 4.09Å; Y149-L158 HydrophobicContact CE2-CD1 4.06Å; Y149-L158 HydrophobicContact CG-CD1 4.22Å
159K98.5Very high92.2Very high28 Ų2840.3 Ų40.312%0.12223%0.232CC..EExtended strand (participates in β ladder)trans-131.8144.4179.9-55.1-173172.6-175.10112.6P70 H71 V73 E96 M98 L148 T150 V157P70-K159 WeakPolarHBondContact O-CE 3.43Å; H71-K159 CarbonylContact O-C 3.55Å; H71-K159 WeakPolarHBondContact O-CA 3.33Å; V73-K159 HydrophobicContact CG2-CB 3.94Å; E96-K159 VanDerWaalsContact OE1-CD 3.29Å; E96-K159 WeakPolarHBondContact OE1-CD 3.38Å; E96-K159 IonicContact OE1-NZ 2.68Å; E96-K159 PolarHBondContact OE1-NZ 3.1Å; E96-K159 IonicContact OE2-NZ 3.77Å; E96-K159 PolarHBondContact OE2-NZ 3.16Å; M98-K159 HydrophobicContact CE-CB 3.68Å; M98-K159 HydrophobicContact CE-CD 3.93Å; M98-K159 HydrophobicContact CE-CG 3.87Å; M98-K159 HydrophobicContact SD-CD 4.16Å; L148-K159 PolarHBondContact N-O 3.32Å; L148-K159 PolarHBondContact O-N 2.74Å; T150-K159 HydrophobicContact CG2-CD 3.82Å; T150-K159 VanDerWaalsContact CG2-CE 3.45Å; T150-K159 HydrophobicContact CG2-CG 4.22Å; V157-K159 HydrophobicContact CG1-CG 4.18Å
160L98Very high90.7Very high3 Ų343.5 Ų43.52%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-81.4134.8172-178.161000110.6H71 V73 A128 L132 H139 L142 N146 L147H71-L160 PolarHBondContact O-N 2.88Å; V73-L160 PolarHBondContact N-O 3.37Å; A128-L160 HydrophobicContact CB-CB 4.19Å; A128-L160 HydrophobicContact CB-CD2 4.33Å; L132-L160 HydrophobicContact CD1-CD2 3.99Å; H139-L160 HydrophobicContact CB-CD2 4.41Å; L142-L160 HydrophobicContact CD1-CD1 3.68Å; N146-L160 HydrophobicContact CB-CD1 4.29Å; N146-L160 WeakPolarHBondContact O-CA 3.35Å; L147-L160 HydrophobicContact CD2-CD1 4.1Å
161T95.1Very high88.5Confident22 Ų2244.8 Ų44.814%0.13526%0.257CS..  trans-126.2175.5176.8-166.10000112H139 N146 L148H139-T161 PolarHBondContact NE2-O 3.1Å; H139-T161 VanDerWaalsContact NE2-O 3.12Å; N146-T161 HydrophobicContact CB-CG2 4.2Å; N146-T161 WeakPolarHBondContact O-CG2 3.46Å; N146-T161 PolarHBondContact O-N 3.12Å; L148-T161 HydrophobicContact CD1-CG2 3.88Å; L148-T161 HydrophobicContact CG-CG2 4.1Å
162D91.9Very high86.1Confident12 Ų1252.2 Ų52.26%0.06429%0.287CS..  trans62.786.1174.4-164.35.4000116.4K48 H139 G164K48-D162 IonicContact NZ-OD1 2.8Å; K48-D162 PolarHBondContact NZ-OD1 2.97Å; H139-D162 PolarHBondContact CE1-O 3.49Å; H139-D162 VanDerWaalsContact CE1-O 3.29Å; H139-D162 PolarHBondContact NE2-O 3.09Å; D162-G164 VanDerWaalsContact C-N 3.28Å; D162-G164 PolarHBondContact O-N 3.4Å; D162-G164 PolarHBondContact OD1-N 2.79Å
163F93.4Very high83.7Confident0 Ų054.6 Ų54.60%029%0.292CS..  trans-87.615.6179.4-72.3-98.6000113.8E59 I62 H63 V66 I72 L132 H139 F165 A166E59-F163 HydrophobicContact CG-CB 4.14Å; I62-F163 HydrophobicContact CG2-CD1 3.81Å; I62-F163 HydrophobicContact CG2-CE1 4.49Å; H63-F163 HydrophobicContact CB-CB 4.12Å; H63-F163 HydrophobicContact CB-CD2 3.95Å; H63-F163 HydrophobicContact CB-CG 3.98Å; H63-F163 AromaticContact CD2-CD2 3.48Å; H63-F163 VanDerWaalsContact CD2-CD2 3.48Å; H63-F163 WeakPolarHBondContact CD2-CD2 3.35Å; H63-F163 AromaticContact CD2-CE2 3.45Å; H63-F163 VanDerWaalsContact CD2-CE2 3.45Å; H63-F163 WeakPolarHBondContact CD2-CE2 3.45Å; H63-F163 AromaticContact CE1-CD2 3.83Å; H63-F163 AromaticContact CG-CD2 3.42Å; H63-F163 VanDerWaalsContact CG-CD2 3.42Å; H63-F163 AromaticContact CG-CE2 3.91Å; H63-F163 AromaticContact CG-CG 3.97Å; H63-F163 AromaticContact ND1-CD2 3.64Å; H63-F163 AromaticContact NE2-CD2 3.74Å; H63-F163 AromaticContact NE2-CE2 3.6Å; V66-F163 HydrophobicContact CG2-CD1 4.42Å; V66-F163 HydrophobicContact CG2-CE1 3.7Å; V66-F163 HydrophobicContact CG2-CZ 3.81Å; I72-F163 HydrophobicContact CD1-CZ 4.19Å; I72-F163 HydrophobicContact CG1-CZ 4.4Å; I72-F163 HydrophobicContact CG2-CE2 3.66Å; I72-F163 HydrophobicContact CG2-CZ 3.53Å; L132-F163 HydrophobicContact CD1-CE1 4.08Å; L132-F163 HydrophobicContact CD2-CE1 3.78Å; L132-F163 HydrophobicContact CD2-CZ 4.35Å; H139-F163 AromaticContact CD2-CE1 3.95Å; F163-F165 PolarHBondContact O-N 2.8Å; F163-A166 HydrophobicContact CB-CB 3.9Å; F163-A166 HydrophobicContact CD1-CB 3.62Å; F163-A166 HydrophobicContact CG-CB 4.23Å; F163-A166 VanDerWaalsContact O-CB 3.3Å; F163-A166 WeakPolarHBondContact O-CB 3.38Å; F163-A166 PolarHBondContact O-N 2.7Å
164G89.7Confident81.1Confident5 Ų552.5 Ų52.55%0.05229%0.293CS..THydrogen-bonded Turntrans-62.2-18.2-175.200000115.8K55 E59 D162K55-G164 VanDerWaalsContact CE-O 3.3Å; K55-G164 WeakPolarHBondContact CE-O 3.38Å; E59-G164 VanDerWaalsContact CD-CA 3.4Å; E59-G164 VanDerWaalsContact OE2-CA 3.31Å; E59-G164 WeakPolarHBondContact OE2-CA 3.35Å; D162-G164 VanDerWaalsContact C-N 3.28Å; D162-G164 PolarHBondContact O-N 3.4Å; D162-G164 PolarHBondContact OD1-N 2.79Å
165F88.2Confident78.8Confident22 Ų2248.3 Ų48.310%0.09627%0.27CS..THydrogen-bonded Turntrans-112-2.9172.7-64.7-81.6000113.5I29 H139 R140 D141 F163 R317I29-F165 HydrophobicContact CB-CE2 4.38Å; I29-F165 HydrophobicContact CD1-CE2 3.83Å; I29-F165 HydrophobicContact CD1-CZ 4.15Å; I29-F165 HydrophobicContact CG2-CE2 4.27Å; I29-F165 HydrophobicContact CG2-CZ 4Å; H139-F165 CarbonylContact O-C 3.59Å; R140-F165 HydrophobicContact CB-CB 4.46Å; R140-F165 VanDerWaalsContact CZ-O 3.27Å; R140-F165 PolarHBondContact NE-O 2.83Å; R140-F165 PolarHBondContact NH2-O 3.46Å; D141-F165 HydrophobicContact CB-CB 4.08Å; D141-F165 HydrophobicContact CB-CD2 3.68Å; D141-F165 HydrophobicContact CB-CG 4.22Å; D141-F165 WeakPolarHBondContact OD2-CD2 3.43Å; F163-F165 PolarHBondContact O-N 2.8Å; F165-R317 VanDerWaalsContact CD2-NH1 3.3Å; F165-R317 VanDerWaalsContact CE2-NH1 3.27Å
166A91.1Very high76.4Confident8 Ų854.2 Ų54.27%0.06628%0.277CS..  trans-64.1144.3-178.300000110.4I62 I137 A138 H139 F163I62-A166 HydrophobicContact CD1-CB 4.37Å; I62-A166 HydrophobicContact CG2-CB 3.98Å; I137-A166 HydrophobicContact CG2-CB 4.4Å; A138-A166 VanDerWaalsContact O-CA 3.24Å; A138-A166 WeakPolarHBondContact O-CA 3.2Å; H139-A166 WeakPolarHBondContact O-CA 3.39Å; H139-A166 PolarHBondContact O-N 3.14Å; F163-A166 HydrophobicContact CB-CB 3.9Å; F163-A166 HydrophobicContact CD1-CB 3.62Å; F163-A166 HydrophobicContact CG-CB 4.23Å; F163-A166 VanDerWaalsContact O-CB 3.3Å; F163-A166 WeakPolarHBondContact O-CB 3.38Å; F163-A166 PolarHBondContact O-N 2.7Å
167K87.5Confident73.4Confident32 Ų3257.8 Ų57.814%0.13930%0.297CS..EExtended strand (participates in β ladder)trans-147.9142.2-177.2-165.4-170.8166.2-170.50110.1I137 A138 V169I137-K167 WeakPolarHBondContact CA-O 3.1Å; A138-K167 PolarHBondContact N-O 3.01Å; A138-K167 PolarHBondContact O-N 3.47Å; K167-V169 PolarHBondContact O-N 2.76Å
168E86.9Confident70.2Confident57 Ų5761.3 Ų61.327%0.26632%0.321SS..EExtended strand (participates in β ladder)trans-63.4121.4161.5-72.4175.9-168.800109.5R65 N136 I137 K173R65-E168 IonicContact CZ-OE1 2.81Å; R65-E168 IonicContact NH1-OE1 2.7Å; R65-E168 PolarHBondContact NH1-OE1 2.85Å; R65-E168 IonicContact NH2-OE1 3.43Å; R65-E168 PolarHBondContact NH2-OE1 2.94Å; N136-E168 CarbonylContact O-C 3.6Å; N136-E168 WeakPolarHBondContact O-CA 3.24Å; I137-E168 HydrophobicContact CG1-CG 4.44Å; E168-K173 IonicContact OE2-NZ 2.7Å
169V77.8Confident67Low4 Ų465.8 Ų65.82%0.02435%0.351CS..  trans-76.2118.5170.8176.70000106.6N136 A138 K167 T171 E193 D196 K197N136-V169 HydrophobicContact CB-CB 4.4Å; N136-V169 WeakPolarHBondContact O-CB 3.5Å; N136-V169 PolarHBondContact O-N 3.1Å; A138-V169 HydrophobicContact CB-CG2 3.7Å; K167-V169 PolarHBondContact O-N 2.76Å; V169-T171 PolarHBondContact O-N 2.9Å; V169-T171 VanDerWaalsContact O-N 3.1Å; V169-E193 HydrophobicContact CG1-CB 3.23Å; V169-E193 HydrophobicContact CG1-CG 3.28Å; V169-D196 HydrophobicContact CG2-CB 3.95Å; V169-K197 HydrophobicContact CG2-CG 4.31Å
170I65.3Low63.8Low89 Ų8971.7 Ų71.746%0.45637%0.374SS..SBendtrans-70.9107.9-158.7-59.8170.6000111.4
171T52.2Low60.8Low59 Ų5975 Ų7536%0.36240%0.395SS..SBendtrans-119-2.8158.40.80000113.9N136 V169 E193N136-T171 PolarHBondContact ND2-OG1 3.5Å; N136-T171 VanDerWaalsContact ND2-OG1 3.12Å; V169-T171 PolarHBondContact O-N 2.9Å; V169-T171 VanDerWaalsContact O-N 3.1Å; T171-E193 PolarHBondContact N-OE1 2.83Å; T171-E193 PolarHBondContact OG1-OE1 3.19Å; T171-E193 VanDerWaalsContact OG1-OE1 3.1Å
172K44.5Very low58.4Low178 Ų17879.2 Ų79.277%0.77442%0.422SS*.SBendtrans-139.9-14.2-164.3-81.7-172.9174.4-179.30121
173K41.5Very low56.2Low171 Ų17188.2 Ų88.274%0.74346%0.457SS*.THydrogen-bonded Turntrans-93.36.2-171.8-79.3-176.5177.9168.90117.2E168E168-K173 IonicContact OE2-NZ 2.7Å
174S36.7Very low54.1Low99 Ų9995.7 Ų95.769%0.69249%0.486SS*.THydrogen-bonded Turntrans-11913.4166.384.80000114.2
175L37.6Very low52.2Low77 Ų7798 Ų9840%0.40350%0.499SS..  trans-125.747.3-168.8-67.6169000112.4T177 Y180L175-T177 PolarHBondContact O-N 2.93Å; L175-Y180 HydrophobicContact CD2-CD2 3.63Å; L175-Y180 HydrophobicContact CD2-CE2 4Å; L175-Y180 HydrophobicContact CD2-CG 4.26Å
176Q38.5Very low50.5Low204 Ų20499.4 Ų99.495%0.95351%0.511SS*.  trans-66.25.2167-84.1-169.2-21.600113.4
177T33Very low48.9Very low87 Ų87103.2 Ų103.253%0.53453%0.534SS..SBendtrans-94.3124.3172.9-16.50000110.3L175 C179L175-T177 PolarHBondContact O-N 2.93Å; T177-C179 PolarHBondContact O-N 3.21Å
178P29.6Very low47.5Very low127 Ų127106.4 Ų106.483%0.82555%0.55SS*.SBendtrans-71.618.9-168.5-1630.3000117.6
179C29.8Very low46Very low97 Ų97106.3 Ų106.366%0.65555%0.551SS**  trans-120.712.1-154.4-53.10000117.1T177T177-C179 PolarHBondContact O-N 3.21Å
180Y31.3Very low45.1Very low152 Ų152109.6 Ų109.660%0.59657%0.568SS**  trans-101.9112.2-171.9-83.1-79.9000115.6L175 Y184L175-Y180 HydrophobicContact CD2-CD2 3.63Å; L175-Y180 HydrophobicContact CD2-CE2 4Å; L175-Y180 HydrophobicContact CD2-CG 4.26Å; Y180-Y184 HydrophobicContact CD1-CD2 4.02Å; Y180-Y184 HydrophobicContact CD1-CG 4.2Å; Y180-Y184 HydrophobicContact CE1-CD2 4.31Å; Y180-Y184 HydrophobicContact CE1-CG 4.15Å
181T35Very low45Very low74 Ų74109.1 Ų109.145%0.45457%0.566SS.*  trans-70.8143.8160.9-37.40000109.5Y183T181-Y183 HydrophobicContact CG2-CD2 3.53Å; T181-Y183 HydrophobicContact CG2-CE2 3.75Å; T181-Y183 PolarHBondContact O-N 3.32Å
182P45.4Very low45.7Very low110 Ų110110 Ų11071%0.71457%0.565SS**G310 helixtrans-53.3-13.8-173.8-29.333.9000117.7Y184P182-Y184 VanDerWaalsContact C-N 3.3Å; P182-Y184 PolarHBondContact O-N 3.19Å
183Y44.6Very low46.8Very low200 Ų200102.9 Ų102.978%0.78454%0.535SS*.G310 helixtrans-74.6-9.1-172.8-59.4-73.8000115.5T181T181-Y183 HydrophobicContact CG2-CD2 3.53Å; T181-Y183 HydrophobicContact CG2-CE2 3.75Å; T181-Y183 PolarHBondContact O-N 3.32Å
184Y49.3Very low48.3Very low157 Ų157102 Ų10262%0.61653%0.526SS*.G310 helixtrans-112.79.3-171.2-56.6-78.3000115Y180 P182 P186Y180-Y184 HydrophobicContact CD1-CD2 4.02Å; Y180-Y184 HydrophobicContact CD1-CG 4.2Å; Y180-Y184 HydrophobicContact CE1-CD2 4.31Å; Y180-Y184 HydrophobicContact CE1-CG 4.15Å; P182-Y184 VanDerWaalsContact C-N 3.3Å; P182-Y184 PolarHBondContact O-N 3.19Å; Y184-P186 VanDerWaalsContact O-CD 3.3Å; Y184-P186 WeakPolarHBondContact O-CD 3.3Å
185V50.9Low50.2Low54 Ų5499.7 Ų99.733%0.32750%0.503SS..  trans-72.8122.1177.9-173.70000109.1I189 L190V185-I189 HydrophobicContact CG1-CB 3.96Å; V185-I189 HydrophobicContact CG1-CG2 4.05Å; V185-L190 HydrophobicContact CB-CD1 4.27Å; V185-L190 HydrophobicContact CB-CD2 4.13Å; V185-L190 HydrophobicContact CB-CG 4.08Å; V185-L190 HydrophobicContact CG1-CD1 4.42Å; V185-L190 HydrophobicContact CG1-CD2 3.81Å; V185-L190 HydrophobicContact CG1-CG 3.72Å
186P51.7Low52.4Low52 Ų5296.3 Ų96.334%0.33849%0.485SS..  trans-56.8139.8176.7-24.833.8000112Y184 E188 I189 L190Y184-P186 VanDerWaalsContact O-CD 3.3Å; Y184-P186 WeakPolarHBondContact O-CD 3.3Å; P186-E188 HydrophobicContact CB-CG 4.39Å; P186-E188 WeakPolarHBondContact CB-OE1 3.49Å; P186-E188 VanDerWaalsContact CB-OE2 3.23Å; P186-E188 WeakPolarHBondContact CB-OE2 3.38Å; P186-E188 PolarHBondContact O-N 2.95Å; P186-I189 HydrophobicContact CB-CG1 4.38Å; P186-I189 HydrophobicContact CG-CD1 4.21Å; P186-I189 PolarHBondContact O-N 3.04Å; P186-L190 PolarHBondContact O-N 2.63Å
187P57.2Low54.9Low87 Ų8788.7 Ų88.757%0.56545%0.449SS*.Hα-helixtrans-59.4-31.8-173.723.8-34.2000112.9I189 L190 N191P187-I189 VanDerWaalsContact C-N 3.31Å; P187-I189 PolarHBondContact O-N 3.34Å; P187-L190 PolarHBondContact O-N 2.78Å; P187-N191 VanDerWaalsContact O-CB 3.25Å; P187-N191 WeakPolarHBondContact O-CB 3.28Å; P187-N191 PolarHBondContact O-N 2.8Å; P187-N191 PolarHBondContact O-ND2 2.91Å; P187-N191 PolarHBondContact O-OD1 3.33Å
188E58.5Low57.7Low99 Ų9985 Ų8546%0.46343%0.427SS..Hα-helixtrans-62.4-36.4176.266.3-82.7-162.600112.7P186 N191 F192P186-E188 HydrophobicContact CB-CG 4.39Å; P186-E188 WeakPolarHBondContact CB-OE1 3.49Å; P186-E188 VanDerWaalsContact CB-OE2 3.23Å; P186-E188 WeakPolarHBondContact CB-OE2 3.38Å; P186-E188 PolarHBondContact O-N 2.95Å; E188-N191 PolarHBondContact O-N 3.49Å; E188-F192 HydrophobicContact CB-CE2 4.22Å; E188-F192 HydrophobicContact CG-CE2 4.45Å; E188-F192 WeakPolarHBondContact O-CD2 3.33Å; E188-F192 WeakPolarHBondContact O-CE2 3.5Å; E188-F192 VanDerWaalsContact O-CG 3.24Å; E188-F192 WeakPolarHBondContact O-CG 3.37Å; E188-F192 PolarHBondContact O-N 3.31Å
189I55.4Low60.6Low55 Ų5579.1 Ų79.128%0.28239%0.389SS..Hα-helixtrans-69.1-48.2177.5-58-173.9000109.4V185 P186 P187 N191 F192 E193V185-I189 HydrophobicContact CG1-CB 3.96Å; V185-I189 HydrophobicContact CG1-CG2 4.05Å; P186-I189 HydrophobicContact CB-CG1 4.38Å; P186-I189 HydrophobicContact CG-CD1 4.21Å; P186-I189 PolarHBondContact O-N 3.04Å; P187-I189 VanDerWaalsContact C-N 3.31Å; P187-I189 PolarHBondContact O-N 3.34Å; I189-N191 VanDerWaalsContact C-N 3.26Å; I189-N191 PolarHBondContact O-N 3.28Å; I189-F192 PolarHBondContact O-N 3.39Å; I189-F192 VanDerWaalsContact O-N 3.12Å; I189-E193 WeakPolarHBondContact O-CG 3.32Å; I189-E193 PolarHBondContact O-N 3.47Å
190L59.1Low63.7Low74 Ų7474.5 Ų74.539%0.38736%0.357SS..Hα-helixtrans-59-39.2175-65.6174000111.8V185 P186 P187 E193 R194V185-L190 HydrophobicContact CB-CD1 4.27Å; V185-L190 HydrophobicContact CB-CD2 4.13Å; V185-L190 HydrophobicContact CB-CG 4.08Å; V185-L190 HydrophobicContact CG1-CD1 4.42Å; V185-L190 HydrophobicContact CG1-CD2 3.81Å; V185-L190 HydrophobicContact CG1-CG 3.72Å; P186-L190 PolarHBondContact O-N 2.63Å; P187-L190 PolarHBondContact O-N 2.78Å; L190-E193 PolarHBondContact O-N 3.36Å; L190-R194 PolarHBondContact O-N 3.33Å
191N62.7Low66.8Low79 Ų7967.4 Ų67.442%0.42233%0.33SS..Hα-helixtrans-66.8-37176.7-71.9-14.4000111.7P187 E188 I189 E193 Y195P187-N191 VanDerWaalsContact O-CB 3.25Å; P187-N191 WeakPolarHBondContact O-CB 3.28Å; P187-N191 PolarHBondContact O-N 2.8Å; P187-N191 PolarHBondContact O-ND2 2.91Å; P187-N191 PolarHBondContact O-OD1 3.33Å; E188-N191 PolarHBondContact O-N 3.49Å; I189-N191 VanDerWaalsContact C-N 3.26Å; I189-N191 PolarHBondContact O-N 3.28Å; N191-E193 VanDerWaalsContact C-N 3.34Å; N191-Y195 WeakPolarHBondContact O-CB 3.33Å; N191-Y195 PolarHBondContact O-N 2.93Å
