A0A087XMP1_POEFO Loading...

MTSS I-BAR domain containing 2b

AlphaFold DB , UniProt , Accession A0A087XMP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 837 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
1M39.8Very low48.3Very low206 Ų20683.3 Ų83.3100%1.01546%0.463SS*.  0-76.60-75.5177.3172.300111.5V3 S4M1-V3 PolarHBondContact O-N 3.36Å; M1-S4 WeakPolarHBondContact O-CB 2.99Å; M1-S4 PolarHBondContact O-N 3.26Å
2F38.6Very low49.2Very low124 Ų12481.6 Ų81.654%0.54446%0.46SS..Hα-helixtrans-34-59.3-173.8-75.5-76.9000116.5S4 N5 N6F2-S4 PolarHBondContact O-N 2.57Å; F2-N5 PolarHBondContact O-N 3.18Å; F2-N6 VanDerWaalsContact O-CG 3.24Å; F2-N6 PolarHBondContact O-N 3.28Å; F2-N6 PolarHBondContact O-OD1 2.88Å
3V43.1Very low50.4Low70 Ų7075.8 Ų75.842%0.42443%0.428SS..Hα-helixtrans-53.6-33-178.1-176.30000113.7M1 S7M1-V3 PolarHBondContact O-N 3.36Å; V3-S7 PolarHBondContact O-N 2.87Å; V3-S7 PolarHBondContact O-OG 2.57Å
4S41.6Very low51.7Low87 Ų8775.8 Ų75.861%0.60842%0.422SS*.Hα-helixtrans-71.8-36.8179-55.10000113M1 F2M1-S4 WeakPolarHBondContact O-CB 2.99Å; M1-S4 PolarHBondContact O-N 3.26Å; F2-S4 PolarHBondContact O-N 2.57Å
5N45.4Very low53.2Low106 Ų10676.1 Ų76.157%0.56743%0.43SS*.Hα-helixtrans-73-41.2175.1-7026.4000110.3F2 S7 S8 D9F2-N5 PolarHBondContact O-N 3.18Å; N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 3.23Å; N5-S8 WeakPolarHBondContact O-CA 3.47Å; N5-S8 VanDerWaalsContact O-CB 3.23Å; N5-S8 WeakPolarHBondContact O-CB 3.12Å; N5-S8 PolarHBondContact O-N 3.26Å; N5-D9 PolarHBondContact O-N 3.35Å
6N49.9Very low55.2Low7 Ų772.8 Ų72.84%0.03741%0.413CS..Hα-helixtrans-57.7-40.7-179.4-61.47.1000111.5F2 S8 Y10 E170 V174F2-N6 VanDerWaalsContact O-CG 3.24Å; F2-N6 PolarHBondContact O-N 3.28Å; F2-N6 PolarHBondContact O-OD1 2.88Å; N6-S8 VanDerWaalsContact C-N 3.3Å; N6-S8 PolarHBondContact O-N 3.36Å; N6-Y10 WeakPolarHBondContact O-CD2 3.42Å; N6-Y10 PolarHBondContact O-N 3.21Å; N6-E170 PolarHBondContact ND2-OE2 3.4Å; N6-V174 HydrophobicContact CB-CG2 4.45Å; N6-V174 WeakPolarHBondContact OD1-CG2 3.49Å
7S51.8Low57.3Low79 Ų7969.6 Ų69.655%0.55239%0.394SS*.Hα-helixtrans-64.3-30.8171.7-66.40000113.7V3 N5 L11V3-S7 PolarHBondContact O-N 2.87Å; V3-S7 PolarHBondContact O-OG 2.57Å; N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 3.23Å; S7-L11 WeakPolarHBondContact O-CB 3.5Å; S7-L11 PolarHBondContact O-N 3.2Å
8S52.4Low59.3Low71 Ų7170.4 Ų70.450%0.49740%0.402SS..Hα-helixtrans-71.8-41.7179-159.30000112.2N5 N6 L11 C12N5-S8 WeakPolarHBondContact O-CA 3.47Å; N5-S8 VanDerWaalsContact O-CB 3.23Å; N5-S8 WeakPolarHBondContact O-CB 3.12Å; N5-S8 PolarHBondContact O-N 3.26Å; N6-S8 VanDerWaalsContact C-N 3.3Å; N6-S8 PolarHBondContact O-N 3.36Å; S8-L11 PolarHBondContact O-N 2.82Å; S8-C12 PolarHBondContact O-N 2.88Å
9D54.2Low61.2Low45 Ų4572.2 Ų72.224%0.24141%0.414CS..Hα-helixtrans-68-44.4-179.3-58.6-20.7000111.4N5 L11 C12 C13N5-D9 PolarHBondContact O-N 3.35Å; D9-L11 VanDerWaalsContact C-N 3.31Å; D9-L11 PolarHBondContact O-N 2.9Å; D9-C12 PolarHBondContact O-N 3.01Å; D9-C13 PolarHBondContact O-N 3.37Å