192F68.5Low69.5Low76 Ų7664 Ų6433%0.33331%0.309SS..Hα-helixtrans-64.9-40.8172.3-64.7-49.3000111.5E188 I189 Y195 D196 K318 H320E188-F192 HydrophobicContact CB-CE2 4.22Å; E188-F192 HydrophobicContact CG-CE2 4.45Å; E188-F192 WeakPolarHBondContact O-CD2 3.33Å; E188-F192 WeakPolarHBondContact O-CE2 3.5Å; E188-F192 VanDerWaalsContact O-CG 3.24Å; E188-F192 WeakPolarHBondContact O-CG 3.37Å; E188-F192 PolarHBondContact O-N 3.31Å; I189-F192 PolarHBondContact O-N 3.39Å; I189-F192 VanDerWaalsContact O-N 3.12Å; F192-Y195 PolarHBondContact O-N 2.69Å; F192-D196 PolarHBondContact O-N 2.83Å; F192-K318 HydrophobicContact CD1-CD 4.23Å; F192-K318 HydrophobicContact CE1-CD 4.1Å; F192-H320 AromaticContact CD1-CE1 3.45Å; F192-H320 VanDerWaalsContact CD1-CE1 3.45Å; F192-H320 WeakPolarHBondContact CD1-CE1 3.45Å; F192-H320 AromaticContact CD1-NE2 3.86Å; F192-H320 AromaticContact CE1-CE1 3.5Å; F192-H320 VanDerWaalsContact CE1-CE1 3.5Å; F192-H320 WeakPolarHBondContact CE1-CE1 3.49Å
193E66.7Low71.8Confident30 Ų3058.8 Ų58.814%0.1428%0.275CS..Hα-helixtrans-62.3-47.4178.6-61-156.6134.100112.6V169 T171 I189 L190 N191 Y195 K197V169-E193 HydrophobicContact CG1-CB 3.23Å; V169-E193 HydrophobicContact CG1-CG 3.28Å; T171-E193 PolarHBondContact N-OE1 2.83Å; T171-E193 PolarHBondContact OG1-OE1 3.19Å; T171-E193 VanDerWaalsContact OG1-OE1 3.1Å; I189-E193 WeakPolarHBondContact O-CG 3.32Å; I189-E193 PolarHBondContact O-N 3.47Å; L190-E193 PolarHBondContact O-N 3.36Å; N191-E193 VanDerWaalsContact C-N 3.34Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; E193-K197 PolarHBondContact O-N 2.88Å
194R72.1Confident74.3Confident151 Ų15149.2 Ų49.257%0.5724%0.237SC*.Hα-helixtrans-62.9-41.3175.1-73.3-171.8173.1-148.9-0.9111.3L190 S198 D266L190-R194 PolarHBondContact O-N 3.33Å; R194-S198 WeakPolarHBondContact O-CB 3.21Å; R194-S198 PolarHBondContact O-N 2.98Å; R194-S198 PolarHBondContact O-OG 2.82Å; R194-D266 WeakPolarHBondContact CB-OD1 3.45Å
195Y78.2Confident76.5Confident52 Ų5241.8 Ų41.820%0.20421%0.208CC..Hα-helixtrans-63-50.6-179.4-170.2-93.2000112.6N191 F192 E193 K197 S198 C199 P265 K316 K318N191-Y195 WeakPolarHBondContact O-CB 3.33Å; N191-Y195 PolarHBondContact O-N 2.93Å; F192-Y195 PolarHBondContact O-N 2.69Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; Y195-K197 PolarHBondContact O-N 3.21Å; Y195-S198 WeakPolarHBondContact CA-OG 3.46Å; Y195-S198 PolarHBondContact O-N 3.43Å; Y195-S198 PolarHBondContact O-OG 3.01Å; Y195-C199 PolarHBondContact O-N 3.13Å; Y195-P265 HydrophobicContact CD2-CB 4.04Å; Y195-P265 HydrophobicContact CD2-CG 3.81Å; Y195-P265 HydrophobicContact CE2-CG 3.87Å; Y195-K316 WeakPolarHBondContact CE1-O 3.41Å; Y195-K316 PolarHBondContact OH-O 2.95Å; Y195-K318 HydrophobicContact CD1-CD 4.23Å; Y195-K318 HydrophobicContact CD1-CG 4.21Å; Y195-K318 HydrophobicContact CE1-CB 4.38Å; Y195-K318 HydrophobicContact CE1-CD 4.17Å; Y195-K318 HydrophobicContact CE1-CG 3.75Å
196D84Confident78.5Confident6 Ų639.3 Ų39.33%0.03219%0.193CC..Hα-helixtrans-60.5-47.2179.9-86.8-28.4000111A138 R140 V169 F192 C199A138-D196 HydrophobicContact CB-CB 3.85Å; R140-D196 WeakPolarHBondContact CD-OD1 3.35Å; R140-D196 IonicContact NE-OD1 3.05Å; R140-D196 IonicContact NH1-OD1 2.9Å; R140-D196 PolarHBondContact NH1-OD1 3.23Å; R140-D196 IonicContact NH1-OD2 3.21Å; V169-D196 HydrophobicContact CG2-CB 3.95Å; F192-D196 PolarHBondContact O-N 2.83Å; D196-C199 WeakPolarHBondContact O-CB 3.47Å; D196-C199 PolarHBondContact O-N 2.75Å
197K90.9Very high80.5Confident43 Ų4336.8 Ų36.819%0.18718%0.177CC..Hα-helixtrans-65.3-40.4177.3-70-176.3-175.8-179.70112.3H133 N136 V169 E193 Y195 C199 D200 I201H133-K197 HydrophobicContact CB-CD 4.22Å; H133-K197 VanDerWaalsContact CE1-CB 3.5Å; H133-K197 WeakPolarHBondContact CE1-CB 3.5Å; H133-K197 PolarHBondContact CE1-O 3.49Å; H133-K197 VanDerWaalsContact CE1-O 3.29Å; H133-K197 PolarHBondContact O-NZ 3.47Å; N136-K197 PolarHBondContact OD1-NZ 3.35Å; V169-K197 HydrophobicContact CG2-CG 4.31Å; E193-K197 PolarHBondContact O-N 2.88Å; Y195-K197 PolarHBondContact O-N 3.21Å; K197-C199 PolarHBondContact O-N 3.16Å; K197-D200 WeakPolarHBondContact O-CB 3.45Å; K197-D200 PolarHBondContact O-N 3.37Å; K197-D200 VanDerWaalsContact O-N 3.13Å; K197-I201 PolarHBondContact O-N 2.81Å
198S90.6Very high82.3Confident9 Ų932.7 Ų32.76%0.06315%0.15CC..Hα-helixtrans-64.5-20.5179.4770000113.6R194 Y195 I201 W202 P265 R268R194-S198 WeakPolarHBondContact O-CB 3.21Å; R194-S198 PolarHBondContact O-N 2.98Å; R194-S198 PolarHBondContact O-OG 2.82Å; Y195-S198 WeakPolarHBondContact CA-OG 3.46Å; Y195-S198 PolarHBondContact O-N 3.43Å; Y195-S198 PolarHBondContact O-OG 3.01Å; S198-I201 PolarHBondContact O-N 3.21Å; S198-W202 PolarHBondContact O-N 2.96Å; S198-P265 WeakPolarHBondContact OG-CB 3.47Å; S198-R268 PolarHBondContact O-NH1 3.44Å; S198-R268 PolarHBondContact OG-NH1 2.84Å
199C90.4Very high84Confident4 Ų428.5 Ų28.53%0.02713%0.13CC..Hα-helixtrans-67.2-40.9174.7-170.10000110.8Y195 D196 K197 I201 W202 S203Y195-C199 PolarHBondContact O-N 3.13Å; D196-C199 WeakPolarHBondContact O-CB 3.47Å; D196-C199 PolarHBondContact O-N 2.75Å; K197-C199 PolarHBondContact O-N 3.16Å; C199-I201 VanDerWaalsContact C-N 3.34Å; C199-W202 PolarHBondContact O-N 3.29Å; C199-S203 WeakPolarHBondContact O-CB 3.48Å; C199-S203 PolarHBondContact O-N 3.13Å; C199-S203 PolarHBondContact O-OG 3.11Å
200D94.6Very high85.6Confident0 Ų025.9 Ų25.90%012%0.117CC..Hα-helixtrans-64.5-40.5174-62.9-29.1000110.8I129 H133 A138 H139 R140 K197 S203 L204I129-D200 HydrophobicContact CG2-CB 4.04Å; H133-D200 IonicContact CD2-OD2 3.39Å; H133-D200 IonicContact CE1-OD2 3.93Å; H133-D200 IonicContact NE2-OD2 3.85Å; H133-D200 PolarHBondContact NE2-OD2 3.33Å; A138-D200 WeakPolarHBondContact CA-OD2 3.46Å; H139-D200 PolarHBondContact N-OD2 3.34Å; R140-D200 WeakPolarHBondContact CA-OD1 3.43Å; R140-D200 PolarHBondContact N-OD1 3.23Å; K197-D200 WeakPolarHBondContact O-CB 3.45Å; K197-D200 PolarHBondContact O-N 3.37Å; K197-D200 VanDerWaalsContact O-N 3.13Å; D200-S203 WeakPolarHBondContact O-CB 3.5Å; D200-S203 PolarHBondContact O-N 3.19Å; D200-L204 WeakPolarHBondContact O-CB 3.1Å; D200-L204 PolarHBondContact O-N 3.47Å
201I96.1Very high87.2Confident3 Ų322.4 Ų22.42%0.01510%0.098CC..Hα-helixtrans-63-43.8177.2-54.8-57.4000111.9K197 S198 C199 S203 L204 G205 L260 R268 P269 I271K197-I201 PolarHBondContact O-N 2.81Å; S198-I201 PolarHBondContact O-N 3.21Å; C199-I201 VanDerWaalsContact C-N 3.34Å; I201-S203 VanDerWaalsContact C-N 3.32Å; I201-S203 PolarHBondContact O-N 3.39Å; I201-L204 WeakPolarHBondContact O-CB 3.36Å; I201-L204 PolarHBondContact O-N 3.18Å; I201-G205 PolarHBondContact O-N 3.04Å; I201-L260 HydrophobicContact CG2-CD2 3.46Å; I201-L260 VanDerWaalsContact CG2-CD2 3.46Å; I201-R268 HydrophobicContact CG2-CB 4.05Å; I201-P269 WeakPolarHBondContact CG1-O 3.5Å; I201-P269 HydrophobicContact CG2-CG 4.29Å; I201-P269 WeakPolarHBondContact CG2-O 3.33Å; I201-I271 HydrophobicContact CD1-CB 3.9Å; I201-I271 HydrophobicContact CD1-CD1 4.01Å
202W92.8Very high88.7Confident3 Ų318.7 Ų18.71%0.0118%0.078CC..Hα-helixtrans-60-46.5174.1175.3-85.7000111.1S198 C199 L204 G205 I206 F218 I234 L261 L262 K316S198-W202 PolarHBondContact O-N 2.96Å; C199-W202 PolarHBondContact O-N 3.29Å; W202-L204 VanDerWaalsContact C-N 3.3Å; W202-L204 PolarHBondContact O-N 3.5Å; W202-G205 WeakPolarHBondContact O-CA 3.48Å; W202-G205 PolarHBondContact O-N 3.07Å; W202-I206 HydrophobicContact CZ2-CD1 4.24Å; W202-I206 WeakPolarHBondContact O-CG1 3.16Å; W202-I206 PolarHBondContact O-N 3.33Å; W202-F218 HydrophobicContact CH2-CE2 4.11Å; W202-F218 AromaticContact CH2-CZ 3.97Å; W202-F218 HydrophobicContact CH2-CZ 3.97Å; W202-F218 AromaticContact CZ2-CE2 3.6Å; W202-F218 HydrophobicContact CZ2-CE2 3.6Å; W202-F218 AromaticContact CZ2-CZ 3.94Å; W202-F218 HydrophobicContact CZ2-CZ 3.94Å; W202-I234 HydrophobicContact CZ2-CG2 4.11Å; W202-L261 HydrophobicContact CD2-CD2 3.91Å; W202-L261 HydrophobicContact CE3-CD2 4.09Å; W202-L261 HydrophobicContact CG-CD2 4.47Å; W202-L261 HydrophobicContact CH2-CD2 4.5Å; W202-L261 HydrophobicContact CZ2-CD2 4.29Å; W202-L261 HydrophobicContact CZ3-CB 4.33Å; W202-L261 HydrophobicContact CZ3-CD2 4.39Å; W202-L261 VanDerWaalsContact CZ3-O 3.31Å; W202-L261 WeakPolarHBondContact CZ3-O 3.46Å; W202-L262 WeakPolarHBondContact CZ3-O 3.43Å; W202-K316 VanDerWaalsContact NE1-NZ 3.15Å
203S93.8Very high89.6Confident0 Ų015.1 Ų15.10%06%0.063CC..Hα-helixtrans-62-40.1-178.6-55.80000111.7L142 C199 D200 I201 G205 I206 I207 L313L142-S203 WeakPolarHBondContact O-CB 3.34Å; C199-S203 WeakPolarHBondContact O-CB 3.48Å; C199-S203 PolarHBondContact O-N 3.13Å; C199-S203 PolarHBondContact O-OG 3.11Å; D200-S203 WeakPolarHBondContact O-CB 3.5Å; D200-S203 PolarHBondContact O-N 3.19Å; I201-S203 VanDerWaalsContact C-N 3.32Å; I201-S203 PolarHBondContact O-N 3.39Å; S203-G205 VanDerWaalsContact C-N 3.33Å; S203-G205 PolarHBondContact O-N 3.46Å; S203-I206 PolarHBondContact O-N 3.02Å; S203-I207 WeakPolarHBondContact O-CD1 3.5Å; S203-I207 WeakPolarHBondContact O-CG1 3.45Å; S203-I207 PolarHBondContact O-N 3.33Å; S203-L313 WeakPolarHBondContact OG-CD2 3.26Å
204L97.2Very high90.4Very high0 Ų013.9 Ų13.90%06%0.058CC..Hα-helixtrans-58-45.6171.3-178.664.9000111V122 I125 S126 I129 L142 D200 I201 W202 I206 I207 T208 L260 I271 V274V122-L204 HydrophobicContact CG1-CD1 4.23Å; I125-L204 HydrophobicContact CB-CD1 4.15Å; I125-L204 HydrophobicContact CG2-CD1 3.74Å; S126-L204 WeakPolarHBondContact OG-CD2 3.4Å; I129-L204 HydrophobicContact CD1-CB 4.27Å; I129-L204 HydrophobicContact CD1-CD1 4.42Å; I129-L204 HydrophobicContact CD1-CD2 4.33Å; L142-L204 HydrophobicContact CD2-CB 4.26Å; D200-L204 WeakPolarHBondContact O-CB 3.1Å; D200-L204 PolarHBondContact O-N 3.47Å; I201-L204 WeakPolarHBondContact O-CB 3.36Å; I201-L204 PolarHBondContact O-N 3.18Å; W202-L204 VanDerWaalsContact C-N 3.3Å; W202-L204 PolarHBondContact O-N 3.5Å; L204-I206 VanDerWaalsContact C-N 3.32Å; L204-I206 PolarHBondContact O-N 3.4Å; L204-I207 PolarHBondContact O-N 2.88Å; L204-T208 WeakPolarHBondContact O-CB 3.4Å; L204-T208 PolarHBondContact O-N 3.47Å; L204-T208 PolarHBondContact O-OG1 3.02Å; L204-L260 HydrophobicContact CD2-CD1 4.47Å; L204-L260 HydrophobicContact CD2-CD2 4.44Å; L204-L260 HydrophobicContact CG-CD1 4.29Å; L204-I271 HydrophobicContact CD2-CD1 4.23Å; L204-V274 HydrophobicContact CD2-CG1 3.85Å
205G95.7Very high90.8Very high0 Ų07.4 Ų7.40%04%0.036CC..Hα-helixtrans-58.4-40.5176.300000113.7I201 W202 S203 Y209I201-G205 PolarHBondContact O-N 3.04Å; W202-G205 WeakPolarHBondContact O-CA 3.48Å; W202-G205 PolarHBondContact O-N 3.07Å; S203-G205 VanDerWaalsContact C-N 3.33Å; S203-G205 PolarHBondContact O-N 3.46Å; G205-Y209 WeakPolarHBondContact O-CB 3.4Å; G205-Y209 PolarHBondContact O-N 3.33Å
206I92.2Very high90.9Very high2 Ų25.2 Ų5.21%0.013%0.028CC..Hα-helixtrans-65.8-47.2176.6-60.6-64.5000110.6W202 S203 L204 T208 Y209 I210 P217 F218 L261 F305 F309W202-I206 HydrophobicContact CZ2-CD1 4.24Å; W202-I206 WeakPolarHBondContact O-CG1 3.16Å; W202-I206 PolarHBondContact O-N 3.33Å; S203-I206 PolarHBondContact O-N 3.02Å; L204-I206 VanDerWaalsContact C-N 3.32Å; L204-I206 PolarHBondContact O-N 3.4Å; I206-T208 PolarHBondContact O-N 3.37Å; I206-Y209 PolarHBondContact O-N 3.05Å; I206-I210 HydrophobicContact CG2-CD1 3.79Å; I206-I210 WeakPolarHBondContact O-CD1 3.49Å; I206-I210 VanDerWaalsContact O-CG1 3.27Å; I206-I210 WeakPolarHBondContact O-CG1 3.3Å; I206-I210 PolarHBondContact O-N 3.16Å; I206-P217 HydrophobicContact CD1-CG 3.44Å; I206-P217 VanDerWaalsContact CD1-CG 3.44Å; I206-F218 HydrophobicContact CD1-CD2 4.01Å; I206-F218 HydrophobicContact CD1-CE2 3.65Å; I206-L261 HydrophobicContact CD1-CD1 4.28Å; I206-L261 HydrophobicContact CD1-CD2 3.57Å; I206-L261 HydrophobicContact CG1-CD2 3.88Å; I206-F305 HydrophobicContact CG2-CE2 4.15Å; I206-F305 HydrophobicContact CG2-CZ 3.72Å; I206-F309 HydrophobicContact CB-CE2 3.8Å; I206-F309 HydrophobicContact CB-CZ 4.04Å; I206-F309 HydrophobicContact CG1-CE2 3.71Å; I206-F309 HydrophobicContact CG1-CZ 4.32Å; I206-F309 HydrophobicContact CG2-CD2 3.94Å; I206-F309 HydrophobicContact CG2-CE2 3.66Å; I206-F309 HydrophobicContact CG2-CZ 4.06Å
207I93.5Very high90.7Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-61.6-45.9179-69.5160.3000110.4F104 I125 L142 L147 S203 L204 Y209 I210 L211F104-I207 HydrophobicContact CZ-CG2 4.23Å; I125-I207 HydrophobicContact CD1-CG2 3.88Å; L142-I207 HydrophobicContact CD1-CD1 4.19Å; L142-I207 HydrophobicContact CD2-CD1 4.14Å; L142-I207 HydrophobicContact CG-CD1 3.72Å; L147-I207 HydrophobicContact CD1-CD1 3.94Å; L147-I207 HydrophobicContact CD1-CG2 4.32Å; S203-I207 WeakPolarHBondContact O-CD1 3.5Å; S203-I207 WeakPolarHBondContact O-CG1 3.45Å; S203-I207 PolarHBondContact O-N 3.33Å; L204-I207 PolarHBondContact O-N 2.88Å; I207-Y209 VanDerWaalsContact C-N 3.34Å; I207-Y209 PolarHBondContact O-N 3.36Å; I207-I210 PolarHBondContact O-N 3.25Å; I207-L211 HydrophobicContact CG2-CD1 3.9Å; I207-L211 HydrophobicContact CG2-CG 4.25Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.34Å; I207-L211 PolarHBondContact O-N 3.35Å
208T95.7Very high89.8Confident0 Ų04 Ų40%02%0.023CC..Hα-helixtrans-59.1-43.3176.1-580000111.8V122 L204 I206 I210 L211 L212 I257 W279V122-T208 HydrophobicContact CG2-CG2 4.04Å; V122-T208 WeakPolarHBondContact CG2-OG1 3.3Å; L204-T208 WeakPolarHBondContact O-CB 3.4Å; L204-T208 PolarHBondContact O-N 3.47Å; L204-T208 PolarHBondContact O-OG1 3.02Å; I206-T208 PolarHBondContact O-N 3.37Å; T208-I210 VanDerWaalsContact C-N 3.32Å; T208-I210 PolarHBondContact O-N 3Å; T208-L211 PolarHBondContact O-N 3.33Å; T208-L212 HydrophobicContact CG2-CD1 4.02Å; T208-L212 WeakPolarHBondContact O-CG 3.45Å; T208-L212 PolarHBondContact O-N 2.83Å; T208-I257 HydrophobicContact CG2-CD1 4.16Å; T208-I257 HydrophobicContact CG2-CG1 3.82Å; T208-W279 HydrophobicContact CG2-CH2 4.34Å; T208-W279 HydrophobicContact CG2-CZ3 4.2Å
209Y93.2Very high88.5Confident12 Ų127.2 Ų7.25%0.0474%0.037CC..Hα-helixtrans-59.7-44.2176.7-173.8-74.3000111.6G205 I206 I207 L212 S213 C215 P217 Y239 D240 F241 W246 I257G205-Y209 WeakPolarHBondContact O-CB 3.4Å; G205-Y209 PolarHBondContact O-N 3.33Å; I206-Y209 PolarHBondContact O-N 3.05Å; I207-Y209 VanDerWaalsContact C-N 3.34Å; I207-Y209 PolarHBondContact O-N 3.36Å; Y209-L212 PolarHBondContact O-N 3.48Å; Y209-S213 WeakPolarHBondContact CE1-OG 3.2Å; Y209-S213 PolarHBondContact O-N 3.15Å; Y209-S213 PolarHBondContact O-OG 2.94Å; Y209-C215 WeakPolarHBondContact CD1-O 3.19Å; Y209-C215 WeakPolarHBondContact CE1-O 3.12Å; Y209-P217 HydrophobicContact CD1-CB 3.85Å; Y209-P217 VanDerWaalsContact CD1-CD 3.45Å; Y209-P217 HydrophobicContact CD1-CG 4.04Å; Y209-P217 HydrophobicContact CD2-CB 3.74Å; Y209-P217 HydrophobicContact CD2-CG 4.31Å; Y209-P217 VanDerWaalsContact CE1-CA 3.45Å; Y209-P217 HydrophobicContact CE1-CB 3.92Å; Y209-P217 HydrophobicContact CE2-CB 3.8Å; Y209-P217 HydrophobicContact CG-CB 3.78Å; Y209-P217 HydrophobicContact CG-CG 3.94Å; Y209-Y239 HydrophobicContact CD2-CD2 4.38Å; Y209-Y239 HydrophobicContact CE2-CD2 4.02Å; Y209-D240 WeakPolarHBondContact CE2-O 3.42Å; Y209-D240 PolarHBondContact OH-O 3.24Å; Y209-F241 HydrophobicContact CD2-CD1 4.47Å; Y209-F241 HydrophobicContact CD2-CE1 4.02Å; Y209-F241 AromaticContact CE2-CD1 3.92Å; Y209-F241 HydrophobicContact CE2-CD1 3.92Å; Y209-F241 AromaticContact CE2-CE1 3.86Å; Y209-F241 HydrophobicContact CE2-CE1 3.86Å; Y209-W246 AromaticContact CD1-CZ2 3.82Å; Y209-W246 HydrophobicContact CD1-CZ2 3.82Å; Y209-W246 AromaticContact CD2-CH2 3.84Å; Y209-W246 HydrophobicContact CD2-CH2 3.84Å; Y209-W246 AromaticContact CD2-CZ2 3.52Å; Y209-W246 HydrophobicContact CD2-CZ2 3.52Å; Y209-W246 AromaticContact CE1-CZ2 3.69Å; Y209-W246 HydrophobicContact CE1-CZ2 3.69Å; Y209-W246 AromaticContact CE2-CE2 3.95Å; Y209-W246 HydrophobicContact CE2-CH2 4.09Å; Y209-W246 AromaticContact CE2-CZ2 3.38Å; Y209-W246 HydrophobicContact CE2-CZ2 3.38Å; Y209-W246 HydrophobicContact CG-CH2 4.07Å; Y209-W246 AromaticContact CG-CZ2 3.74Å; Y209-W246 HydrophobicContact CG-CZ2 3.74Å; Y209-W246 AromaticContact CZ-CE2 3.83Å; Y209-W246 AromaticContact CZ-CZ2 3.46Å; Y209-W246 VanDerWaalsContact CZ-CZ2 3.46Å; Y209-W246 AromaticContact CZ-NE1 3.74Å; Y209-W246 PolarHBondContact OH-NE1 2.97Å; Y209-I257 HydrophobicContact CD2-CD1 4.27Å; Y209-I257 HydrophobicContact CD2-CG2 3.98Å
210I90.2Very high86.8Confident0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-68.6-43.4-179.9-63160.9000110.9F104 I206 I207 T208 L212 S213 G214 P216 T293 F297 W302 F305F104-I210 HydrophobicContact CD1-CG2 4.21Å; F104-I210 HydrophobicContact CE1-CB 4.15Å; F104-I210 HydrophobicContact CE1-CG2 3.42Å; F104-I210 VanDerWaalsContact CE1-CG2 3.42Å; F104-I210 HydrophobicContact CZ-CB 4.28Å; F104-I210 HydrophobicContact CZ-CG2 3.94Å; I206-I210 HydrophobicContact CG2-CD1 3.79Å; I206-I210 WeakPolarHBondContact O-CD1 3.49Å; I206-I210 VanDerWaalsContact O-CG1 3.27Å; I206-I210 WeakPolarHBondContact O-CG1 3.3Å; I206-I210 PolarHBondContact O-N 3.16Å; I207-I210 PolarHBondContact O-N 3.25Å; T208-I210 VanDerWaalsContact C-N 3.32Å; T208-I210 PolarHBondContact O-N 3Å; I210-L212 PolarHBondContact O-N 2.79Å; I210-S213 PolarHBondContact O-N 3.17Å; I210-G214 WeakPolarHBondContact O-CA 3.43Å; I210-G214 PolarHBondContact O-N 3.4Å; I210-P216 HydrophobicContact CD1-CB 4.31Å; I210-P216 HydrophobicContact CG1-CB 4.18Å; I210-T293 WeakPolarHBondContact O-CG2 3.48Å; I210-F297 HydrophobicContact CG2-CE1 3.82Å; I210-F297 HydrophobicContact CG2-CZ 3.94Å; I210-W302 HydrophobicContact CD1-CZ3 4.37Å; I210-W302 HydrophobicContact CG2-CH2 3.84Å; I210-W302 HydrophobicContact CG2-CZ3 3.6Å; I210-F305 HydrophobicContact CD1-CD1 4.2Å; I210-F305 HydrophobicContact CD1-CE1 3.29Å; I210-F305 HydrophobicContact CD1-CE2 4.13Å; I210-F305 HydrophobicContact CD1-CZ 3.26Å
211L92.8Very high84.7Confident0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-55.2-39.8177.4-73170.7000111.6L103 F104 I107 F113 A118 I121 V122 I207 T208 T293L103-L211 HydrophobicContact CD2-CD2 4.3Å; F104-L211 HydrophobicContact CE1-CD2 3.95Å; F104-L211 HydrophobicContact CE1-CG 4.37Å; F104-L211 HydrophobicContact CZ-CD2 4.21Å; F104-L211 HydrophobicContact CZ-CG 4.38Å; I107-L211 HydrophobicContact CD1-CD2 3.21Å; F113-L211 WeakPolarHBondContact CE1-O 3.33Å; F113-L211 HydrophobicContact CZ-CD2 4.24Å; A118-L211 HydrophobicContact CB-CB 4.21Å; I121-L211 HydrophobicContact CB-CD1 4.28Å; I121-L211 HydrophobicContact CD1-CD2 4.42Å; I121-L211 HydrophobicContact CG2-CD1 3.57Å; I121-L211 HydrophobicContact CG2-CD2 4.23Å; V122-L211 HydrophobicContact CG2-CD1 3.81Å; I207-L211 HydrophobicContact CG2-CD1 3.9Å; I207-L211 HydrophobicContact CG2-CG 4.25Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.34Å; I207-L211 PolarHBondContact O-N 3.35Å; T208-L211 PolarHBondContact O-N 3.33Å; L211-T293 WeakPolarHBondContact O-CG2 3.49Å; L211-T293 PolarHBondContact O-OG1 2.98Å
212L93.2Very high82.5Confident1 Ų123 Ų231%0.00512%0.117CC..Hα-helixtrans-83.8-14.4-175.7-68173.8000114.8E115 A118 T208 Y209 I210 W246 V249 A253 I257 W279 L291E115-L212 HydrophobicContact CG-CD2 3.86Å; A118-L212 HydrophobicContact CB-CD2 3.72Å; A118-L212 HydrophobicContact CB-CG 4.46Å; T208-L212 HydrophobicContact CG2-CD1 4.02Å; T208-L212 WeakPolarHBondContact O-CG 3.45Å; T208-L212 PolarHBondContact O-N 2.83Å; Y209-L212 PolarHBondContact O-N 3.48Å; I210-L212 PolarHBondContact O-N 2.79Å; L212-W246 HydrophobicContact CB-CH2 3.69Å; L212-W246 HydrophobicContact CB-CZ3 3.79Å; L212-W246 HydrophobicContact CD1-CH2 4.39Å; L212-W246 HydrophobicContact CD1-CZ3 4.11Å; L212-V249 HydrophobicContact CD1-CG1 4.15Å; L212-V249 HydrophobicContact CD2-CG1 4.42Å; L212-A253 HydrophobicContact CD1-CB 3.75Å; L212-I257 HydrophobicContact CD1-CD1 3.96Å; L212-W279 HydrophobicContact CD1-CH2 4.32Å; L212-W279 HydrophobicContact CD1-CZ2 4.24Å; L212-W279 HydrophobicContact CD2-CH2 4.42Å; L212-W279 HydrophobicContact CD2-CZ2 4.03Å; L212-L291 HydrophobicContact CD2-CD1 3.93Å; L212-L291 HydrophobicContact CD2-CD2 4.37Å
213S88Confident80.3Confident2 Ų224.9 Ų24.91%0.01414%0.137CC..Hα-helixtrans-134.4-14.2-173.365.80000116Y209 I210 C215 W246Y209-S213 WeakPolarHBondContact CE1-OG 3.2Å; Y209-S213 PolarHBondContact O-N 3.15Å; Y209-S213 PolarHBondContact O-OG 2.94Å; I210-S213 PolarHBondContact O-N 3.17Å; S213-C215 PolarHBondContact O-N 3.04Å; S213-C215 PolarHBondContact OG-N 2.94Å; S213-C215 PolarHBondContact OG-O 3.24Å; S213-W246 VanDerWaalsContact CB-CZ2 3.44Å
214G83.9Confident78Confident3 Ų330.9 Ų30.93%0.03117%0.165CC..SBendtrans74.4-1.8-170.600000114.4I210 T293 F296I210-G214 WeakPolarHBondContact O-CA 3.43Å; I210-G214 PolarHBondContact O-N 3.4Å; G214-T293 VanDerWaalsContact CA-CG2 3.48Å; G214-T293 WeakPolarHBondContact CA-O 3.47Å; G214-F296 WeakPolarHBondContact O-CB 3.36Å
215C79.8Confident75.6Confident16 Ų1633.2 Ų33.211%0.10818%0.18CC..SBendtrans-126.5134-167.4-87.50000108.9Y209 S213 F219 F296Y209-C215 WeakPolarHBondContact CD1-O 3.19Å; Y209-C215 WeakPolarHBondContact CE1-O 3.12Å; S213-C215 PolarHBondContact O-N 3.04Å; S213-C215 PolarHBondContact OG-N 2.94Å; S213-C215 PolarHBondContact OG-O 3.24Å; C215-F219 HydrophobicContact CB-CE2 3.68Å; C215-F219 HydrophobicContact CB-CZ 4.13Å; C215-F296 WeakPolarHBondContact SG-CD1 3.31Å; C215-F296 VanDerWaalsContact SG-CG 3.56Å
216P80.1Confident73.5Confident6 Ų636.4 Ų36.44%0.03920%0.197CC..  trans-65.2154.3166.421.6-38.3000114I210 F218 F219 F305I210-P216 HydrophobicContact CD1-CB 4.31Å; I210-P216 HydrophobicContact CG1-CB 4.18Å; P216-F218 PolarHBondContact O-N 3.44Å; P216-F219 HydrophobicContact CB-CE2 4.28Å; P216-F219 HydrophobicContact CB-CZ 4.39Å; P216-F219 VanDerWaalsContact CD-CE2 3.41Å; P216-F219 HydrophobicContact CG-CD1 3.86Å; P216-F219 HydrophobicContact CG-CD2 3.96Å; P216-F219 HydrophobicContact CG-CE1 3.29Å; P216-F219 HydrophobicContact CG-CE2 3.42Å; P216-F219 VanDerWaalsContact CG-CE2 3.42Å; P216-F219 HydrophobicContact CG-CG 4.22Å; P216-F219 HydrophobicContact CG-CZ 3.13Å; P216-F219 VanDerWaalsContact N-CE2 3.34Å; P216-F219 WeakPolarHBondContact O-CD2 3.32Å; P216-F219 WeakPolarHBondContact O-CE2 3.28Å; P216-F305 HydrophobicContact CB-CD2 3.29Å; P216-F305 HydrophobicContact CB-CE2 3.33Å; P216-F305 HydrophobicContact CB-CG 3.98Å; P216-F305 HydrophobicContact CB-CZ 4.07Å; P216-F305 HydrophobicContact CG-CB 4.03Å; P216-F305 HydrophobicContact CG-CD1 4.45Å; P216-F305 HydrophobicContact CG-CD2 3.35Å; P216-F305 HydrophobicContact CG-CE2 3.95Å; P216-F305 HydrophobicContact CG-CG 3.65Å
217P79.9Confident71.6Confident12 Ų1237.9 Ų37.98%0.07821%0.207CC..SBendtrans-70.3-19.2-178.521.8-27.2000113.5I206 Y209 Y239 L261I206-P217 HydrophobicContact CD1-CG 3.44Å; I206-P217 VanDerWaalsContact CD1-CG 3.44Å; Y209-P217 HydrophobicContact CD1-CB 3.85Å; Y209-P217 VanDerWaalsContact CD1-CD 3.45Å; Y209-P217 HydrophobicContact CD1-CG 4.04Å; Y209-P217 HydrophobicContact CD2-CB 3.74Å; Y209-P217 HydrophobicContact CD2-CG 4.31Å; Y209-P217 VanDerWaalsContact CE1-CA 3.45Å; Y209-P217 HydrophobicContact CE1-CB 3.92Å; Y209-P217 HydrophobicContact CE2-CB 3.8Å; Y209-P217 HydrophobicContact CG-CB 3.78Å; Y209-P217 HydrophobicContact CG-CG 3.94Å; P217-Y239 HydrophobicContact CB-CD2 4.31Å; P217-Y239 HydrophobicContact CB-CG 4.01Å; P217-Y239 WeakPolarHBondContact O-CB 3.32Å; P217-L261 HydrophobicContact CB-CD1 4.3Å; P217-L261 HydrophobicContact CG-CD1 4.05Å
218F73.3Confident69.9Low10 Ų1043.3 Ų43.34%0.04424%0.242CC..  trans-121.7105-176.8-52-71.1000109.4W202 I206 P216 M230 K233 I234 Y239W202-F218 HydrophobicContact CH2-CE2 4.11Å; W202-F218 AromaticContact CH2-CZ 3.97Å; W202-F218 HydrophobicContact CH2-CZ 3.97Å; W202-F218 AromaticContact CZ2-CE2 3.6Å; W202-F218 HydrophobicContact CZ2-CE2 3.6Å; W202-F218 AromaticContact CZ2-CZ 3.94Å; W202-F218 HydrophobicContact CZ2-CZ 3.94Å; I206-F218 HydrophobicContact CD1-CD2 4.01Å; I206-F218 HydrophobicContact CD1-CE2 3.65Å; P216-F218 PolarHBondContact O-N 3.44Å; F218-M230 HydrophobicContact CB-CE 4.25Å; F218-M230 HydrophobicContact CB-CG 4.33Å; F218-M230 VanDerWaalsContact O-CE 3.24Å; F218-M230 WeakPolarHBondContact O-CE 3.26Å; F218-K233 HydrophobicContact CD1-CB 4.12Å; F218-I234 HydrophobicContact CB-CD1 4.34Å; F218-I234 HydrophobicContact CB-CG1 3.81Å; F218-I234 HydrophobicContact CD1-CG1 3.92Å; F218-I234 HydrophobicContact CD2-CG1 3.68Å; F218-I234 HydrophobicContact CE1-CG1 4.43Å; F218-I234 HydrophobicContact CE2-CG1 4.23Å; F218-I234 HydrophobicContact CG-CD1 4.46Å; F218-I234 HydrophobicContact CG-CG1 3.51Å; F218-Y239 AromaticContact CE1-CD1 3.96Å; F218-Y239 HydrophobicContact CE1-CD1 3.96Å; F218-Y239 HydrophobicContact CE1-CG 4.41Å; F218-Y239 AromaticContact CZ-CD1 3.83Å; F218-Y239 HydrophobicContact CZ-CD1 3.83Å; F218-Y239 HydrophobicContact CZ-CG 4.46Å
219F63.1Low68.1Low77 Ų7745.1 Ų45.134%0.33826%0.261SS..  trans-123.5151.3170.3-69.9-83.3000111.8C215 P216 K233 A301C215-F219 HydrophobicContact CB-CE2 3.68Å; C215-F219 HydrophobicContact CB-CZ 4.13Å; P216-F219 HydrophobicContact CB-CE2 4.28Å; P216-F219 HydrophobicContact CB-CZ 4.39Å; P216-F219 VanDerWaalsContact CD-CE2 3.41Å; P216-F219 HydrophobicContact CG-CD1 3.86Å; P216-F219 HydrophobicContact CG-CD2 3.96Å; P216-F219 HydrophobicContact CG-CE1 3.29Å; P216-F219 HydrophobicContact CG-CE2 3.42Å; P216-F219 VanDerWaalsContact CG-CE2 3.42Å; P216-F219 HydrophobicContact CG-CG 4.22Å; P216-F219 HydrophobicContact CG-CZ 3.13Å; P216-F219 VanDerWaalsContact N-CE2 3.34Å; P216-F219 WeakPolarHBondContact O-CD2 3.32Å; P216-F219 WeakPolarHBondContact O-CE2 3.28Å; F219-K233 PolarHBondContact O-NZ 3.5Å; F219-A301 HydrophobicContact CE1-CB 4.46Å
220S53.8Low66.6Low22 Ų2245 Ų4515%0.15426%0.261CS..  trans-84.6134.9163.186.60000109.1N222 G223 Q224S220-N222 PolarHBondContact O-N 3.26Å; S220-N222 VanDerWaalsContact O-N 3.15Å; S220-G223 PolarHBondContact O-N 3.37Å; S220-G223 PolarHBondContact OG-N 3.39Å; S220-Q224 WeakPolarHBondContact CB-O 3.19Å; S220-Q224 PolarHBondContact OG-N 3.04Å; S220-Q224 VanDerWaalsContact OG-N 3.1Å; S220-Q224 PolarHBondContact OG-O 3.14Å
221Q50.2Low65.3Low183 Ų18349.8 Ų49.886%0.85528%0.282SS*.THydrogen-bonded Turntrans-63.9-15175.8-76.5173.9-15.900112.5
222N51Low64Low135 Ų13553.1 Ų53.172%0.72231%0.305SS*.THydrogen-bonded Turntrans-10710.1-171.5-59.34.1000112.7S220 Q224S220-N222 PolarHBondContact O-N 3.26Å; S220-N222 VanDerWaalsContact O-N 3.15Å; N222-Q224 PolarHBondContact O-N 2.96Å
223G46.3Very low62.8Low42 Ų4256.8 Ų56.843%0.43332%0.321SS..  trans629.3-179.600000114.9S220 Q304S220-G223 PolarHBondContact O-N 3.37Å; S220-G223 PolarHBondContact OG-N 3.39Å; G223-Q304 PolarHBondContact O-NE2 3.06Å; G223-Q304 PolarHBondContact O-OE1 3.47Å
224Q45.6Very low61.9Low125 Ų12557.7 Ų57.758%0.58433%0.325SS*.  trans-79.9123.5175.9-74.8-71.6-26.500108.1S220 N222 I226S220-Q224 WeakPolarHBondContact CB-O 3.19Å; S220-Q224 PolarHBondContact OG-N 3.04Å; S220-Q224 VanDerWaalsContact OG-N 3.1Å; S220-Q224 PolarHBondContact OG-O 3.14Å; N222-Q224 PolarHBondContact O-N 2.96Å; Q224-I226 PolarHBondContact O-N 3.35Å
225P46.6Very low61.2Low49 Ų4967 Ų6732%0.31836%0.36SS..THydrogen-bonded Turntrans-63.3-27.7-17019.2-28.9000112.2Q304 I308P225-Q304 HydrophobicContact CB-CG 4.47Å; P225-I308 HydrophobicContact CB-CD1 4.07Å; P225-I308 HydrophobicContact CB-CG1 4.2Å; P225-I308 WeakPolarHBondContact O-CD1 3.37Å; P225-I308 WeakPolarHBondContact O-CG1 3.44Å
226I51.3Low60.7Low68 Ų6868.6 Ų68.635%0.34937%0.374SS..THydrogen-bonded Turntrans-139.776.5179.7-52.8164000109Q224 K231 I308 E311Q224-I226 PolarHBondContact O-N 3.35Å; I226-K231 HydrophobicContact CG2-CD 3.94Å; I226-K231 VanDerWaalsContact CG2-CE 3.4Å; I226-K231 HydrophobicContact CG2-CG 4.39Å; I226-I308 HydrophobicContact CG1-CG1 4.48Å; I226-E311 WeakPolarHBondContact CD1-OE2 3.45Å
227S52.6Low60.2Low33 Ų3369.2 Ų69.223%0.23138%0.381CS..  trans-77.6141.7164.878.60000109.4G229 M230 K231S227-G229 PolarHBondContact O-N 3.24Å; S227-M230 PolarHBondContact O-N 3.38Å; S227-M230 PolarHBondContact OG-N 3.43Å; S227-M230 VanDerWaalsContact OG-N 3.15Å; S227-K231 PolarHBondContact O-N 2.86Å
228P57Low60.1Low113 Ų11375.8 Ų75.873%0.73441%0.409SS*.Hα-helixtrans-49.5-31.6168.6-28.635.2000112.4S232P228-S232 VanDerWaalsContact O-CB 3.25Å; P228-S232 WeakPolarHBondContact O-CB 3.35Å; P228-S232 PolarHBondContact O-N 3.26Å
229G57.4Low60.6Low38 Ų3877.7 Ų77.739%0.39242%0.416SS..Hα-helixtrans-61.9-39.2173.800000114S227 S232 K233S227-G229 PolarHBondContact O-N 3.24Å; G229-S232 WeakPolarHBondContact O-CB 3.43Å; G229-S232 PolarHBondContact O-N 3.45Å; G229-K233 WeakPolarHBondContact O-CG 3.27Å; G229-K233 PolarHBondContact O-N 2.91Å
230M62.6Low61.7Low11 Ų1179.5 Ų79.55%0.05443%0.429CS..Hα-helixtrans-71.2-44.4178.3-175.5174155.300112F218 S227 S232 K233 I234 I308F218-M230 HydrophobicContact CB-CE 4.25Å; F218-M230 HydrophobicContact CB-CG 4.33Å; F218-M230 VanDerWaalsContact O-CE 3.24Å; F218-M230 WeakPolarHBondContact O-CE 3.26Å; S227-M230 PolarHBondContact O-N 3.38Å; S227-M230 PolarHBondContact OG-N 3.43Å; S227-M230 VanDerWaalsContact OG-N 3.15Å; M230-S232 PolarHBondContact O-N 3.06Å; M230-K233 PolarHBondContact O-N 3.24Å; M230-K233 VanDerWaalsContact O-N 3.15Å; M230-I234 HydrophobicContact CE-CD1 4.24Å; M230-I234 HydrophobicContact CG-CD1 4.37Å; M230-I234 WeakPolarHBondContact O-CG1 3.48Å; M230-I234 PolarHBondContact O-N 3.46Å; M230-I308 HydrophobicContact CE-CB 4.1Å; M230-I308 HydrophobicContact CE-CD1 3.91Å; M230-I308 HydrophobicContact CE-CG1 4.49Å; M230-I308 HydrophobicContact CE-CG2 3.27Å; M230-I308 HydrophobicContact SD-CD1 4.2Å; M230-I308 HydrophobicContact SD-CG2 4.37Å