10Y57.3Low62.9Low20 Ų2069.7 Ų69.78%0.07840%0.397CS..Hα-helixtrans-65.1-35.1173.2-70.8-55.4000112.4N6 Q14 L112 H116 A173 A177N6-Y10 WeakPolarHBondContact O-CD2 3.42Å; N6-Y10 PolarHBondContact O-N 3.21Å; Y10-Q14 PolarHBondContact O-N 3.01Å; Y10-L112 HydrophobicContact CE1-CB 4.11Å; Y10-H116 HydrophobicContact CE2-CB 4.4Å; Y10-A173 WeakPolarHBondContact OH-CB 3.43Å; Y10-A173 PolarHBondContact OH-O 2.97Å; Y10-A173 VanDerWaalsContact OH-O 3.05Å; Y10-A177 HydrophobicContact CD1-CB 4.03Å; Y10-A177 HydrophobicContact CE1-CB 3.56Å
11L57.3Low64.5Low101 Ų10170.4 Ų70.453%0.52940%0.398SS..Hα-helixtrans-68.2-38.7175.2-173.465.6000111.6S7 S8 D9 C13 Q14 C15S7-L11 WeakPolarHBondContact O-CB 3.5Å; S7-L11 PolarHBondContact O-N 3.2Å; S8-L11 PolarHBondContact O-N 2.82Å; D9-L11 VanDerWaalsContact C-N 3.31Å; D9-L11 PolarHBondContact O-N 2.9Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.49Å; L11-Q14 CarbonylContact O-C 3.56Å; L11-Q14 PolarHBondContact O-N 2.88Å; L11-C15 WeakPolarHBondContact O-CB 3.42Å; L11-C15 PolarHBondContact O-N 3.01Å; L11-C15 PolarHBondContact O-SG 2.94Å; L11-C15 VanDerWaalsContact O-SG 3.41Å
12C59.1Low67.2Low63 Ų6364.4 Ų64.443%0.42637%0.369SS..Hα-helixtrans-57.6-48.3174.8-166.70000111.4S8 D9 Q14 C15 S16 E181S8-C12 PolarHBondContact O-N 2.88Å; D9-C12 PolarHBondContact O-N 3.01Å; C12-Q14 PolarHBondContact O-N 2.93Å; C12-C15 PolarHBondContact O-N 3.18Å; C12-S16 PolarHBondContact O-N 2.97Å; C12-E181 PolarHBondContact SG-OE1 2.93Å
13C65.3Low70.1Confident6 Ų662.1 Ų62.14%0.04136%0.359CS..Hα-helixtrans-57.8-31.1175.3-840000113.4D9 L11 S16 Y17 R184D9-C13 PolarHBondContact O-N 3.37Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.49Å; C13-S16 PolarHBondContact O-OG 2.95Å; C13-Y17 VanDerWaalsContact O-CZ 3.26Å; C13-Y17 PolarHBondContact O-OH 2.76Å; C13-R184 PolarHBondContact O-NH1 3.34Å
14Q67.6Low72.7Confident76 Ų7659 Ų5936%0.35534%0.341SS..Hα-helixtrans-85.1-36.1174.9-65.2-16333.800114Y10 L11 C12 S16 Y17Y10-Q14 PolarHBondContact O-N 3.01Å; L11-Q14 CarbonylContact O-C 3.56Å; L11-Q14 PolarHBondContact O-N 2.88Å; C12-Q14 PolarHBondContact O-N 2.93Å; Q14-S16 PolarHBondContact O-N 3.43Å; Q14-Y17 HydrophobicContact CB-CE2 4.33Å; Q14-Y17 HydrophobicContact CG-CE2 4.43Å; Q14-Y17 WeakPolarHBondContact O-CD2 3.25Å
15C74.9Confident75.3Confident80 Ų8056.9 Ų56.954%0.54133%0.329SS..Hα-helixtrans-70.8-15.2177-71.80000113.4L11 C12 P18L11-C15 WeakPolarHBondContact O-CB 3.42Å; L11-C15 PolarHBondContact O-N 3.01Å; L11-C15 PolarHBondContact O-SG 2.94Å; L11-C15 VanDerWaalsContact O-SG 3.41Å; C12-C15 PolarHBondContact O-N 3.18Å; C15-P18 WeakPolarHBondContact O-CD 3.49Å