231K62.5Low63.5Low99 Ų9979.7 Ų79.743%0.4343%0.427SS..Hα-helixtrans-58.7-39.5171.7-77179.4171.7169.40111.1I226 S227 R235I226-K231 HydrophobicContact CG2-CD 3.94Å; I226-K231 VanDerWaalsContact CG2-CE 3.4Å; I226-K231 HydrophobicContact CG2-CG 4.39Å; S227-K231 PolarHBondContact O-N 2.86Å; K231-R235 WeakPolarHBondContact O-CB 3.42Å; K231-R235 WeakPolarHBondContact O-CG 3.38Å; K231-R235 PolarHBondContact O-N 3.35Å
232S65.3Low65.3Low71 Ų7173.9 Ų73.950%0.49741%0.405SS..Hα-helixtrans-63.8-44.7173.6-174.50000112.3P228 G229 M230 I234 R235 A236P228-S232 VanDerWaalsContact O-CB 3.25Å; P228-S232 WeakPolarHBondContact O-CB 3.35Å; P228-S232 PolarHBondContact O-N 3.26Å; G229-S232 WeakPolarHBondContact O-CB 3.43Å; G229-S232 PolarHBondContact O-N 3.45Å; M230-S232 PolarHBondContact O-N 3.06Å; S232-I234 PolarHBondContact O-N 2.79Å; S232-R235 CarbonylContact O-C 3.58Å; S232-R235 PolarHBondContact O-N 2.92Å; S232-A236 WeakPolarHBondContact O-CB 3.41Å; S232-A236 PolarHBondContact O-N 2.77Å
233K68.3Low67Low77 Ų7773.4 Ų73.434%0.33540%0.403SS..Hα-helixtrans-59.9-44175.3-76.6-177.9-177.9-176.80112.5F218 F219 G229 M230 A236 G237 K238F218-K233 HydrophobicContact CD1-CB 4.12Å; F219-K233 PolarHBondContact O-NZ 3.5Å; G229-K233 WeakPolarHBondContact O-CG 3.27Å; G229-K233 PolarHBondContact O-N 2.91Å; M230-K233 PolarHBondContact O-N 3.24Å; M230-K233 VanDerWaalsContact O-N 3.15Å; K233-A236 CarbonylContact O-C 3.54Å; K233-A236 PolarHBondContact O-N 3.24Å; K233-G237 PolarHBondContact O-N 3.24Å; K233-K238 PolarHBondContact O-N 3.24Å
234I70.1Confident68.9Low21 Ų2175.9 Ų75.911%0.10842%0.419CS..Hα-helixtrans-60.8-47175.9-67.6166.4000110.3W202 F218 M230 S232 A236 G237W202-I234 HydrophobicContact CZ2-CG2 4.11Å; F218-I234 HydrophobicContact CB-CD1 4.34Å; F218-I234 HydrophobicContact CB-CG1 3.81Å; F218-I234 HydrophobicContact CD1-CG1 3.92Å; F218-I234 HydrophobicContact CD2-CG1 3.68Å; F218-I234 HydrophobicContact CE1-CG1 4.43Å; F218-I234 HydrophobicContact CE2-CG1 4.23Å; F218-I234 HydrophobicContact CG-CD1 4.46Å; F218-I234 HydrophobicContact CG-CG1 3.51Å; M230-I234 HydrophobicContact CE-CD1 4.24Å; M230-I234 HydrophobicContact CG-CD1 4.37Å; M230-I234 WeakPolarHBondContact O-CG1 3.48Å; M230-I234 PolarHBondContact O-N 3.46Å; S232-I234 PolarHBondContact O-N 2.79Å; I234-A236 VanDerWaalsContact C-N 3.32Å; I234-A236 PolarHBondContact O-N 3.41Å; I234-G237 PolarHBondContact O-N 2.98Å
235R67.5Low70.7Confident200 Ų20072.4 Ų72.476%0.75540%0.403SS*.Hα-helixtrans-66.2-33.3177.8-74.4177.7179.6-179-0.6112.8K231 S232 G237 T263K231-R235 WeakPolarHBondContact O-CB 3.42Å; K231-R235 WeakPolarHBondContact O-CG 3.38Å; K231-R235 PolarHBondContact O-N 3.35Å; S232-R235 CarbonylContact O-C 3.58Å; S232-R235 PolarHBondContact O-N 2.92Å; R235-G237 VanDerWaalsContact C-N 3.32Å; R235-T263 WeakPolarHBondContact O-CG2 3.11Å
236A70Confident72.9Confident49 Ų4970.1 Ų70.141%0.40539%0.388SS..Hα-helixtrans-84.5-6.4178.400000113S232 K233 I234 K238S232-A236 WeakPolarHBondContact O-CB 3.41Å; S232-A236 PolarHBondContact O-N 2.77Å; K233-A236 CarbonylContact O-C 3.54Å; K233-A236 PolarHBondContact O-N 3.24Å; I234-A236 VanDerWaalsContact C-N 3.32Å; I234-A236 PolarHBondContact O-N 3.41Å; A236-K238 HydrophobicContact CB-CB 4.45Å; A236-K238 HydrophobicContact CB-CD 4.03Å; A236-K238 HydrophobicContact CB-CG 3.8Å; A236-K238 PolarHBondContact O-N 3.33Å
237G69.4Low74.8Confident19 Ų1975.2 Ų75.220%0.19641%0.407CS..THydrogen-bonded Turntrans6225.5-17400000113.4K233 I234 R235 Y239 T263K233-G237 PolarHBondContact O-N 3.24Å; I234-G237 PolarHBondContact O-N 2.98Å; R235-G237 VanDerWaalsContact C-N 3.32Å; G237-Y239 WeakPolarHBondContact O-CD1 3.39Å; G237-Y239 PolarHBondContact O-N 3.07Å; G237-T263 WeakPolarHBondContact CA-OG1 3.32Å; G237-T263 PolarHBondContact N-OG1 3.46Å
238K77.7Confident76.7Confident150 Ų15076.7 Ų76.765%0.65242%0.418SS*.  trans-89.999.6-175.3-70.2-174.5180-173.20110.8K233 A236K233-K238 PolarHBondContact O-N 3.24Å; A236-K238 HydrophobicContact CB-CB 4.45Å; A236-K238 HydrophobicContact CB-CD 4.03Å; A236-K238 HydrophobicContact CB-CG 3.8Å; A236-K238 PolarHBondContact O-N 3.33Å
239Y84Confident78.4Confident50 Ų5071.5 Ų71.520%0.19638%0.384CS..  trans-138.2166.6168.363-84.2000108.7Y209 P217 F218 G237 F241 I257 K258 L261Y209-Y239 HydrophobicContact CD2-CD2 4.38Å; Y209-Y239 HydrophobicContact CE2-CD2 4.02Å; P217-Y239 HydrophobicContact CB-CD2 4.31Å; P217-Y239 HydrophobicContact CB-CG 4.01Å; P217-Y239 WeakPolarHBondContact O-CB 3.32Å; F218-Y239 AromaticContact CE1-CD1 3.96Å; F218-Y239 HydrophobicContact CE1-CD1 3.96Å; F218-Y239 HydrophobicContact CE1-CG 4.41Å; F218-Y239 AromaticContact CZ-CD1 3.83Å; F218-Y239 HydrophobicContact CZ-CD1 3.83Å; F218-Y239 HydrophobicContact CZ-CG 4.46Å; G237-Y239 WeakPolarHBondContact O-CD1 3.39Å; G237-Y239 PolarHBondContact O-N 3.07Å; Y239-F241 HydrophobicContact CD2-CZ 4.43Å; Y239-F241 HydrophobicContact CE2-CE1 4.37Å; Y239-F241 HydrophobicContact CE2-CE2 4.07Å; Y239-F241 AromaticContact CE2-CZ 3.75Å; Y239-F241 HydrophobicContact CE2-CZ 3.75Å; Y239-I257 HydrophobicContact CE2-CG2 4Å; Y239-K258 VanDerWaalsContact OH-CA 3.24Å; Y239-K258 WeakPolarHBondContact OH-CA 3.49Å; Y239-L261 HydrophobicContact CD1-CD1 4.35Å; Y239-L261 HydrophobicContact CE1-CB 3.65Å; Y239-L261 HydrophobicContact CE1-CD1 4.01Å; Y239-L261 HydrophobicContact CE2-CD1 4.18Å
240D86.7Confident80.2Confident115 Ų11571.3 Ų71.362%0.61538%0.376SS*.  trans-138.7175.9-178.2-157-3.6000110.5Y209 P242Y209-D240 WeakPolarHBondContact CE2-O 3.42Å; Y209-D240 PolarHBondContact OH-O 3.24Å; D240-P242 WeakPolarHBondContact O-CD 3.25Å
241F90.9Very high81.7Confident26 Ų2678.3 Ų78.311%0.11441%0.407CS..  trans-119.875.8177.3-59.3-74.3000110.1Y209 Y239 D243 W246 K254 I257 K258Y209-F241 HydrophobicContact CD2-CD1 4.47Å; Y209-F241 HydrophobicContact CD2-CE1 4.02Å; Y209-F241 AromaticContact CE2-CD1 3.92Å; Y209-F241 HydrophobicContact CE2-CD1 3.92Å; Y209-F241 AromaticContact CE2-CE1 3.86Å; Y209-F241 HydrophobicContact CE2-CE1 3.86Å; Y239-F241 HydrophobicContact CD2-CZ 4.43Å; Y239-F241 HydrophobicContact CE2-CE1 4.37Å; Y239-F241 HydrophobicContact CE2-CE2 4.07Å; Y239-F241 AromaticContact CE2-CZ 3.75Å; Y239-F241 HydrophobicContact CE2-CZ 3.75Å; F241-D243 PolarHBondContact O-N 2.79Å; F241-W246 VanDerWaalsContact C-CD1 3.48Å; F241-W246 HydrophobicContact CB-CB 3.82Å; F241-W246 HydrophobicContact CB-CD2 4.01Å; F241-W246 HydrophobicContact CB-CG 3.68Å; F241-W246 AromaticContact CD1-CD2 3.5Å; F241-W246 HydrophobicContact CD1-CD2 3.5Å; F241-W246 VanDerWaalsContact CD1-CD2 3.5Å; F241-W246 AromaticContact CD1-CE2 3.66Å; F241-W246 AromaticContact CD1-CE3 3.51Å; F241-W246 HydrophobicContact CD1-CE3 3.51Å; F241-W246 HydrophobicContact CD1-CG 4.11Å; F241-W246 AromaticContact CD1-CH2 3.91Å; F241-W246 HydrophobicContact CD1-CH2 3.91Å; F241-W246 AromaticContact CD1-CZ2 3.88Å; F241-W246 HydrophobicContact CD1-CZ2 3.88Å; F241-W246 AromaticContact CD1-CZ3 3.72Å; F241-W246 HydrophobicContact CD1-CZ3 3.72Å; F241-W246 HydrophobicContact CE1-CD2 4.43Å; F241-W246 HydrophobicContact CE1-CE3 4.13Å; F241-W246 AromaticContact CE1-CH2 3.94Å; F241-W246 HydrophobicContact CE1-CH2 3.94Å; F241-W246 HydrophobicContact CE1-CZ2 4.23Å; F241-W246 AromaticContact CE1-CZ3 3.87Å; F241-W246 HydrophobicContact CE1-CZ3 3.87Å; F241-W246 HydrophobicContact CG-CD2 4.23Å; F241-W246 HydrophobicContact CG-CE3 4.39Å; F241-W246 HydrophobicContact CG-CG 4.41Å; F241-K254 HydrophobicContact CD1-CG 4.18Å; F241-K254 HydrophobicContact CE1-CB 4.34Å; F241-K254 HydrophobicContact CE1-CG 4.22Å; F241-K254 HydrophobicContact CE2-CB 4.31Å; F241-K254 HydrophobicContact CG-CD 4.37Å; F241-K254 HydrophobicContact CG-CG 4.35Å; F241-K254 HydrophobicContact CZ-CB 4.12Å; F241-K254 HydrophobicContact CZ-CG 4.45Å; F241-I257 HydrophobicContact CE1-CB 4.31Å; F241-I257 HydrophobicContact CE1-CD1 4.08Å; F241-I257 HydrophobicContact CE1-CG2 3.97Å; F241-I257 HydrophobicContact CZ-CB 4.18Å; F241-I257 HydrophobicContact CZ-CG2 3.86Å; F241-K258 HydrophobicContact CE2-CD 4.45Å; F241-K258 HydrophobicContact CE2-CG 4.04Å; F241-K258 HydrophobicContact CZ-CG 4.21Å
242P88Confident83.3Confident61 Ų6175.5 Ų75.540%0.39640%0.4SS..  trans-57.9135.3-175.6-21.631.3000112.4D240 A244 Q245 W246D240-P242 WeakPolarHBondContact O-CD 3.25Å; P242-A244 PolarHBondContact O-N 3.17Å; P242-Q245 PolarHBondContact O-N 3.39Å; P242-Q245 VanDerWaalsContact O-N 3.13Å; P242-Q245 PolarHBondContact O-OE1 3.43Å; P242-W246 WeakPolarHBondContact O-CB 3.45Å; P242-W246 VanDerWaalsContact O-CD1 3.3Å; P242-W246 PolarHBondContact O-N 3.19Å
243D87.9Confident84.8Confident125 Ų12572.1 Ų72.167%0.66838%0.376SS*.Hα-helixtrans-54.6-32.3-174-78-20.7000113.6F241 Q245 W246 K247F241-D243 PolarHBondContact O-N 2.79Å; D243-Q245 PolarHBondContact O-N 2.87Å; D243-W246 PolarHBondContact O-N 3.04Å; D243-K247 WeakPolarHBondContact O-CB 3.17Å; D243-K247 PolarHBondContact O-N 3.42Å
244A85.5Confident86.1Confident93 Ų9370.4 Ų70.477%0.76937%0.369SS*.Hα-helixtrans-54.6-36.9-179.500000113.5P242P242-A244 PolarHBondContact O-N 3.17Å
245Q84.3Confident87.4Confident52 Ų5272.5 Ų72.524%0.24338%0.38CS..Hα-helixtrans-106.5-28.4177.8-57.883.81.100112.4P242 D243 F296P242-Q245 PolarHBondContact O-N 3.39Å; P242-Q245 VanDerWaalsContact O-N 3.13Å; P242-Q245 PolarHBondContact O-OE1 3.43Å; D243-Q245 PolarHBondContact O-N 2.87Å; Q245-F296 HydrophobicContact CG-CE2 4.02Å; Q245-F296 HydrophobicContact CG-CZ 4.38Å
246W91.9Very high88.8Confident1 Ų163 Ų630%0.00434%0.344CS..Hα-helixtrans-107.2-5.2-163.9-68.592.6000114.6Y209 L212 S213 F241 P242 D243 S248 V249 K254 I257Y209-W246 AromaticContact CD1-CZ2 3.82Å; Y209-W246 HydrophobicContact CD1-CZ2 3.82Å; Y209-W246 AromaticContact CD2-CH2 3.84Å; Y209-W246 HydrophobicContact CD2-CH2 3.84Å; Y209-W246 AromaticContact CD2-CZ2 3.52Å; Y209-W246 HydrophobicContact CD2-CZ2 3.52Å; Y209-W246 AromaticContact CE1-CZ2 3.69Å; Y209-W246 HydrophobicContact CE1-CZ2 3.69Å; Y209-W246 AromaticContact CE2-CE2 3.95Å; Y209-W246 HydrophobicContact CE2-CH2 4.09Å; Y209-W246 AromaticContact CE2-CZ2 3.38Å; Y209-W246 HydrophobicContact CE2-CZ2 3.38Å; Y209-W246 HydrophobicContact CG-CH2 4.07Å; Y209-W246 AromaticContact CG-CZ2 3.74Å; Y209-W246 HydrophobicContact CG-CZ2 3.74Å; Y209-W246 AromaticContact CZ-CE2 3.83Å; Y209-W246 AromaticContact CZ-CZ2 3.46Å; Y209-W246 VanDerWaalsContact CZ-CZ2 3.46Å; Y209-W246 AromaticContact CZ-NE1 3.74Å; Y209-W246 PolarHBondContact OH-NE1 2.97Å; L212-W246 HydrophobicContact CB-CH2 3.69Å; L212-W246 HydrophobicContact CB-CZ3 3.79Å; L212-W246 HydrophobicContact CD1-CH2 4.39Å; L212-W246 HydrophobicContact CD1-CZ3 4.11Å; S213-W246 VanDerWaalsContact CB-CZ2 3.44Å; F241-W246 VanDerWaalsContact C-CD1 3.48Å; F241-W246 HydrophobicContact CB-CB 3.82Å; F241-W246 HydrophobicContact CB-CD2 4.01Å; F241-W246 HydrophobicContact CB-CG 3.68Å; F241-W246 AromaticContact CD1-CD2 3.5Å; F241-W246 HydrophobicContact CD1-CD2 3.5Å; F241-W246 VanDerWaalsContact CD1-CD2 3.5Å; F241-W246 AromaticContact CD1-CE2 3.66Å; F241-W246 AromaticContact CD1-CE3 3.51Å; F241-W246 HydrophobicContact CD1-CE3 3.51Å; F241-W246 HydrophobicContact CD1-CG 4.11Å; F241-W246 AromaticContact CD1-CH2 3.91Å; F241-W246 HydrophobicContact CD1-CH2 3.91Å; F241-W246 AromaticContact CD1-CZ2 3.88Å; F241-W246 HydrophobicContact CD1-CZ2 3.88Å; F241-W246 AromaticContact CD1-CZ3 3.72Å; F241-W246 HydrophobicContact CD1-CZ3 3.72Å; F241-W246 HydrophobicContact CE1-CD2 4.43Å; F241-W246 HydrophobicContact CE1-CE3 4.13Å; F241-W246 AromaticContact CE1-CH2 3.94Å; F241-W246 HydrophobicContact CE1-CH2 3.94Å; F241-W246 HydrophobicContact CE1-CZ2 4.23Å; F241-W246 AromaticContact CE1-CZ3 3.87Å; F241-W246 HydrophobicContact CE1-CZ3 3.87Å; F241-W246 HydrophobicContact CG-CD2 4.23Å; F241-W246 HydrophobicContact CG-CE3 4.39Å; F241-W246 HydrophobicContact CG-CG 4.41Å; P242-W246 WeakPolarHBondContact O-CB 3.45Å; P242-W246 VanDerWaalsContact O-CD1 3.3Å; P242-W246 PolarHBondContact O-N 3.19Å; D243-W246 PolarHBondContact O-N 3.04Å; W246-S248 VanDerWaalsContact C-N 3.27Å; W246-S248 PolarHBondContact O-N 3.27Å; W246-V249 HydrophobicContact CE3-CB 3.87Å; W246-V249 HydrophobicContact CE3-CG1 3.81Å; W246-V249 HydrophobicContact CE3-CG2 3.97Å; W246-V249 HydrophobicContact CZ3-CB 4.41Å; W246-V249 HydrophobicContact CZ3-CG1 3.87Å; W246-V249 HydrophobicContact CZ3-CG2 4.47Å; W246-V249 PolarHBondContact O-N 2.84Å; W246-K254 HydrophobicContact CE3-CG 4.11Å; W246-K254 HydrophobicContact CZ3-CG 4.38Å; W246-K254 WeakPolarHBondContact O-CE 3.49Å; W246-K254 PolarHBondContact O-NZ 3.42Å; W246-I257 HydrophobicContact CH2-CD1 3.44Å; W246-I257 VanDerWaalsContact CH2-CD1 3.44Å; W246-I257 HydrophobicContact CZ3-CD1 3.74Å
247K91.7Very high90.1Very high175 Ų17560.7 Ų60.776%0.76133%0.325SS*.SBendtrans-57.8-38.5-177-180177.2-179.4-179.20112.9D243D243-K247 WeakPolarHBondContact O-CB 3.17Å; D243-K247 PolarHBondContact O-N 3.42Å
248S91Very high91.3Very high64 Ų6464.3 Ų64.345%0.44834%0.335SS..SBendtrans-89.7-16.1-178590000114.1W246W246-S248 VanDerWaalsContact C-N 3.27Å; W246-S248 PolarHBondContact O-N 3.27Å
249V94.1Very high92.2Very high5 Ų558.8 Ų58.83%0.0332%0.316CS..SBendtrans-71.8133.1-178.7178.80000110.7L212 W246 A253 K254 L291L212-V249 HydrophobicContact CD1-CG1 4.15Å; L212-V249 HydrophobicContact CD2-CG1 4.42Å; W246-V249 HydrophobicContact CE3-CB 3.87Å; W246-V249 HydrophobicContact CE3-CG1 3.81Å; W246-V249 HydrophobicContact CE3-CG2 3.97Å; W246-V249 HydrophobicContact CZ3-CB 4.41Å; W246-V249 HydrophobicContact CZ3-CG1 3.87Å; W246-V249 HydrophobicContact CZ3-CG2 4.47Å; W246-V249 PolarHBondContact O-N 2.84Å; V249-A253 HydrophobicContact CG1-CB 3.86Å; V249-K254 HydrophobicContact CG1-CG 4.49Å; V249-K254 WeakPolarHBondContact O-CE 3.43Å; V249-L291 HydrophobicContact CG2-CD2 3.83Å
250S95Very high92.7Very high33 Ų3356.4 Ų56.423%0.23131%0.306CS..  trans-58.2148.8-17676.90000113.5E115 S252 A253 K254E115-S250 WeakPolarHBondContact OE1-CB 3.31Å; E115-S250 PolarHBondContact OE1-OG 3.41Å; E115-S250 PolarHBondContact OE2-N 3.48Å; S250-S252 PolarHBondContact O-N 3.5Å; S250-A253 PolarHBondContact O-N 3.24Å; S250-A253 WeakPolarHBondContact OG-CB 3.02Å; S250-A253 PolarHBondContact OG-N 2.93Å; S250-K254 PolarHBondContact O-N 3Å
251K94.8Very high93Very high158 Ų15851.1 Ų51.169%0.68728%0.278SS*.Hα-helixtrans-58.7-36.7173.5-176.8179.6176.4-174.90111.6A253 K254 D255K251-A253 PolarHBondContact O-N 3.38Å; K251-K254 PolarHBondContact O-N 3.46Å; K251-D255 WeakPolarHBondContact CE-OD2 3.34Å; K251-D255 WeakPolarHBondContact CG-OD2 3.47Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 VanDerWaalsContact O-CG 3.31Å; K251-D255 PolarHBondContact O-N 3.44Å
252S95.1Very high93Very high41 Ų4153 Ų5329%0.28729%0.289SS..Hα-helixtrans-62-42.6180-167.80000112S250 D255 L256S250-S252 PolarHBondContact O-N 3.5Å; S252-D255 PolarHBondContact O-N 3.15Å; S252-L256 PolarHBondContact O-N 3.03Å
253A96.6Very high92.8Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-63.3-44.3174.700000112.4L212 V249 S250 K251 D255 L256 I257 W279L212-A253 HydrophobicContact CD1-CB 3.75Å; V249-A253 HydrophobicContact CG1-CB 3.86Å; S250-A253 PolarHBondContact O-N 3.24Å; S250-A253 WeakPolarHBondContact OG-CB 3.02Å; S250-A253 PolarHBondContact OG-N 2.93Å; K251-A253 PolarHBondContact O-N 3.38Å; A253-D255 PolarHBondContact O-N 2.97Å; A253-L256 WeakPolarHBondContact O-CB 3.14Å; A253-L256 PolarHBondContact O-N 3.05Å; A253-I257 WeakPolarHBondContact O-CG1 3.49Å; A253-I257 PolarHBondContact O-N 3.25Å; A253-W279 HydrophobicContact CB-CD2 4.19Å; A253-W279 HydrophobicContact CB-CG 4.34Å; A253-W279 HydrophobicContact CB-CZ2 4.14Å
254K96.1Very high92.5Very high41 Ų4151.9 Ų51.918%0.17828%0.278CS..Hα-helixtrans-62-42.9176.9-65.8175.9-173.6176.50111.8F241 W246 V249 S250 K251 I257 K258F241-K254 HydrophobicContact CD1-CG 4.18Å; F241-K254 HydrophobicContact CE1-CB 4.34Å; F241-K254 HydrophobicContact CE1-CG 4.22Å; F241-K254 HydrophobicContact CE2-CB 4.31Å; F241-K254 HydrophobicContact CG-CD 4.37Å; F241-K254 HydrophobicContact CG-CG 4.35Å; F241-K254 HydrophobicContact CZ-CB 4.12Å; F241-K254 HydrophobicContact CZ-CG 4.45Å; W246-K254 HydrophobicContact CE3-CG 4.11Å; W246-K254 HydrophobicContact CZ3-CG 4.38Å; W246-K254 WeakPolarHBondContact O-CE 3.49Å; W246-K254 PolarHBondContact O-NZ 3.42Å; V249-K254 HydrophobicContact CG1-CG 4.49Å; V249-K254 WeakPolarHBondContact O-CE 3.43Å; S250-K254 PolarHBondContact O-N 3Å; K251-K254 PolarHBondContact O-N 3.46Å; K254-I257 PolarHBondContact O-N 2.94Å; K254-K258 WeakPolarHBondContact O-CG 3.35Å; K254-K258 PolarHBondContact O-N 3.2Å
255D96.5Very high92.5Very high64 Ų6448.6 Ų48.634%0.34225%0.249SC..Hα-helixtrans-69.6-35.1-180-69.5-17.7000111.8K251 S252 A253 K258 S259K251-D255 WeakPolarHBondContact CE-OD2 3.34Å; K251-D255 WeakPolarHBondContact CG-OD2 3.47Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 VanDerWaalsContact O-CG 3.31Å; K251-D255 PolarHBondContact O-N 3.44Å; S252-D255 PolarHBondContact O-N 3.15Å; A253-D255 PolarHBondContact O-N 2.97Å; D255-K258 PolarHBondContact O-N 2.58Å; D255-K258 IonicContact OD1-NZ 3.63Å; D255-K258 PolarHBondContact OD1-NZ 3.37Å; D255-S259 PolarHBondContact O-N 3.26Å; D255-S259 VanDerWaalsContact O-N 3.14Å
256L97.6Very high92.5Very high1 Ų149.7 Ų49.71%0.00526%0.257CS..Hα-helixtrans-58.1-53.4168.6174.963.7000110.8S252 A253 K258 S259 L260 V274 N277 W279 V280S252-L256 PolarHBondContact O-N 3.03Å; A253-L256 WeakPolarHBondContact O-CB 3.14Å; A253-L256 PolarHBondContact O-N 3.05Å; L256-K258 VanDerWaalsContact C-N 3.26Å; L256-K258 PolarHBondContact O-N 2.94Å; L256-S259 PolarHBondContact O-N 3.06Å; L256-S259 PolarHBondContact O-OG 3.49Å; L256-L260 HydrophobicContact CD1-CD1 4Å; L256-L260 HydrophobicContact CD1-CD2 4.39Å; L256-L260 HydrophobicContact CD1-CG 4.08Å; L256-L260 HydrophobicContact CG-CD1 3.88Å; L256-L260 HydrophobicContact CG-CG 4.35Å; L256-L260 WeakPolarHBondContact O-CG 3.5Å; L256-L260 PolarHBondContact O-N 3.27Å; L256-V274 HydrophobicContact CD1-CG1 4.34Å; L256-N277 HydrophobicContact CD1-CB 4.24Å; L256-W279 HydrophobicContact CD2-CD2 4.42Å; L256-W279 HydrophobicContact CD2-CE3 3.53Å; L256-W279 HydrophobicContact CD2-CZ3 4.05Å; L256-V280 HydrophobicContact CD2-CG2 3.63Å
257I96.5Very high92.4Very high0 Ų058.6 Ų58.60%029%0.29CS..Hα-helixtrans-54.4-44.1177.7-71.5169.8000111.4T208 Y209 L212 Y239 F241 W246 A253 K254 S259 L260 L261T208-I257 HydrophobicContact CG2-CD1 4.16Å; T208-I257 HydrophobicContact CG2-CG1 3.82Å; Y209-I257 HydrophobicContact CD2-CD1 4.27Å; Y209-I257 HydrophobicContact CD2-CG2 3.98Å; L212-I257 HydrophobicContact CD1-CD1 3.96Å; Y239-I257 HydrophobicContact CE2-CG2 4Å; F241-I257 HydrophobicContact CE1-CB 4.31Å; F241-I257 HydrophobicContact CE1-CD1 4.08Å; F241-I257 HydrophobicContact CE1-CG2 3.97Å; F241-I257 HydrophobicContact CZ-CB 4.18Å; F241-I257 HydrophobicContact CZ-CG2 3.86Å; W246-I257 HydrophobicContact CH2-CD1 3.44Å; W246-I257 VanDerWaalsContact CH2-CD1 3.44Å; W246-I257 HydrophobicContact CZ3-CD1 3.74Å; A253-I257 WeakPolarHBondContact O-CG1 3.49Å; A253-I257 PolarHBondContact O-N 3.25Å; K254-I257 PolarHBondContact O-N 2.94Å; I257-S259 VanDerWaalsContact C-N 3.28Å; I257-S259 PolarHBondContact O-N 3.39Å; I257-L260 PolarHBondContact O-N 2.84Å; I257-L260 VanDerWaalsContact O-N 3.14Å; I257-L261 HydrophobicContact CG2-CD1 3.68Å; I257-L261 HydrophobicContact CG2-CG 4.2Å; I257-L261 WeakPolarHBondContact O-CB 3.49Å; I257-L261 PolarHBondContact O-N 2.99Å
258K95.5Very high92.5Very high95 Ų9551.4 Ų51.441%0.41326%0.258SS..Hα-helixtrans-54.6-44177-72.1172.7-162.4159.40113Y239 F241 K254 D255 L256 L262Y239-K258 VanDerWaalsContact OH-CA 3.24Å; Y239-K258 WeakPolarHBondContact OH-CA 3.49Å; F241-K258 HydrophobicContact CE2-CD 4.45Å; F241-K258 HydrophobicContact CE2-CG 4.04Å; F241-K258 HydrophobicContact CZ-CG 4.21Å; K254-K258 WeakPolarHBondContact O-CG 3.35Å; K254-K258 PolarHBondContact O-N 3.2Å; D255-K258 PolarHBondContact O-N 2.58Å; D255-K258 IonicContact OD1-NZ 3.63Å; D255-K258 PolarHBondContact OD1-NZ 3.37Å; L256-K258 VanDerWaalsContact C-N 3.26Å; L256-K258 PolarHBondContact O-N 2.94Å; K258-L262 WeakPolarHBondContact O-CG 3.45Å
259S95.7Very high92.8Very high35 Ų3549.5 Ų49.525%0.24524%0.244CC..Hα-helixtrans-68.5-37.9177.874.70000113D255 L256 I257 L262 P269D255-S259 PolarHBondContact O-N 3.26Å; D255-S259 VanDerWaalsContact O-N 3.14Å; L256-S259 PolarHBondContact O-N 3.06Å; L256-S259 PolarHBondContact O-OG 3.49Å; I257-S259 VanDerWaalsContact C-N 3.28Å; I257-S259 PolarHBondContact O-N 3.39Å; S259-L262 WeakPolarHBondContact O-CD1 3.07Å; S259-L262 WeakPolarHBondContact O-CG 3.49Å; S259-P269 WeakPolarHBondContact O-CD 3.42Å
260L95.4Very high92.8Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-72.5-36.6-178.2-62.8174.9000112.4I201 L204 L256 I257 L262 R268 P269 V274I201-L260 HydrophobicContact CG2-CD2 3.46Å; I201-L260 VanDerWaalsContact CG2-CD2 3.46Å; L204-L260 HydrophobicContact CD2-CD1 4.47Å; L204-L260 HydrophobicContact CD2-CD2 4.44Å; L204-L260 HydrophobicContact CG-CD1 4.29Å; L256-L260 HydrophobicContact CD1-CD1 4Å; L256-L260 HydrophobicContact CD1-CD2 4.39Å; L256-L260 HydrophobicContact CD1-CG 4.08Å; L256-L260 HydrophobicContact CG-CD1 3.88Å; L256-L260 HydrophobicContact CG-CG 4.35Å; L256-L260 WeakPolarHBondContact O-CG 3.5Å; L256-L260 PolarHBondContact O-N 3.27Å; I257-L260 PolarHBondContact O-N 2.84Å; I257-L260 VanDerWaalsContact O-N 3.14Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 3.06Å; L260-R268 WeakPolarHBondContact O-CD 3.5Å; L260-P269 HydrophobicContact CD2-CG 4.02Å; L260-V274 HydrophobicContact CD2-CG1 4.42Å; L260-V274 HydrophobicContact CD2-CG2 3.55Å
261L92.4Very high92.9Very high3 Ų351.8 Ų51.82%0.01626%0.257CS..THydrogen-bonded Turntrans-94.925-175.9-62.4-175.4000113.7W202 I206 P217 Y239 I257 T263W202-L261 HydrophobicContact CD2-CD2 3.91Å; W202-L261 HydrophobicContact CE3-CD2 4.09Å; W202-L261 HydrophobicContact CG-CD2 4.47Å; W202-L261 HydrophobicContact CH2-CD2 4.5Å; W202-L261 HydrophobicContact CZ2-CD2 4.29Å; W202-L261 HydrophobicContact CZ3-CB 4.33Å; W202-L261 HydrophobicContact CZ3-CD2 4.39Å; W202-L261 VanDerWaalsContact CZ3-O 3.31Å; W202-L261 WeakPolarHBondContact CZ3-O 3.46Å; I206-L261 HydrophobicContact CD1-CD1 4.28Å; I206-L261 HydrophobicContact CD1-CD2 3.57Å; I206-L261 HydrophobicContact CG1-CD2 3.88Å; P217-L261 HydrophobicContact CB-CD1 4.3Å; P217-L261 HydrophobicContact CG-CD1 4.05Å; Y239-L261 HydrophobicContact CD1-CD1 4.35Å; Y239-L261 HydrophobicContact CE1-CB 3.65Å; Y239-L261 HydrophobicContact CE1-CD1 4.01Å; Y239-L261 HydrophobicContact CE2-CD1 4.18Å; I257-L261 HydrophobicContact CG2-CD1 3.68Å; I257-L261 HydrophobicContact CG2-CG 4.2Å; I257-L261 WeakPolarHBondContact O-CB 3.49Å; I257-L261 PolarHBondContact O-N 2.99Å; L261-T263 PolarHBondContact O-N 3.06Å
262L90.3Very high93Very high67 Ų6751.7 Ų51.735%0.35125%0.252SS..  trans-63.8133.8170.2-69171.9000110.6W202 K258 S259 L260 E264 R267 R268W202-L262 WeakPolarHBondContact CZ3-O 3.43Å; K258-L262 WeakPolarHBondContact O-CG 3.45Å; S259-L262 WeakPolarHBondContact O-CD1 3.07Å; S259-L262 WeakPolarHBondContact O-CG 3.49Å; L260-L262 VanDerWaalsContact C-N 3.34Å; L260-L262 PolarHBondContact O-N 3.06Å; L262-E264 VanDerWaalsContact C-N 3.34Å; L262-E264 PolarHBondContact O-N 3.42Å; L262-R267 HydrophobicContact CD1-CB 3.91Å; L262-R267 WeakPolarHBondContact CD1-O 3.47Å; L262-R268 HydrophobicContact CB-CG 4.06Å; L262-R268 PolarHBondContact O-NE 3.42Å; L262-R268 PolarHBondContact O-NH2 3.24Å
263T83.8Confident93.1Very high55 Ų5555.1 Ų55.134%0.33726%0.263SS..SBendtrans-58.8-47.5179-55.30000111.1R235 G237 L261 P265 R268R235-T263 WeakPolarHBondContact O-CG2 3.11Å; G237-T263 WeakPolarHBondContact CA-OG1 3.32Å; G237-T263 PolarHBondContact N-OG1 3.46Å; L261-T263 PolarHBondContact O-N 3.06Å; T263-P265 VanDerWaalsContact O-CD 3.3Å; T263-P265 WeakPolarHBondContact O-CD 3.46Å; T263-R268 PolarHBondContact O-NH2 3Å
264E83.5Confident93.2Very high106 Ų10655.1 Ų55.150%0.49526%0.264SS..SBendtrans-72.7114.9179.5-63.3-53.3142.300111.3L262 D266 R267L262-E264 VanDerWaalsContact C-N 3.34Å; L262-E264 PolarHBondContact O-N 3.42Å; E264-D266 VanDerWaalsContact C-N 3.27Å; E264-D266 PolarHBondContact O-N 3.4Å; E264-R267 HydrophobicContact CB-CB 4.15Å; E264-R267 HydrophobicContact CB-CG 3.85Å; E264-R267 PolarHBondContact O-N 3.48Å; E264-R267 VanDerWaalsContact O-N 3.15Å
265P85.4Confident93.2Very high25 Ų2554.9 Ų54.916%0.16226%0.264CS..G310 helixtrans-52.2-42.2179.8-29.938.6000114Y195 S198 T263 R267 R268Y195-P265 HydrophobicContact CD2-CB 4.04Å; Y195-P265 HydrophobicContact CD2-CG 3.81Å; Y195-P265 HydrophobicContact CE2-CG 3.87Å; S198-P265 WeakPolarHBondContact OG-CB 3.47Å; T263-P265 VanDerWaalsContact O-CD 3.3Å; T263-P265 WeakPolarHBondContact O-CD 3.46Å; P265-R267 PolarHBondContact O-N 2.74Å; P265-R268 WeakPolarHBondContact O-CB 3.15Å; P265-R268 PolarHBondContact O-N 3.02Å
266D84.3Confident93.3Very high75 Ų7558 Ų5840%0.40128%0.28SS..G310 helixtrans-75.2-12.4-174.9-61.9-46.8000113.9R194 E264R194-D266 WeakPolarHBondContact CB-OD1 3.45Å; E264-D266 VanDerWaalsContact C-N 3.27Å; E264-D266 PolarHBondContact O-N 3.4Å
267R89.7Confident93.2Very high188 Ų18860 Ų6071%0.70929%0.291SS*.G310 helixtrans-93-11.7175.3-62.6-171.5176.2-169.2-1.6112.9L262 E264 P265L262-R267 HydrophobicContact CD1-CB 3.91Å; L262-R267 WeakPolarHBondContact CD1-O 3.47Å; E264-R267 HydrophobicContact CB-CB 4.15Å; E264-R267 HydrophobicContact CB-CG 3.85Å; E264-R267 PolarHBondContact O-N 3.48Å; E264-R267 VanDerWaalsContact O-N 3.15Å; P265-R267 PolarHBondContact O-N 2.74Å
268R94.1Very high93.2Very high24 Ų2465.3 Ų65.39%0.09132%0.316CS..SBendtrans-68.5145.9175.3-66-178.6-161128.317.1109.7S198 I201 L260 L262 T263 P265S198-R268 PolarHBondContact O-NH1 3.44Å; S198-R268 PolarHBondContact OG-NH1 2.84Å; I201-R268 HydrophobicContact CG2-CB 4.05Å; L260-R268 WeakPolarHBondContact O-CD 3.5Å; L262-R268 HydrophobicContact CB-CG 4.06Å; L262-R268 PolarHBondContact O-NE 3.42Å; L262-R268 PolarHBondContact O-NH2 3.24Å; T263-R268 PolarHBondContact O-NH2 3Å; P265-R268 WeakPolarHBondContact O-CB 3.15Å; P265-R268 PolarHBondContact O-N 3.02Å
269P95.4Very high93.2Very high23 Ų2361 Ų6115%0.14930%0.297CS..PPolyproline II helixtrans-64.2149.6174.929.3-35.7000110.6I201 S259 L260 E273 V274I201-P269 WeakPolarHBondContact CG1-O 3.5Å; I201-P269 HydrophobicContact CG2-CG 4.29Å; I201-P269 WeakPolarHBondContact CG2-O 3.33Å; S259-P269 WeakPolarHBondContact O-CD 3.42Å; L260-P269 HydrophobicContact CD2-CG 4.02Å; P269-E273 WeakPolarHBondContact CA-OE2 3.37Å; P269-E273 HydrophobicContact CB-CB 3.89Å; P269-V274 HydrophobicContact CB-CG2 4.02Å; P269-V274 HydrophobicContact CG-CG2 3.66Å
270T95.6Very high93.3Very high79 Ų7959.3 Ų59.349%0.48529%0.285SS..PPolyproline II helixtrans-64.9157.3163.1650000110.2R272 E273 V274T270-R272 PolarHBondContact O-N 2.96Å; T270-R272 VanDerWaalsContact O-N 3.16Å; T270-E273 WeakPolarHBondContact CB-OE2 2.91Å; T270-E273 WeakPolarHBondContact CG2-OE2 3.23Å; T270-E273 PolarHBondContact N-OE2 3.14Å; T270-E273 WeakPolarHBondContact O-CB 3.24Å; T270-E273 PolarHBondContact O-N 3.31Å; T270-E273 WeakPolarHBondContact OG1-CG 3.49Å; T270-E273 PolarHBondContact OG1-N 3.19Å; T270-E273 PolarHBondContact OG1-OE2 3.05Å; T270-V274 WeakPolarHBondContact O-CG2 3.4Å; T270-V274 PolarHBondContact O-N 2.72Å
271I97.1Very high93.4Very high7 Ų761.8 Ų61.84%0.03631%0.306CS..Hα-helixtrans-61-27.5177.5-167.961000113I129 A130 H133 I201 L204 V274 M275I129-I271 HydrophobicContact CB-CD1 3.9Å; I129-I271 HydrophobicContact CB-CG1 3.98Å; I129-I271 HydrophobicContact CD1-CD1 4.39Å; I129-I271 HydrophobicContact CG2-CB 4.19Å; I129-I271 HydrophobicContact CG2-CD1 3.83Å; I129-I271 HydrophobicContact CG2-CG1 3.77Å; A130-I271 HydrophobicContact CB-CG1 3.91Å; A130-I271 HydrophobicContact CB-CG2 4.25Å; H133-I271 HydrophobicContact CB-CG2 3.75Å; I201-I271 HydrophobicContact CD1-CB 3.9Å; I201-I271 HydrophobicContact CD1-CD1 4.01Å; L204-I271 HydrophobicContact CD2-CD1 4.23Å; I271-V274 HydrophobicContact CD1-CB 4.22Å; I271-V274 HydrophobicContact CD1-CG1 4.36Å; I271-V274 PolarHBondContact O-N 3.21Å; I271-M275 WeakPolarHBondContact O-CB 3.49Å; I271-M275 VanDerWaalsContact O-CG 3.27Å; I271-M275 WeakPolarHBondContact O-CG 2.88Å; I271-M275 PolarHBondContact O-N 2.95Å
272R96.3Very high93.5Very high156 Ų15665.4 Ų65.459%0.58932%0.322SS*.Hα-helixtrans-65.9-43.6173-87.3-175.9177.3171-0.9112.1E134 T270 V274 M275 N276E134-R272 IonicContact OE1-CZ 2.8Å; E134-R272 IonicContact OE1-NE 2.7Å; E134-R272 PolarHBondContact OE1-NE 2.97Å; E134-R272 IonicContact OE1-NH2 2.64Å; E134-R272 PolarHBondContact OE1-NH2 2.81Å; T270-R272 PolarHBondContact O-N 2.96Å; T270-R272 VanDerWaalsContact O-N 3.16Å; R272-V274 VanDerWaalsContact C-N 3.28Å; R272-V274 PolarHBondContact O-N 3.32Å; R272-M275 PolarHBondContact O-N 3.02Å; R272-N276 WeakPolarHBondContact O-CB 3.25Å; R272-N276 VanDerWaalsContact O-CG 3.3Å; R272-N276 PolarHBondContact O-N 2.92Å; R272-N276 PolarHBondContact O-ND2 3.43Å
273E97.5Very high93.8Very high113 Ų11363.3 Ų63.353%0.52831%0.311SS..Hα-helixtrans-64.1-36.9174.9-70.2161138.700111.2P269 T270 N276 N277P269-E273 WeakPolarHBondContact CA-OE2 3.37Å; P269-E273 HydrophobicContact CB-CB 3.89Å; T270-E273 WeakPolarHBondContact CB-OE2 2.91Å; T270-E273 WeakPolarHBondContact CG2-OE2 3.23Å; T270-E273 PolarHBondContact N-OE2 3.14Å; T270-E273 WeakPolarHBondContact O-CB 3.24Å; T270-E273 PolarHBondContact O-N 3.31Å; T270-E273 WeakPolarHBondContact OG1-CG 3.49Å; T270-E273 PolarHBondContact OG1-N 3.19Å; T270-E273 PolarHBondContact OG1-OE2 3.05Å; E273-N276 PolarHBondContact O-N 2.7Å; E273-N277 PolarHBondContact O-N 2.97Å
274V98.1Very high94.3Very high1 Ų165.8 Ų65.81%0.00632%0.322CS..Hα-helixtrans-63.9-46.8173.4176.50000111.8L204 L256 L260 P269 T270 I271 R272 N276 N277 V280L204-V274 HydrophobicContact CD2-CG1 3.85Å; L256-V274 HydrophobicContact CD1-CG1 4.34Å; L260-V274 HydrophobicContact CD2-CG1 4.42Å; L260-V274 HydrophobicContact CD2-CG2 3.55Å; P269-V274 HydrophobicContact CB-CG2 4.02Å; P269-V274 HydrophobicContact CG-CG2 3.66Å; T270-V274 WeakPolarHBondContact O-CG2 3.4Å; T270-V274 PolarHBondContact O-N 2.72Å; I271-V274 HydrophobicContact CD1-CB 4.22Å; I271-V274 HydrophobicContact CD1-CG1 4.36Å; I271-V274 PolarHBondContact O-N 3.21Å; R272-V274 VanDerWaalsContact C-N 3.28Å; R272-V274 PolarHBondContact O-N 3.32Å; V274-N276 PolarHBondContact O-N 3.28Å; V274-N277 WeakPolarHBondContact O-CB 3.18Å; V274-N277 PolarHBondContact O-N 3.12Å; V274-N277 VanDerWaalsContact O-N 3.07Å; V274-V280 HydrophobicContact CG1-CG2 4.35Å; V274-V280 WeakPolarHBondContact O-CB 2.98Å
275M97.4Very high94.8Very high36 Ų3666.5 Ų66.518%0.17733%0.329CS..Hα-helixtrans-63-30.9178-73.5-68.5-6900112.7Y123 S126 S127 A130 I271 R272 V280 A281Y123-M275 HydrophobicContact CD2-CE 4.03Å; Y123-M275 HydrophobicContact CD2-SD 4.44Å; Y123-M275 HydrophobicContact CE2-CE 3.56Å; S126-M275 WeakPolarHBondContact CB-SD 3.07Å; S127-M275 WeakPolarHBondContact OG-CE 3.42Å; A130-M275 HydrophobicContact CB-CG 4.3Å; I271-M275 WeakPolarHBondContact O-CB 3.49Å; I271-M275 VanDerWaalsContact O-CG 3.27Å; I271-M275 WeakPolarHBondContact O-CG 2.88Å; I271-M275 PolarHBondContact O-N 2.95Å; R272-M275 PolarHBondContact O-N 3.02Å; M275-V280 HydrophobicContact SD-CG1 4.3Å; M275-A281 WeakPolarHBondContact O-CB 3.44Å
276N96.9Very high95.3Very high129 Ų12965.9 Ų65.969%0.6933%0.325SS*.THydrogen-bonded Turntrans-85.1-7.8176.1-69.1-20.7000113.4R272 E273 V274 H278R272-N276 WeakPolarHBondContact O-CB 3.25Å; R272-N276 VanDerWaalsContact O-CG 3.3Å; R272-N276 PolarHBondContact O-N 2.92Å; R272-N276 PolarHBondContact O-ND2 3.43Å; E273-N276 PolarHBondContact O-N 2.7Å; V274-N276 PolarHBondContact O-N 3.28Å; N276-H278 PolarHBondContact O-N 2.9Å
277N96.7Very high95.6Very high44 Ų4465.9 Ų65.924%0.23533%0.329CS..SBendtrans-62.2135.5175.4-178-80.1000109.7L256 E273 V274 W279 V280 A281L256-N277 HydrophobicContact CD1-CB 4.24Å; E273-N277 PolarHBondContact O-N 2.97Å; V274-N277 WeakPolarHBondContact O-CB 3.18Å; V274-N277 PolarHBondContact O-N 3.12Å; V274-N277 VanDerWaalsContact O-N 3.07Å; N277-W279 VanDerWaalsContact C-N 3.27Å; N277-W279 PolarHBondContact O-N 2.81Å; N277-W279 VanDerWaalsContact O-N 3.14Å; N277-W279 WeakPolarHBondContact OD1-CB 3.05Å; N277-W279 PolarHBondContact OD1-N 3.43Å; N277-V280 HydrophobicContact CB-CG2 4.49Å; N277-V280 PolarHBondContact O-N 3.36Å; N277-A281 WeakPolarHBondContact O-CB 2.95Å; N277-A281 PolarHBondContact O-N 3.39Å
278H95.1Very high95.7Very high111 Ų11162.4 Ų62.451%0.51433%0.325SS..Hα-helixtrans-51.4-42.5-174.8-173.6-76.4000113.6N276 V280 Q282N276-H278 PolarHBondContact O-N 2.9Å; H278-V280 VanDerWaalsContact C-N 3.33Å; H278-V280 PolarHBondContact O-N 2.94Å; H278-Q282 PolarHBondContact CD2-NE2 3.01Å; H278-Q282 VanDerWaalsContact CE1-CD 3.49Å; H278-Q282 PolarHBondContact CE1-OE1 3.34Å; H278-Q282 VanDerWaalsContact NE2-CD 3.25Å; H278-Q282 PolarHBondContact NE2-NE2 3.18Å; H278-Q282 VanDerWaalsContact NE2-NE2 3.18Å; H278-Q282 PolarHBondContact NE2-OE1 3.44Å; H278-Q282 VanDerWaalsContact NE2-OE1 3.13Å; H278-Q282 WeakPolarHBondContact O-CB 3.05Å; H278-Q282 PolarHBondContact O-N 3.27Å
279W97.1Very high95.6Very high4 Ų463 Ų632%0.01533%0.331CS..Hα-helixtrans-66.9-33.4-178.1-169.382.4000112.7E115 A118 A119 V122 T208 L212 A253 L256 N277 V286E115-W279 HydrophobicContact CG-CZ2 4.05Å; E115-W279 PolarHBondContact OE1-NE1 3.38Å; A118-W279 HydrophobicContact CB-CH2 4.41Å; A119-W279 VanDerWaalsContact CA-CH2 3.44Å; A119-W279 HydrophobicContact CB-CD2 4.25Å; A119-W279 HydrophobicContact CB-CE3 4.35Å; A119-W279 HydrophobicContact CB-CH2 3.85Å; A119-W279 HydrophobicContact CB-CZ2 3.68Å; A119-W279 HydrophobicContact CB-CZ3 4.18Å; V122-W279 HydrophobicContact CB-CH2 4.41Å; V122-W279 HydrophobicContact CB-CZ3 3.83Å; V122-W279 HydrophobicContact CG1-CZ3 3.94Å; V122-W279 HydrophobicContact CG2-CH2 4.12Å; V122-W279 HydrophobicContact CG2-CZ3 3.89Å; T208-W279 HydrophobicContact CG2-CH2 4.34Å; T208-W279 HydrophobicContact CG2-CZ3 4.2Å; L212-W279 HydrophobicContact CD1-CH2 4.32Å; L212-W279 HydrophobicContact CD1-CZ2 4.24Å; L212-W279 HydrophobicContact CD2-CH2 4.42Å; L212-W279 HydrophobicContact CD2-CZ2 4.03Å; A253-W279 HydrophobicContact CB-CD2 4.19Å; A253-W279 HydrophobicContact CB-CG 4.34Å; A253-W279 HydrophobicContact CB-CZ2 4.14Å; L256-W279 HydrophobicContact CD2-CD2 4.42Å; L256-W279 HydrophobicContact CD2-CE3 3.53Å; L256-W279 HydrophobicContact CD2-CZ3 4.05Å; N277-W279 VanDerWaalsContact C-N 3.27Å; N277-W279 PolarHBondContact O-N 2.81Å; N277-W279 VanDerWaalsContact O-N 3.14Å; N277-W279 WeakPolarHBondContact OD1-CB 3.05Å; N277-W279 PolarHBondContact OD1-N 3.43Å; W279-V286 HydrophobicContact CG-CG2 4.39Å
280V97.4Very high95.5Very high0 Ų066.5 Ų66.50%035%0.354CS..Hα-helixtrans-84.4-46.8178.6-179.30000111.2V122 Y123 L256 V274 M275 N277 H278 Q282 H283V122-V280 HydrophobicContact CG1-CG2 4.12Å; Y123-V280 HydrophobicContact CD2-CG1 4.09Å; L256-V280 HydrophobicContact CD2-CG2 3.63Å; V274-V280 HydrophobicContact CG1-CG2 4.35Å; V274-V280 WeakPolarHBondContact O-CB 2.98Å; M275-V280 HydrophobicContact SD-CG1 4.3Å; N277-V280 HydrophobicContact CB-CG2 4.49Å; N277-V280 PolarHBondContact O-N 3.36Å; H278-V280 VanDerWaalsContact C-N 3.33Å; H278-V280 PolarHBondContact O-N 2.94Å; V280-Q282 VanDerWaalsContact C-N 3.32Å; V280-Q282 PolarHBondContact O-N 3.41Å; V280-H283 WeakPolarHBondContact O-CB 2.99Å; V280-H283 PolarHBondContact O-N 3.29Å; V280-H283 PolarHBondContact O-ND1 3.28Å
281A96.6Very high95.2Very high52 Ų5263.2 Ų63.243%0.4333%0.333SS..Hα-helixtrans-63.2-38.9-178.900000111.8M275 N277M275-A281 WeakPolarHBondContact O-CB 3.44Å; N277-A281 WeakPolarHBondContact O-CB 2.95Å; N277-A281 PolarHBondContact O-N 3.39Å
282Q95.6Very high94.4Very high79 Ų7965 Ų6537%0.36935%0.353SS..THydrogen-bonded Turntrans-103.633.8179.1-54.5-1709.200112.7H278 V280 N284 N285 V286H278-Q282 PolarHBondContact CD2-NE2 3.01Å; H278-Q282 VanDerWaalsContact CE1-CD 3.49Å; H278-Q282 PolarHBondContact CE1-OE1 3.34Å; H278-Q282 VanDerWaalsContact NE2-CD 3.25Å; H278-Q282 PolarHBondContact NE2-NE2 3.18Å; H278-Q282 VanDerWaalsContact NE2-NE2 3.18Å; H278-Q282 PolarHBondContact NE2-OE1 3.44Å; H278-Q282 VanDerWaalsContact NE2-OE1 3.13Å; H278-Q282 WeakPolarHBondContact O-CB 3.05Å; H278-Q282 PolarHBondContact O-N 3.27Å; V280-Q282 VanDerWaalsContact C-N 3.32Å; V280-Q282 PolarHBondContact O-N 3.41Å; Q282-N284 PolarHBondContact O-N 2.76Å; Q282-N285 HydrophobicContact CB-CB 4.32Å; Q282-N285 WeakPolarHBondContact O-CA 3.46Å; Q282-N285 PolarHBondContact O-N 3.26Å; Q282-V286 PolarHBondContact O-N 3.26Å
283H95.8Very high93.5Very high22 Ų2257.6 Ų57.610%0.10233%0.325CS..G310 helixtrans-52.2-28-178.958.8-90.3000114.1A119 Y123 V280 N285A119-H283 HydrophobicContact CB-CB 3.8Å; Y123-H283 AromaticContact CD1-CE1 3.66Å; Y123-H283 AromaticContact CD2-CE1 3.57Å; Y123-H283 AromaticContact CD2-ND1 3.43Å; Y123-H283 WeakPolarHBondContact CD2-ND1 3.24Å; Y123-H283 AromaticContact CE1-CE1 3.87Å; Y123-H283 AromaticContact CE2-CE1 3.76Å; Y123-H283 AromaticContact CG-CE1 3.51Å; Y123-H283 AromaticContact CG-ND1 3.46Å; Y123-H283 AromaticContact CZ-CE1 3.92Å; V280-H283 WeakPolarHBondContact O-CB 2.99Å; V280-H283 PolarHBondContact O-N 3.29Å; V280-H283 PolarHBondContact O-ND1 3.28Å; H283-N285 VanDerWaalsContact C-N 3.3Å; H283-N285 PolarHBondContact O-N 2.96Å
284N94.5Very high92.3Very high107 Ų10753.8 Ų53.857%0.57231%0.309SS*.G310 helixtrans-73-18.5175.8-68.5-41.7000114.2Q282Q282-N284 PolarHBondContact O-N 2.76Å
285N94.7Very high90.6Very high122 Ų12260.1 Ų60.165%0.65234%0.34SS*.G310 helixtrans-104.70.8-179.6-58.7-21.3000112.6Q282 H283Q282-N285 HydrophobicContact CB-CB 4.32Å; Q282-N285 WeakPolarHBondContact O-CA 3.46Å; Q282-N285 PolarHBondContact O-N 3.26Å; H283-N285 VanDerWaalsContact C-N 3.3Å; H283-N285 PolarHBondContact O-N 2.96Å
286V94.5Very high89.2Confident12 Ų1261.9 Ų61.97%0.07335%0.347CS..SBendtrans-67136.2176.3172.90000109.1E115 S116 A119 W279 Q282E115-V286 HydrophobicContact CB-CG1 4.07Å; E115-V286 HydrophobicContact CG-CG1 3.7Å; S116-V286 VanDerWaalsContact CB-O 3.32Å; S116-V286 WeakPolarHBondContact CB-O 3.42Å; S116-V286 PolarHBondContact OG-O 3.21Å; A119-V286 HydrophobicContact CB-CB 4.06Å; A119-V286 HydrophobicContact CB-CG1 4.17Å; A119-V286 HydrophobicContact CB-CG2 3.77Å; W279-V286 HydrophobicContact CG-CG2 4.39Å; Q282-V286 PolarHBondContact O-N 3.26Å
287P91Very high87.6Confident75 Ų7556 Ų5649%0.48732%0.315SS..  trans-55.9145.5-178.6-26.535000113.2S116 T289S116-P287 PolarHBondContact N-O 3.32Å; P287-T289 PolarHBondContact O-N 3.29Å
288N92.9Very high85.8Confident115 Ų11558.6 Ų58.662%0.61533%0.332SS*.  trans-77.938.4172.3-68.6-38.8000112.1T114 S116 P290T114-N288 HydrophobicContact CG2-CB 4.28Å; S116-N288 WeakPolarHBondContact CB-OD1 3.33Å; N288-P290 VanDerWaalsContact O-CD 3.32Å; N288-P290 WeakPolarHBondContact O-CD 3.35Å
289T92.4Very high84.2Confident36 Ų3656.3 Ų56.322%0.22133%0.326CS..  trans-60.9122.2177.4-58.20000109T114 E115 P287T114-T289 CarbonylContact C-O 3.6Å; T114-T289 VanDerWaalsContact CA-O 3.3Å; T114-T289 WeakPolarHBondContact CA-O 3.4Å; E115-T289 PolarHBondContact N-O 3.01Å; P287-T289 PolarHBondContact O-N 3.29Å
290P91.8Very high82.9Confident97 Ų9764.5 Ų64.563%0.6336%0.362SS*.BIsolated β-bridgetrans-62.3139.1176.5-22.633.9000111.5N288N288-P290 VanDerWaalsContact O-CD 3.32Å; N288-P290 WeakPolarHBondContact O-CD 3.35Å
291L89.9Confident81.4Confident10 Ų1066.1 Ų66.15%0.05238%0.375CS..  trans-111.7138177.4-57.9171.8000109.8F113 T114 E115 A118 L212 V249 T293F113-L291 HydrophobicContact CD1-CB 4.4Å; F113-L291 HydrophobicContact CD1-CD1 3.77Å; F113-L291 HydrophobicContact CE1-CD1 3.86Å; F113-L291 WeakPolarHBondContact O-CB 3.32Å; F113-L291 PolarHBondContact O-N 2.63Å; T114-L291 VanDerWaalsContact C-CD1 3.46Å; T114-L291 WeakPolarHBondContact O-CD1 3.34Å; E115-L291 HydrophobicContact CB-CD2 4.37Å; A118-L291 HydrophobicContact CB-CD1 4.19Å; L212-L291 HydrophobicContact CD2-CD1 3.93Å; L212-L291 HydrophobicContact CD2-CD2 4.37Å; V249-L291 HydrophobicContact CG2-CD2 3.83Å; L291-T293 VanDerWaalsContact CB-OG1 3.28Å; L291-T293 WeakPolarHBondContact CB-OG1 3.5Å; L291-T293 PolarHBondContact O-N 3.24Å
292G80.3Confident80.2Confident45 Ų4564.5 Ų64.546%0.46436%0.358SS..  trans-77.524.3174.700000114.3N294 M295G292-N294 VanDerWaalsContact C-N 3.34Å; G292-N294 PolarHBondContact O-N 3.34Å; G292-M295 PolarHBondContact O-N 3.37Å
293T77.5Confident79.2Confident0 Ų065.6 Ų65.60%037%0.366CS..G310 helixtrans-63.9-37.5-167.8-51.50000112.3I107 F113 I210 L211 G214 L291 M295 F296 F297I107-T293 HydrophobicContact CG2-CG2 4.15Å; F113-T293 HydrophobicContact CD1-CG2 4.42Å; I210-T293 WeakPolarHBondContact O-CG2 3.48Å; L211-T293 WeakPolarHBondContact O-CG2 3.49Å; L211-T293 PolarHBondContact O-OG1 2.98Å; G214-T293 VanDerWaalsContact CA-CG2 3.48Å; G214-T293 WeakPolarHBondContact CA-O 3.47Å; L291-T293 VanDerWaalsContact CB-OG1 3.28Å; L291-T293 WeakPolarHBondContact CB-OG1 3.5Å; L291-T293 PolarHBondContact O-N 3.24Å; T293-M295 VanDerWaalsContact C-N 3.25Å; T293-M295 PolarHBondContact O-N 3.49Å; T293-F296 PolarHBondContact O-N 3.33Å; T293-F297 HydrophobicContact CG2-CD2 4.49Å; T293-F297 HydrophobicContact CG2-CE2 3.38Å; T293-F297 HydrophobicContact CG2-CZ 3.66Å; T293-F297 WeakPolarHBondContact O-CD2 3.36Å; T293-F297 WeakPolarHBondContact O-CE2 3.43Å
294N71.5Confident78Confident33 Ų3367.8 Ų67.818%0.17638%0.377CS..G310 helixtrans-60-30.1-17961-24.9000113.9G292 F296G292-N294 VanDerWaalsContact C-N 3.34Å; G292-N294 PolarHBondContact O-N 3.34Å; N294-F296 PolarHBondContact O-N 3.26Å; N294-F296 VanDerWaalsContact O-N 3.15Å
295M63.8Low77.1Confident133 Ų13363.2 Ų63.266%0.65535%0.352SS*.G310 helixtrans-65.4-20.4-173.8-65.6-62.6-74.900114.2G292 T293 T298G292-M295 PolarHBondContact O-N 3.37Å; T293-M295 VanDerWaalsContact C-N 3.25Å; T293-M295 PolarHBondContact O-N 3.49Å; M295-T298 PolarHBondContact O-OG1 3.04Å
296F66.7Low76.3Confident74 Ų7459.7 Ų59.733%0.32533%0.329SS..G310 helixtrans-103-19-171.9-68.8-79.6000114.4G214 C215 Q245 T293 N294 T298 T299G214-F296 WeakPolarHBondContact O-CB 3.36Å; C215-F296 WeakPolarHBondContact SG-CD1 3.31Å; C215-F296 VanDerWaalsContact SG-CG 3.56Å; Q245-F296 HydrophobicContact CG-CE2 4.02Å; Q245-F296 HydrophobicContact CG-CZ 4.38Å; T293-F296 PolarHBondContact O-N 3.33Å; N294-F296 PolarHBondContact O-N 3.26Å; N294-F296 VanDerWaalsContact O-N 3.15Å; F296-T298 PolarHBondContact O-N 2.98Å; F296-T298 VanDerWaalsContact O-N 3.17Å; F296-T299 PolarHBondContact O-OG1 2.93Å
297F64.6Low75.3Confident5 Ų563.5 Ų63.52%0.02235%0.346CS..THydrogen-bonded Turntrans-74.70.4-178.9-63.8-59.6000114.8F104 I107 K108 I210 T293 W302F104-F297 HydrophobicContact CB-CE1 4.41Å; F104-F297 HydrophobicContact CD1-CD1 4.38Å; F104-F297 AromaticContact CD1-CE1 3.41Å; F104-F297 HydrophobicContact CD1-CE1 3.41Å; F104-F297 VanDerWaalsContact CD1-CE1 3.41Å; F104-F297 HydrophobicContact CD1-CE2 4.21Å; F104-F297 AromaticContact CD1-CZ 3.32Å; F104-F297 HydrophobicContact CD1-CZ 3.32Å; F104-F297 HydrophobicContact CE1-CE1 4Å; F104-F297 AromaticContact CE1-CZ 3.79Å; F104-F297 HydrophobicContact CE1-CZ 3.79Å; F104-F297 HydrophobicContact CG-CE1 4.25Å; F104-F297 HydrophobicContact CG-CZ 4.44Å; I107-F297 HydrophobicContact CB-CE2 4.36Å; I107-F297 HydrophobicContact CG2-CD2 4.4Å; I107-F297 HydrophobicContact CG2-CE2 3.72Å; K108-F297 HydrophobicContact CB-CB 4.01Å; K108-F297 HydrophobicContact CB-CD2 4.4Å; K108-F297 HydrophobicContact CD-CB 3.99Å; K108-F297 WeakPolarHBondContact CE-O 3.45Å; K108-F297 HydrophobicContact CG-CB 3.94Å; K108-F297 PolarHBondContact NZ-O 3.14Å; K108-F297 VanDerWaalsContact NZ-O 3.09Å; I210-F297 HydrophobicContact CG2-CE1 3.82Å; I210-F297 HydrophobicContact CG2-CZ 3.94Å; T293-F297 HydrophobicContact CG2-CD2 4.49Å; T293-F297 HydrophobicContact CG2-CE2 3.38Å; T293-F297 HydrophobicContact CG2-CZ 3.66Å; T293-F297 WeakPolarHBondContact O-CD2 3.36Å; T293-F297 WeakPolarHBondContact O-CE2 3.43Å; F297-W302 AromaticContact CD1-CD2 3.71Å; F297-W302 HydrophobicContact CD1-CD2 3.71Å; F297-W302 AromaticContact CD1-CE2 3.97Å; F297-W302 AromaticContact CD1-CE3 3.63Å; F297-W302 HydrophobicContact CD1-CE3 3.63Å; F297-W302 HydrophobicContact CD1-CG 4.35Å; F297-W302 HydrophobicContact CD1-CH2 4.1Å; F297-W302 HydrophobicContact CD1-CZ2 4.15Å; F297-W302 AromaticContact CD1-CZ3 3.86Å; F297-W302 HydrophobicContact CD1-CZ3 3.86Å; F297-W302 HydrophobicContact CE1-CD2 4.16Å; F297-W302 AromaticContact CE1-CE3 3.72Å; F297-W302 HydrophobicContact CE1-CE3 3.72Å; F297-W302 AromaticContact CE1-CH2 3.56Å; F297-W302 HydrophobicContact CE1-CH2 3.56Å; F297-W302 AromaticContact CE1-CZ2 3.99Å; F297-W302 HydrophobicContact CE1-CZ2 3.99Å; F297-W302 AromaticContact CE1-CZ3 3.43Å; F297-W302 HydrophobicContact CE1-CZ3 3.43Å; F297-W302 VanDerWaalsContact CE1-CZ3 3.43Å
298T58.9Low74.3Confident98 Ų9861 Ų6160%0.60133%0.329SS*.THydrogen-bonded Turntrans-91.41.4-179.952.20000113.3M295 F296M295-T298 PolarHBondContact O-OG1 3.04Å; F296-T298 PolarHBondContact O-N 2.98Å; F296-T298 VanDerWaalsContact O-N 3.17Å
299T61.1Low73.6Confident63 Ų6355.9 Ų55.939%0.38730%0.301SS..SBendtrans-109.5151.8-168.165.70000113.1F296 A301 W302F296-T299 PolarHBondContact O-OG1 2.93Å; T299-A301 PolarHBondContact O-N 3.42Å; T299-A301 WeakPolarHBondContact OG1-CB 3.2Å; T299-W302 WeakPolarHBondContact O-CB 3.48Å; T299-W302 PolarHBondContact O-N 2.89Å
300K68.6Low72.9Confident177 Ų17756.6 Ų56.677%0.7730%0.3SS*.Hα-helixtrans-49.7-21.6167.8-73.6-177.5177178.90113.3W302 Q304K300-W302 PolarHBondContact O-N 3.47Å; K300-Q304 WeakPolarHBondContact O-CG 3.3Å; K300-Q304 PolarHBondContact O-N 3.14Å
301A66.7Low72Confident34 Ų3455.4 Ų55.428%0.28129%0.285SS..Hα-helixtrans-64.5-28.6176.900000112.6F219 T299 F305F219-A301 HydrophobicContact CE1-CB 4.46Å; T299-A301 PolarHBondContact O-N 3.42Å; T299-A301 WeakPolarHBondContact OG1-CB 3.2Å; A301-F305 WeakPolarHBondContact O-CB 3.47Å; A301-F305 PolarHBondContact O-N 2.99Å
302W72.2Confident71.1Confident18 Ų1855.6 Ų55.67%0.06829%0.288CS..Hα-helixtrans-67.9-48.1178.1-176.7-113.5000112.2F104 P144 I210 F297 T299 K300 Q304 F305 R306F104-W302 HydrophobicContact CB-CH2 4.24Å; F104-W302 HydrophobicContact CB-CZ2 3.57Å; F104-W302 AromaticContact CD1-CH2 3.67Å; F104-W302 HydrophobicContact CD1-CH2 3.67Å; F104-W302 AromaticContact CD1-CZ2 3.91Å; F104-W302 HydrophobicContact CD1-CZ2 3.91Å; F104-W302 HydrophobicContact CD2-CH2 4.01Å; F104-W302 AromaticContact CD2-CZ2 3.84Å; F104-W302 HydrophobicContact CD2-CZ2 3.84Å; F104-W302 AromaticContact CE1-CH2 3.91Å; F104-W302 HydrophobicContact CE1-CH2 3.91Å; F104-W302 HydrophobicContact CE2-CH2 4.21Å; F104-W302 HydrophobicContact CE2-CZ2 4.47Å; F104-W302 AromaticContact CG-CH2 3.68Å; F104-W302 HydrophobicContact CG-CH2 3.68Å; F104-W302 AromaticContact CG-CZ2 3.47Å; F104-W302 HydrophobicContact CG-CZ2 3.47Å; F104-W302 VanDerWaalsContact CG-CZ2 3.47Å; F104-W302 HydrophobicContact CZ-CH2 4.14Å; P144-W302 HydrophobicContact CB-CH2 4.48Å; P144-W302 HydrophobicContact CB-CZ2 4.16Å; P144-W302 HydrophobicContact CG-CH2 4.17Å; P144-W302 HydrophobicContact CG-CZ2 4.32Å; I210-W302 HydrophobicContact CD1-CZ3 4.37Å; I210-W302 HydrophobicContact CG2-CH2 3.84Å; I210-W302 HydrophobicContact CG2-CZ3 3.6Å; F297-W302 AromaticContact CD1-CD2 3.71Å; F297-W302 HydrophobicContact CD1-CD2 3.71Å; F297-W302 AromaticContact CD1-CE2 3.97Å; F297-W302 AromaticContact CD1-CE3 3.63Å; F297-W302 HydrophobicContact CD1-CE3 3.63Å; F297-W302 HydrophobicContact CD1-CG 4.35Å; F297-W302 HydrophobicContact CD1-CH2 4.1Å; F297-W302 HydrophobicContact CD1-CZ2 4.15Å; F297-W302 AromaticContact CD1-CZ3 3.86Å; F297-W302 HydrophobicContact CD1-CZ3 3.86Å; F297-W302 HydrophobicContact CE1-CD2 4.16Å; F297-W302 AromaticContact CE1-CE3 3.72Å; F297-W302 HydrophobicContact CE1-CE3 3.72Å; F297-W302 AromaticContact CE1-CH2 3.56Å; F297-W302 HydrophobicContact CE1-CH2 3.56Å; F297-W302 AromaticContact CE1-CZ2 3.99Å; F297-W302 HydrophobicContact CE1-CZ2 3.99Å; F297-W302 AromaticContact CE1-CZ3 3.43Å; F297-W302 HydrophobicContact CE1-CZ3 3.43Å; F297-W302 VanDerWaalsContact CE1-CZ3 3.43Å; T299-W302 WeakPolarHBondContact O-CB 3.48Å; T299-W302 PolarHBondContact O-N 2.89Å; K300-W302 PolarHBondContact O-N 3.47Å; W302-Q304 VanDerWaalsContact C-N 3.32Å; W302-Q304 PolarHBondContact O-N 3.27Å; W302-F305 HydrophobicContact CE3-CD1 4.01Å; W302-F305 HydrophobicContact CH2-CD1 4.19Å; W302-F305 HydrophobicContact CH2-CE1 4.27Å; W302-F305 AromaticContact CZ3-CD1 3.68Å; W302-F305 HydrophobicContact CZ3-CD1 3.68Å; W302-F305 HydrophobicContact CZ3-CE1 4.06Å; W302-F305 WeakPolarHBondContact O-CB 3.17Å; W302-F305 PolarHBondContact O-N 2.67Å; W302-F305 VanDerWaalsContact O-N 3.14Å; W302-R306 PolarHBondContact O-N 3.06Å
303D74.5Confident70.7Confident101 Ų10153.5 Ų53.554%0.5427%0.266SS..Hα-helixtrans-63-41.8177.8-63.1-32.3000111.1F305 R306 E307D303-F305 VanDerWaalsContact C-N 3.33Å; D303-F305 PolarHBondContact O-N 3Å; D303-R306 PolarHBondContact O-N 2.83Å; D303-E307 PolarHBondContact O-N 3.32Å
304Q70.5Confident70.5Confident68 Ų6858.1 Ų58.132%0.31829%0.287SS..Hα-helixtrans-58.7-46.1172.9-71.4177.6-7.400111.3G223 P225 K300 W302 R306 E307 I308G223-Q304 PolarHBondContact O-NE2 3.06Å; G223-Q304 PolarHBondContact O-OE1 3.47Å; P225-Q304 HydrophobicContact CB-CG 4.47Å; K300-Q304 WeakPolarHBondContact O-CG 3.3Å; K300-Q304 PolarHBondContact O-N 3.14Å; W302-Q304 VanDerWaalsContact C-N 3.32Å; W302-Q304 PolarHBondContact O-N 3.27Å; Q304-R306 VanDerWaalsContact C-N 3.34Å; Q304-R306 PolarHBondContact O-N 3.47Å; Q304-E307 PolarHBondContact O-N 3.15Å; Q304-I308 HydrophobicContact CB-CD1 4.49Å; Q304-I308 WeakPolarHBondContact O-CD1 3.39Å; Q304-I308 WeakPolarHBondContact O-CG1 3.48Å; Q304-I308 PolarHBondContact O-N 3.35Å
305F75.3Confident70.4Confident12 Ų1261.5 Ų61.55%0.05331%0.31CS..Hα-helixtrans-59.3-43.6177.3167.6-102.6000112.2P144 I206 I210 P216 A301 W302 D303 E307 I308 F309P144-F305 HydrophobicContact CG-CE1 4.29Å; I206-F305 HydrophobicContact CG2-CE2 4.15Å; I206-F305 HydrophobicContact CG2-CZ 3.72Å; I210-F305 HydrophobicContact CD1-CD1 4.2Å; I210-F305 HydrophobicContact CD1-CE1 3.29Å; I210-F305 HydrophobicContact CD1-CE2 4.13Å; I210-F305 HydrophobicContact CD1-CZ 3.26Å; P216-F305 HydrophobicContact CB-CD2 3.29Å; P216-F305 HydrophobicContact CB-CE2 3.33Å; P216-F305 HydrophobicContact CB-CG 3.98Å; P216-F305 HydrophobicContact CB-CZ 4.07Å; P216-F305 HydrophobicContact CG-CB 4.03Å; P216-F305 HydrophobicContact CG-CD1 4.45Å; P216-F305 HydrophobicContact CG-CD2 3.35Å; P216-F305 HydrophobicContact CG-CE2 3.95Å; P216-F305 HydrophobicContact CG-CG 3.65Å; A301-F305 WeakPolarHBondContact O-CB 3.47Å; A301-F305 PolarHBondContact O-N 2.99Å; W302-F305 HydrophobicContact CE3-CD1 4.01Å; W302-F305 HydrophobicContact CH2-CD1 4.19Å; W302-F305 HydrophobicContact CH2-CE1 4.27Å; W302-F305 AromaticContact CZ3-CD1 3.68Å; W302-F305 HydrophobicContact CZ3-CD1 3.68Å; W302-F305 HydrophobicContact CZ3-CE1 4.06Å; W302-F305 WeakPolarHBondContact O-CB 3.17Å; W302-F305 PolarHBondContact O-N 2.67Å; W302-F305 VanDerWaalsContact O-N 3.14Å; D303-F305 VanDerWaalsContact C-N 3.33Å; D303-F305 PolarHBondContact O-N 3Å; F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 3.26Å; F305-I308 PolarHBondContact O-N 3Å; F305-F309 HydrophobicContact CD2-CB 4.39Å; F305-F309 HydrophobicContact CE1-CB 4.15Å; F305-F309 HydrophobicContact CE1-CG 4.39Å; F305-F309 HydrophobicContact CE2-CB 3.79Å; F305-F309 HydrophobicContact CE2-CD2 4.25Å; F305-F309 HydrophobicContact CE2-CG 4.13Å; F305-F309 HydrophobicContact CZ-CB 3.63Å; F305-F309 HydrophobicContact CZ-CD1 4.2Å; F305-F309 HydrophobicContact CZ-CD2 4.04Å; F305-F309 AromaticContact CZ-CG 3.68Å; F305-F309 HydrophobicContact CZ-CG 3.68Å; F305-F309 VanDerWaalsContact O-CB 3.26Å; F305-F309 WeakPolarHBondContact O-CB 3.16Å; F305-F309 PolarHBondContact O-N 3.02Å
306R77.1Confident70.5Confident47 Ų4756.8 Ų56.818%0.17729%0.286CS..Hα-helixtrans-55.6-48178.8-72.7178.467.1151.94.5111.4E102 E145 W302 D303 Q304 F309 R310E102-R306 IonicContact OE1-CZ 3.68Å; E102-R306 IonicContact OE1-NH1 3.93Å; E102-R306 PolarHBondContact OE1-NH1 3.31Å; E102-R306 IonicContact OE1-NH2 2.67Å; E102-R306 PolarHBondContact OE1-NH2 3.45Å; E102-R306 IonicContact OE2-CZ 2.83Å; E102-R306 IonicContact OE2-NH1 3.19Å; E102-R306 PolarHBondContact OE2-NH1 3.46Å; E102-R306 IonicContact OE2-NH2 2.63Å; E145-R306 IonicContact OE2-CZ 3.93Å; E145-R306 IonicContact OE2-NE 3.71Å; E145-R306 IonicContact OE2-NH2 3.46Å; E145-R306 PolarHBondContact OE2-NH2 3.26Å; W302-R306 PolarHBondContact O-N 3.06Å; D303-R306 PolarHBondContact O-N 2.83Å; Q304-R306 VanDerWaalsContact C-N 3.34Å; Q304-R306 PolarHBondContact O-N 3.47Å; R306-F309 PolarHBondContact O-N 2.83Å; R306-R310 WeakPolarHBondContact O-CB 3.33Å; R306-R310 PolarHBondContact O-N 2.83Å
307E74.5Confident70.5Confident93 Ų9354.1 Ų54.144%0.43527%0.273SS..Hα-helixtrans-64.2-45.1178.7-67.2-50.9135.400111.9D303 Q304 F305 F309 R310 E311D303-E307 PolarHBondContact O-N 3.32Å; Q304-E307 PolarHBondContact O-N 3.15Å; F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 3.26Å; E307-F309 VanDerWaalsContact C-N 3.32Å; E307-F309 PolarHBondContact O-N 2.94Å; E307-R310 WeakPolarHBondContact O-CB 3.4Å; E307-R310 PolarHBondContact O-N 3.44Å; E307-R310 IonicContact OE1-CZ 3.15Å; E307-R310 IonicContact OE1-NH1 3.6Å; E307-R310 PolarHBondContact OE1-NH1 3.48Å; E307-R310 IonicContact OE2-CZ 3.72Å; E307-R310 IonicContact OE2-NH1 2.83Å; E307-R310 PolarHBondContact OE2-NH1 2.76Å; E307-E311 PolarHBondContact O-N 2.99Å
308I70.1Confident70.3Confident22 Ų2258.2 Ų58.211%0.11329%0.291CS..Hα-helixtrans-67.1-38-179.1-56.4154.9000111.5P225 I226 M230 Q304 F305 R310 E311 S312P225-I308 HydrophobicContact CB-CD1 4.07Å; P225-I308 HydrophobicContact CB-CG1 4.2Å; P225-I308 WeakPolarHBondContact O-CD1 3.37Å; P225-I308 WeakPolarHBondContact O-CG1 3.44Å; I226-I308 HydrophobicContact CG1-CG1 4.48Å; M230-I308 HydrophobicContact CE-CB 4.1Å; M230-I308 HydrophobicContact CE-CD1 3.91Å; M230-I308 HydrophobicContact CE-CG1 4.49Å; M230-I308 HydrophobicContact CE-CG2 3.27Å; M230-I308 HydrophobicContact SD-CD1 4.2Å; M230-I308 HydrophobicContact SD-CG2 4.37Å; Q304-I308 HydrophobicContact CB-CD1 4.49Å; Q304-I308 WeakPolarHBondContact O-CD1 3.39Å; Q304-I308 WeakPolarHBondContact O-CG1 3.48Å; Q304-I308 PolarHBondContact O-N 3.35Å; F305-I308 PolarHBondContact O-N 3Å; I308-R310 VanDerWaalsContact C-N 3.34Å; I308-E311 PolarHBondContact O-N 3.19Å; I308-S312 WeakPolarHBondContact O-CB 3.13Å; I308-S312 PolarHBondContact O-N 2.98Å
309F77Confident70Confident8 Ų858.7 Ų58.74%0.03529%0.286CS..Hα-helixtrans-65.8-42.3177.5-170.2-121.4000110.3L142 K143 I206 F305 R306 E307 E311 S312 L313L142-F309 WeakPolarHBondContact O-CE1 3.49Å; K143-F309 HydrophobicContact CB-CD1 3.79Å; K143-F309 HydrophobicContact CB-CE1 3.66Å; I206-F309 HydrophobicContact CB-CE2 3.8Å; I206-F309 HydrophobicContact CB-CZ 4.04Å; I206-F309 HydrophobicContact CG1-CE2 3.71Å; I206-F309 HydrophobicContact CG1-CZ 4.32Å; I206-F309 HydrophobicContact CG2-CD2 3.94Å; I206-F309 HydrophobicContact CG2-CE2 3.66Å; I206-F309 HydrophobicContact CG2-CZ 4.06Å; F305-F309 HydrophobicContact CD2-CB 4.39Å; F305-F309 HydrophobicContact CE1-CB 4.15Å; F305-F309 HydrophobicContact CE1-CG 4.39Å; F305-F309 HydrophobicContact CE2-CB 3.79Å; F305-F309 HydrophobicContact CE2-CD2 4.25Å; F305-F309 HydrophobicContact CE2-CG 4.13Å; F305-F309 HydrophobicContact CZ-CB 3.63Å; F305-F309 HydrophobicContact CZ-CD1 4.2Å; F305-F309 HydrophobicContact CZ-CD2 4.04Å; F305-F309 AromaticContact CZ-CG 3.68Å; F305-F309 HydrophobicContact CZ-CG 3.68Å; F305-F309 VanDerWaalsContact O-CB 3.26Å; F305-F309 WeakPolarHBondContact O-CB 3.16Å; F305-F309 PolarHBondContact O-N 3.02Å; R306-F309 PolarHBondContact O-N 2.83Å; E307-F309 VanDerWaalsContact C-N 3.32Å; E307-F309 PolarHBondContact O-N 2.94Å; F309-E311 PolarHBondContact O-N 3.13Å; F309-S312 PolarHBondContact O-N 3.06Å; F309-L313 HydrophobicContact CD1-CD1 4.16Å; F309-L313 HydrophobicContact CE1-CD1 3.8Å; F309-L313 HydrophobicContact CE1-CG 4.33Å; F309-L313 HydrophobicContact CE2-CD2 4.26Å; F309-L313 HydrophobicContact CE2-CG 4.33Å; F309-L313 HydrophobicContact CZ-CD1 4.07Å; F309-L313 HydrophobicContact CZ-CD2 4.05Å; F309-L313 HydrophobicContact CZ-CG 4.17Å; F309-L313 VanDerWaalsContact O-CG 3.32Å; F309-L313 WeakPolarHBondContact O-CG 3.44Å; F309-L313 PolarHBondContact O-N 3.36Å
310R77.8Confident69.5Low51 Ų5158.6 Ų58.619%0.19228%0.282CS..Hα-helixtrans-56.6-48.3172-173.7-174.2-73.9148-7.3111.5E145 R306 E307 I308 L313 Q314E145-R310 IonicContact OE1-CZ 2.7Å; E145-R310 IonicContact OE1-NE 3.66Å; E145-R310 PolarHBondContact OE1-NE 3.32Å; E145-R310 IonicContact OE1-NH2 2.63Å; E145-R310 PolarHBondContact OE1-NH2 3.17Å; E145-R310 IonicContact OE2-CZ 2.73Å; E145-R310 IonicContact OE2-NH2 3.79Å; E145-R310 PolarHBondContact OE2-NH2 3.41Å; R306-R310 WeakPolarHBondContact O-CB 3.33Å; R306-R310 PolarHBondContact O-N 2.83Å; E307-R310 WeakPolarHBondContact O-CB 3.4Å; E307-R310 PolarHBondContact O-N 3.44Å; E307-R310 IonicContact OE1-CZ 3.15Å; E307-R310 IonicContact OE1-NH1 3.6Å; E307-R310 PolarHBondContact OE1-NH1 3.48Å; E307-R310 IonicContact OE2-CZ 3.72Å; E307-R310 IonicContact OE2-NH1 2.83Å; E307-R310 PolarHBondContact OE2-NH1 2.76Å; I308-R310 VanDerWaalsContact C-N 3.34Å; R310-L313 PolarHBondContact O-N 2.95Å; R310-Q314 WeakPolarHBondContact O-CG 3.32Å; R310-Q314 PolarHBondContact O-N 3.1Å
311E73.3Confident68.4Low71 Ų7155 Ų5533%0.33228%0.279SS..Hα-helixtrans-63.6-41.9176-71.9-174.6-177.200113I226 E307 I308 F309 L313 Q314 T315I226-E311 WeakPolarHBondContact CD1-OE2 3.45Å; E307-E311 PolarHBondContact O-N 2.99Å; I308-E311 PolarHBondContact O-N 3.19Å; F309-E311 PolarHBondContact O-N 3.13Å; E311-L313 VanDerWaalsContact C-N 3.26Å; E311-L313 PolarHBondContact O-N 2.9Å; E311-Q314 WeakPolarHBondContact O-CB 3.3Å; E311-Q314 PolarHBondContact O-N 2.73Å; E311-Q314 VanDerWaalsContact O-N 3.15Å; E311-T315 PolarHBondContact O-N 2.95Å; E311-T315 PolarHBondContact O-OG1 3.03Å
312S72Confident67.2Low15 Ų1559.1 Ų59.111%0.10530%0.296CS..Hα-helixtrans-62.2-37.7177.7-1790000111I308 F309 T315 K316I308-S312 WeakPolarHBondContact O-CB 3.13Å; I308-S312 PolarHBondContact O-N 2.98Å; F309-S312 PolarHBondContact O-N 3.06Å; S312-T315 PolarHBondContact O-OG1 3.47Å; S312-K316 WeakPolarHBondContact O-CB 3.46Å; S312-K316 WeakPolarHBondContact O-CG 3.24Å; S312-K316 PolarHBondContact O-N 3.34Å
313L71.8Confident65.6Low0 Ų062.6 Ų62.60%032%0.319CS..Hα-helixtrans-66.9-41.3174.6-67.6176.1000111.2L142 K143 S203 F309 R310 E311 T315 K316 R317L142-L313 WeakPolarHBondContact O-CD1 3.38Å; K143-L313 HydrophobicContact CB-CD1 4.08Å; S203-L313 WeakPolarHBondContact OG-CD2 3.26Å; F309-L313 HydrophobicContact CD1-CD1 4.16Å; F309-L313 HydrophobicContact CE1-CD1 3.8Å; F309-L313 HydrophobicContact CE1-CG 4.33Å; F309-L313 HydrophobicContact CE2-CD2 4.26Å; F309-L313 HydrophobicContact CE2-CG 4.33Å; F309-L313 HydrophobicContact CZ-CD1 4.07Å; F309-L313 HydrophobicContact CZ-CD2 4.05Å; F309-L313 HydrophobicContact CZ-CG 4.17Å; F309-L313 VanDerWaalsContact O-CG 3.32Å; F309-L313 WeakPolarHBondContact O-CG 3.44Å; F309-L313 PolarHBondContact O-N 3.36Å; R310-L313 PolarHBondContact O-N 2.95Å; E311-L313 VanDerWaalsContact C-N 3.26Å; E311-L313 PolarHBondContact O-N 2.9Å; L313-T315 PolarHBondContact O-N 3.45Å; L313-K316 CarbonylContact O-C 3.53Å; L313-K316 PolarHBondContact O-N 3.05Å; L313-R317 VanDerWaalsContact O-CG 3.25Å; L313-R317 WeakPolarHBondContact O-CG 3.38Å; L313-R317 PolarHBondContact O-N 3.28Å
314Q72.3Confident63.8Low97 Ų9762.7 Ų62.745%0.45333%0.325SS..Hα-helixtrans-59-45.8175.1-70.6175.86.500112R310 E311 K316 R317R310-Q314 WeakPolarHBondContact O-CG 3.32Å; R310-Q314 PolarHBondContact O-N 3.1Å; E311-Q314 WeakPolarHBondContact O-CB 3.3Å; E311-Q314 PolarHBondContact O-N 2.73Å; E311-Q314 VanDerWaalsContact O-N 3.15Å; Q314-K316 VanDerWaalsContact C-N 3.33Å; Q314-K316 PolarHBondContact O-N 3.44Å; Q314-R317 WeakPolarHBondContact O-CB 3.34Å; Q314-R317 PolarHBondContact O-N 2.7Å
315T68.7Low62.6Low105 Ų10565.8 Ų65.864%0.64435%0.349SS*.Hα-helixtrans-69.3-28.7178.658.90000113.8E311 S312 L313 R317E311-T315 PolarHBondContact O-N 2.95Å; E311-T315 PolarHBondContact O-OG1 3.03Å; S312-T315 PolarHBondContact O-OG1 3.47Å; L313-T315 PolarHBondContact O-N 3.45Å; T315-R317 VanDerWaalsContact C-N 3.32Å
316K65.9Low61.1Low34 Ų3472.8 Ų72.815%0.14839%0.386CS..Hα-helixtrans-82.5-6.6174.4-73.8-172.1179.4-159.60113.4Y195 W202 S312 L313 Q314Y195-K316 WeakPolarHBondContact CE1-O 3.41Å; Y195-K316 PolarHBondContact OH-O 2.95Å; W202-K316 VanDerWaalsContact NE1-NZ 3.15Å; S312-K316 WeakPolarHBondContact O-CB 3.46Å; S312-K316 WeakPolarHBondContact O-CG 3.24Å; S312-K316 PolarHBondContact O-N 3.34Å; L313-K316 CarbonylContact O-C 3.53Å; L313-K316 PolarHBondContact O-N 3.05Å; Q314-K316 VanDerWaalsContact C-N 3.33Å; Q314-K316 PolarHBondContact O-N 3.44Å
317R67Low59.8Low17 Ų1776.5 Ų76.56%0.06441%0.407CS..SBendtrans-83.3128.2168.9-71.3162.8-16316314.2108.1R140 D141 F165 L313 Q314 T315 E319R140-R317 HydrophobicContact CB-CG 4.38Å; R140-R317 PolarHBondContact O-NE 3.29Å; R140-R317 PolarHBondContact O-NH2 3.15Å; D141-R317 IonicContact OD1-CZ 3.97Å; D141-R317 IonicContact OD1-NH1 2.84Å; D141-R317 IonicContact OD1-NH2 2.93Å; D141-R317 PolarHBondContact OD1-NH2 3.36Å; F165-R317 VanDerWaalsContact CD2-NH1 3.3Å; F165-R317 VanDerWaalsContact CE2-NH1 3.27Å; L313-R317 VanDerWaalsContact O-CG 3.25Å; L313-R317 WeakPolarHBondContact O-CG 3.38Å; L313-R317 PolarHBondContact O-N 3.28Å; Q314-R317 WeakPolarHBondContact O-CB 3.34Å; Q314-R317 PolarHBondContact O-N 2.7Å; T315-R317 VanDerWaalsContact C-N 3.32Å; R317-E319 PolarHBondContact O-N 2.93Å
318K60.1Low58.9Low91 Ų9176.7 Ų76.740%0.39642%0.415SS..  trans-77.2103.5159.6-74.8-177.1-178.8179.60107.5F192 Y195 H320F192-K318 HydrophobicContact CD1-CD 4.23Å; F192-K318 HydrophobicContact CE1-CD 4.1Å; Y195-K318 HydrophobicContact CD1-CD 4.23Å; Y195-K318 HydrophobicContact CD1-CG 4.21Å; Y195-K318 HydrophobicContact CE1-CB 4.38Å; Y195-K318 HydrophobicContact CE1-CD 4.17Å; Y195-K318 HydrophobicContact CE1-CG 3.75Å; K318-H320 VanDerWaalsContact C-N 3.3Å; K318-H320 PolarHBondContact O-CD2 3.47Å; K318-H320 PolarHBondContact O-N 3.24Å
319E53.6Low58.3Low108 Ų10881.7 Ų81.751%0.50544%0.441SS..  trans-70.990.1167.1-76.8-160.1162.600109.6R317 S321 N322R317-E319 PolarHBondContact O-N 2.93Å; E319-S321 PolarHBondContact O-N 3.27Å; E319-S321 VanDerWaalsContact O-N 3.16Å; E319-N322 PolarHBondContact O-N 3.48Å; E319-N322 PolarHBondContact OE2-ND2 3.01Å
320H51.1Low57.8Low62 Ų6288 Ų8829%0.28748%0.475SS..THydrogen-bonded Turntrans-64.9-14.6178.8-67.5-61000114.2F192 K318 N322F192-H320 AromaticContact CD1-CE1 3.45Å; F192-H320 VanDerWaalsContact CD1-CE1 3.45Å; F192-H320 WeakPolarHBondContact CD1-CE1 3.45Å; F192-H320 AromaticContact CD1-NE2 3.86Å; F192-H320 AromaticContact CE1-CE1 3.5Å; F192-H320 VanDerWaalsContact CE1-CE1 3.5Å; F192-H320 WeakPolarHBondContact CE1-CE1 3.49Å; K318-H320 VanDerWaalsContact C-N 3.3Å; K318-H320 PolarHBondContact O-CD2 3.47Å; K318-H320 PolarHBondContact O-N 3.24Å; H320-N322 VanDerWaalsContact C-N 3.27Å; H320-N322 PolarHBondContact O-N 2.77Å
321S44.8Very low57.2Low101 Ų10188.2 Ų88.271%0.70649%0.487SS*.THydrogen-bonded Turntrans-73.6-17.517639.30000113.6E319E319-S321 PolarHBondContact O-N 3.27Å; E319-S321 VanDerWaalsContact O-N 3.16Å
322N41.7Very low56.4Low120 Ų12086.1 Ų86.164%0.64248%0.48SS*.SBendtrans-124.912.6-174.6-75.4-25.3000113.9E319 H320 P324E319-N322 PolarHBondContact O-N 3.48Å; E319-N322 PolarHBondContact OE2-ND2 3.01Å; H320-N322 VanDerWaalsContact C-N 3.27Å; H320-N322 PolarHBondContact O-N 2.77Å; N322-P324 WeakPolarHBondContact O-CD 3.45Å
323V39.2Very low56Low91 Ų9194.4 Ų94.455%0.55252%0.515SS*.  trans-71.5112.3169.9-175.80000106.4T325V323-T325 PolarHBondContact O-N 2.86Å
324P35.4Very low56.3Low103 Ų10397.6 Ų97.667%0.66953%0.532SS*.  trans-61.2117.5171.2-1127.1000105.6N322 L326N322-P324 WeakPolarHBondContact O-CD 3.45Å; P324-L326 VanDerWaalsContact C-N 3.27Å; P324-L326 PolarHBondContact O-N 3.23Å
325T45.5Very low56.5Low133 Ų13398.2 Ų98.282%0.81654%0.544SS*.  trans-62101.5166.4-410000105.1V323 M327V323-T325 PolarHBondContact O-N 2.86Å; T325-M327 PolarHBondContact O-N 2.93Å
326L45.2Very low56.7Low159 Ų15999 Ų9983%0.83254%0.544SS*.  trans-57112.7174.8-75.6170.1000105.8P324P324-L326 VanDerWaalsContact C-N 3.27Å; P324-L326 PolarHBondContact O-N 3.23Å
327M47.9Very low57Low126 Ų12699.6 Ų99.662%0.62155%0.548SS*.  trans-56.4148.7170.9-62.3-178.8-162.600107.2T325 A331 S332T325-M327 PolarHBondContact O-N 2.93Å; M327-A331 HydrophobicContact CB-CB 3.93Å; M327-S332 PolarHBondContact O-OG 3.41Å
328T56.3Low57.4Low97 Ų97102.7 Ų102.760%0.59557%0.565SS**  trans-51.6152.9170.456.80000109.6D330 A331 S332T328-D330 PolarHBondContact O-N 3.11Å; T328-A331 CarbonylContact O-C 3.44Å; T328-A331 PolarHBondContact O-N 2.9Å; T328-A331 WeakPolarHBondContact OG1-CB 3.37Å; T328-A331 PolarHBondContact OG1-N 3.15Å; T328-S332 WeakPolarHBondContact O-CB 3.45Å; T328-S332 PolarHBondContact O-N 3.15Å; T328-S332 PolarHBondContact O-OG 2.83Å
329L58.1Low58.1Low126 Ų126105.2 Ų105.266%0.6658%0.576SS**THydrogen-bonded Turntrans-55.4-27.5-178.3-120.3116.6000112.5L337L329-L337 HydrophobicContact CD2-CD2 4.12Å
330D65.4Low59Low142 Ų142108.8 Ų108.876%0.75959%0.585SS**THydrogen-bonded Turntrans-76-36.4176.7-58.9-40.6000113T328T328-D330 PolarHBondContact O-N 3.11Å
331A65.7Low60.1Low54 Ų54110 Ų11045%0.44659%0.59SS.*THydrogen-bonded Turntrans-83.6-18.6176.200000113.3M327 T328 K333M327-A331 HydrophobicContact CB-CB 3.93Å; T328-A331 CarbonylContact O-C 3.44Å; T328-A331 PolarHBondContact O-N 2.9Å; T328-A331 WeakPolarHBondContact OG1-CB 3.37Å; T328-A331 PolarHBondContact OG1-N 3.15Å; A331-K333 PolarHBondContact O-N 3.4Å
332S56.7Low61.3Low27 Ų27110 Ų11019%0.18958%0.581CS.*  trans-73.2120.9-179.8-69.50000112.3M327 T328M327-S332 PolarHBondContact O-OG 3.41Å; T328-S332 WeakPolarHBondContact O-CB 3.45Å; T328-S332 PolarHBondContact O-N 3.15Å; T328-S332 PolarHBondContact O-OG 2.83Å
333K64.5Low62.4Low190 Ų190109 Ų10983%0.82658%0.575SS**  trans-114.2110.1168.6-71.4-175.8-178.6178.30110.1A331A331-K333 PolarHBondContact O-N 3.4Å
334N76.6Confident63.5Low66 Ų66110.9 Ų110.935%0.35358%0.578SS.*  trans-136.3158.5167110.2-9.9000110.7L336 L337 I338N334-L336 VanDerWaalsContact C-N 3.29Å; N334-L336 PolarHBondContact O-N 2.92Å; N334-L336 VanDerWaalsContact OD1-CA 3.3Å; N334-L336 WeakPolarHBondContact OD1-CA 3.21Å; N334-L336 VanDerWaalsContact OD1-CB 3.26Å; N334-L336 WeakPolarHBondContact OD1-CB 3.09Å; N334-L336 PolarHBondContact OD1-N 3.29Å; N334-L337 PolarHBondContact O-N 3.38Å; N334-L337 VanDerWaalsContact O-N 3.11Å; N334-L337 PolarHBondContact OD1-N 3.44Å; N334-I338 WeakPolarHBondContact O-CG1 3.25Å; N334-I338 PolarHBondContact O-N 2.77Å
335P76.3Confident64.6Low110 Ų110114.6 Ų114.671%0.71458%0.583SS**Hα-helixtrans-55.7-37.1-176.9-25.934.2000114.6K339P335-K339 VanDerWaalsContact O-CB 3.31Å; P335-K339 WeakPolarHBondContact O-CB 3.43Å; P335-K339 PolarHBondContact O-N 2.99Å
336L74.2Confident65.1Low122 Ų122112 Ų11264%0.63957%0.571SS**Hα-helixtrans-69.5-43176-68.4164.3000112.2N334 K339 R340N334-L336 VanDerWaalsContact C-N 3.29Å; N334-L336 PolarHBondContact O-N 2.92Å; N334-L336 VanDerWaalsContact OD1-CA 3.3Å; N334-L336 WeakPolarHBondContact OD1-CA 3.21Å; N334-L336 VanDerWaalsContact OD1-CB 3.26Å; N334-L336 WeakPolarHBondContact OD1-CB 3.09Å; N334-L336 PolarHBondContact OD1-N 3.29Å; L336-K339 PolarHBondContact O-N 2.96Å; L336-R340 WeakPolarHBondContact O-CG 3.31Å; L336-R340 PolarHBondContact O-N 3.41Å
337L71.5Confident65.1Low46 Ų46108.5 Ų108.524%0.24155%0.553CS.*Hα-helixtrans-64.7-40.8176.6-83167.7000111.3L329 N334 R340 K341L329-L337 HydrophobicContact CD2-CD2 4.12Å; N334-L337 PolarHBondContact O-N 3.38Å; N334-L337 VanDerWaalsContact O-N 3.11Å; N334-L337 PolarHBondContact OD1-N 3.44Å; L337-R340 PolarHBondContact O-N 3.23Å; L337-K341 WeakPolarHBondContact O-CB 3.48Å; L337-K341 WeakPolarHBondContact O-CG 3.27Å; L337-K341 PolarHBondContact O-N 3.02Å
338I74.8Confident65.2Low83 Ų83107.3 Ų107.343%0.42656%0.555SS.*Hα-helixtrans-63.2-48.5175.4-67.1165.9000109.9N334 R340 K341 I342N334-I338 WeakPolarHBondContact O-CG1 3.25Å; N334-I338 PolarHBondContact O-N 2.77Å; I338-R340 VanDerWaalsContact C-N 3.32Å; I338-R340 PolarHBondContact O-N 2.91Å; I338-K341 PolarHBondContact O-N 3.38Å; I338-I342 HydrophobicContact CG2-CD1 3.71Å; I338-I342 HydrophobicContact CG2-CG1 4.42Å; I338-I342 VanDerWaalsContact O-CG1 3.27Å; I338-I342 WeakPolarHBondContact O-CG1 3.42Å; I338-I342 PolarHBondContact O-N 3.14Å
339K74.8Confident64.9Low143 Ų143110.6 Ų110.662%0.62256%0.563SS**Hα-helixtrans-59.7-39.8178.1-165.7173.3-175.8176.10112.4P335 L336 N343P335-K339 VanDerWaalsContact O-CB 3.31Å; P335-K339 WeakPolarHBondContact O-CB 3.43Å; P335-K339 PolarHBondContact O-N 2.99Å; L336-K339 PolarHBondContact O-N 2.96Å; K339-N343 PolarHBondContact O-N 2.91Å; K339-N343 VanDerWaalsContact O-N 3.09Å
340R73.5Confident64.3Low184 Ų184109.5 Ų109.569%0.69456%0.558SS**Hα-helixtrans-70.8-39.3175.7-75.6-175.4174.5173.4-0.8113.3L336 L337 I338 I342 N343 Q344L336-R340 WeakPolarHBondContact O-CG 3.31Å; L336-R340 PolarHBondContact O-N 3.41Å; L337-R340 PolarHBondContact O-N 3.23Å; I338-R340 VanDerWaalsContact C-N 3.32Å; I338-R340 PolarHBondContact O-N 2.91Å; R340-I342 VanDerWaalsContact C-N 3.35Å; R340-N343 PolarHBondContact O-N 3.36Å; R340-Q344 WeakPolarHBondContact O-CG 3.44Å; R340-Q344 PolarHBondContact O-N 3.44Å
341K73.2Confident63.2Low88 Ų88108.9 Ų108.938%0.38356%0.555SS.*Hα-helixtrans-65.8-36174.8-77.8-177.9178.4179.20112L337 I338 K345L337-K341 WeakPolarHBondContact O-CB 3.48Å; L337-K341 WeakPolarHBondContact O-CG 3.27Å; L337-K341 PolarHBondContact O-N 3.02Å; I338-K341 PolarHBondContact O-N 3.38Å; K341-K345 PolarHBondContact O-N 3.09Å; K341-K345 VanDerWaalsContact O-N 3.17Å
342I70Confident62.2Low101 Ų101111.3 Ų111.352%0.51857%0.569SS.*Hα-helixtrans-65.4-47.8173.8-68.1167000110.2I338 R340 Q344 K345 S346I338-I342 HydrophobicContact CG2-CD1 3.71Å; I338-I342 HydrophobicContact CG2-CG1 4.42Å; I338-I342 VanDerWaalsContact O-CG1 3.27Å; I338-I342 WeakPolarHBondContact O-CG1 3.42Å; I338-I342 PolarHBondContact O-N 3.14Å; R340-I342 VanDerWaalsContact C-N 3.35Å; I342-Q344 VanDerWaalsContact C-N 3.29Å; I342-Q344 PolarHBondContact O-N 2.98Å; I342-K345 PolarHBondContact O-N 3.14Å; I342-K345 VanDerWaalsContact O-N 3.14Å; I342-S346 PolarHBondContact O-N 3.33Å; I342-S346 PolarHBondContact O-OG 3.17Å; I342-S346 VanDerWaalsContact O-OG 3.14Å
343N66.6Low61.4Low97 Ų97118 Ų11852%0.51960%0.597SS.*Hα-helixtrans-64.2-29.8178.8-762.2000113.9K339 R340 S346K339-N343 PolarHBondContact O-N 2.91Å; K339-N343 VanDerWaalsContact O-N 3.09Å; R340-N343 PolarHBondContact O-N 3.36Å; N343-S346 WeakPolarHBondContact CA-OG 3.47Å; N343-S346 PolarHBondContact O-OG 3.32Å
344Q62Low60.3Low131 Ų131118.2 Ų118.261%0.61260%0.598SS**Hα-helixtrans-75-32.5174-78.8178.1-11.900112.8R340 I342R340-Q344 WeakPolarHBondContact O-CG 3.44Å; R340-Q344 PolarHBondContact O-N 3.44Å; I342-Q344 VanDerWaalsContact C-N 3.29Å; I342-Q344 PolarHBondContact O-N 2.98Å
345K58.8Low58.6Low181 Ų181121.3 Ų121.379%0.78762%0.619SS**Hα-helixtrans-78-29.7176.2-77.1-173.2175.1-170.30113.2K341 I342 N347K341-K345 PolarHBondContact O-N 3.09Å; K341-K345 VanDerWaalsContact O-N 3.17Å; I342-K345 PolarHBondContact O-N 3.14Å; I342-K345 VanDerWaalsContact O-N 3.14Å; K345-N347 VanDerWaalsContact C-N 3.32Å
346S54.9Low56.5Low80 Ų80124 Ų12456%0.55963%0.627SS**SBendtrans-83.9-3.1179.562.60000113.9I342 N343I342-S346 PolarHBondContact O-N 3.33Å; I342-S346 PolarHBondContact O-OG 3.17Å; I342-S346 VanDerWaalsContact O-OG 3.14Å; N343-S346 WeakPolarHBondContact CA-OG 3.47Å; N343-S346 PolarHBondContact O-OG 3.32Å
347N45.9Very low54.9Low85 Ų85129.9 Ų129.946%0.45566%0.659SS.*  trans-146.672.1-177.9-131.23.1000112.1K345 E349K345-N347 VanDerWaalsContact C-N 3.32Å; N347-E349 PolarHBondContact O-N 3.27Å
348P50.4Low54.1Low101 Ų101134.1 Ų134.166%0.65668%0.679SS**G310 helixtrans-66.7-20.4-179.3-13.328000113.1
349E49Very low53Low165 Ų165136.8 Ų136.877%0.77169%0.693SS**G310 helixtrans-92-2.3-164.9-67.2-173.7156.300115.5N347N347-E349 PolarHBondContact O-N 3.27Å
350N46.4Very low51.8Low104 Ų104136.4 Ų136.456%0.55670%0.697SS**G310 helixtrans-1040.7-174.2-107-27.2000115.8
351N42.5Very low50.6Low129 Ų129133.6 Ų133.669%0.6970%0.697SS**SBendtrans-101.5-2.3-177.6-85.8-15.4000114.8
352S43Very low49.1Very low105 Ų105136.5 Ų136.573%0.73472%0.716SS**SBendtrans-90-4-177.7-40.10000114.2
353Q40.4Very low47.7Very low167 Ų167138.9 Ų138.978%0.7873%0.73SS**SBendtrans-119.114.9-169-84.3171.6-19.400115.3
354K41.4Very low46.4Very low195 Ų195141.9 Ų141.985%0.84875%0.745SS**SBendtrans-12014.4179.6-81.6-170.4175.7-178.50116
355V40.9Very low45.2Very low131 Ų131142.7 Ų142.779%0.79476%0.755SS**SBendtrans-124.286.5171.8-172.20000106.6
356L33.3Very low44.1Very low167 Ų167139.5 Ų139.587%0.87475%0.752SS**  trans164.586.1163.5-89.4160.3000107.3
357N40.8Very low43.1Very low245 Ų245144.9 Ų144.9100%1.3177%0.77SS**  trans178.50146.7-92.1-9.9000109.9

Retrieved 357 of 357 residues in 76.7 ms (Link to these results)

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