16S85.7Confident77.9Confident23 Ų2357 Ų5716%0.16132%0.324CS..THydrogen-bonded Turntrans-70.1-27.1178.770.90000115.2C12 C13 Q14 V19 W20C12-S16 PolarHBondContact O-N 2.97Å; C13-S16 PolarHBondContact O-OG 2.95Å; Q14-S16 PolarHBondContact O-N 3.43Å; S16-V19 WeakPolarHBondContact O-CB 3.21Å; S16-V19 PolarHBondContact O-N 3.07Å; S16-V19 VanDerWaalsContact O-N 3.1Å; S16-W20 PolarHBondContact O-N 3.01Å
17Y90.3Very high80.2Confident20 Ų2057 Ų578%0.07833%0.325CS..Hα-helixtrans-59.2-42.9-169.6-55.1-53.7000115.3C13 Q14 V19 W20 E21 W105 K106 A109 R184C13-Y17 VanDerWaalsContact O-CZ 3.26Å; C13-Y17 PolarHBondContact O-OH 2.76Å; Q14-Y17 HydrophobicContact CB-CE2 4.33Å; Q14-Y17 HydrophobicContact CG-CE2 4.43Å; Q14-Y17 WeakPolarHBondContact O-CD2 3.25Å; Y17-V19 PolarHBondContact O-N 2.91Å; Y17-W20 PolarHBondContact O-N 2.99Å; Y17-W20 VanDerWaalsContact O-N 3.16Å; Y17-E21 WeakPolarHBondContact O-CG 3.49Å; Y17-E21 PolarHBondContact O-N 3.12Å; Y17-W105 HydrophobicContact CE1-CB 4.03Å; Y17-W105 PolarHBondContact OH-O 3.41Å; Y17-W105 VanDerWaalsContact OH-O 3.11Å; Y17-K106 HydrophobicContact CD1-CG 3.9Å; Y17-K106 HydrophobicContact CD2-CG 3.85Å; Y17-K106 HydrophobicContact CE1-CG 3.8Å; Y17-K106 HydrophobicContact CE2-CG 3.73Å; Y17-K106 HydrophobicContact CG-CG 3.96Å; Y17-A109 WeakPolarHBondContact OH-CB 3.26Å; Y17-R184 PolarHBondContact OH-NH1 3.35Å; Y17-R184 PolarHBondContact OH-NH2 3.41Å; Y17-R184 VanDerWaalsContact OH-NH2 3.16Å
18P93.4Very high82.4Confident84 Ų8455.3 Ų55.355%0.54531%0.312SS..Hα-helixtrans-60.9-27.6177.8-24.536000113.9C15 D22C15-P18 WeakPolarHBondContact O-CD 3.49Å; P18-D22 WeakPolarHBondContact O-CB 3.4Å; P18-D22 PolarHBondContact O-N 3.48Å
19V95.3Very high84.6Confident104 Ų10458.5 Ų58.563%0.6332%0.317SS*.Hα-helixtrans-73.3-43177.1-173.90000110.5S16 Y17 F23S16-V19 WeakPolarHBondContact O-CB 3.21Å; S16-V19 PolarHBondContact O-N 3.07Å; S16-V19 VanDerWaalsContact O-N 3.1Å; Y17-V19 PolarHBondContact O-N 2.91Å; V19-F23 WeakPolarHBondContact O-CB 3.4Å; V19-F23 PolarHBondContact O-N 2.85Å
20W95.9Very high86.7Confident21 Ų2160.7 Ų60.78%0.0833%0.328CS..Hα-helixtrans-66.4-38174.9-63.6115.3000112.5S16 Y17 S24 L98 I102 W105 F185 F188S16-W20 PolarHBondContact O-N 3.01Å; Y17-W20 PolarHBondContact O-N 2.99Å; Y17-W20 VanDerWaalsContact O-N 3.16Å; W20-S24 WeakPolarHBondContact O-CB 3.36Å; W20-S24 PolarHBondContact O-N 3.28Å; W20-L98 HydrophobicContact CE3-CD1 4.16Å; W20-L98 HydrophobicContact CE3-CD2 4.44Å; W20-I102 HydrophobicContact CB-CD1 3.69Å; W20-I102 HydrophobicContact CB-CG1 3.83Å; W20-W105 HydrophobicContact CD2-CZ3 4.23Å; W20-W105 HydrophobicContact CG-CZ3 4.42Å; W20-F185 AromaticContact CH2-CD1 3.76Å; W20-F185 HydrophobicContact CH2-CD1 3.76Å; W20-F185 AromaticContact CH2-CE1 3.77Å; W20-F185 HydrophobicContact CH2-CE1 3.77Å; W20-F185 AromaticContact CZ2-CD1 3.87Å; W20-F185 HydrophobicContact CZ2-CD1 3.87Å; W20-F185 AromaticContact CZ2-CE1 3.58Å; W20-F185 HydrophobicContact CZ2-CE1 3.58Å; W20-F185 HydrophobicContact CZ2-CZ 4.08Å; W20-F188 HydrophobicContact CE3-CD2 4.46Å; W20-F188 HydrophobicContact CH2-CB 4.03Å; W20-F188 HydrophobicContact CH2-CD1 4.3Å; W20-F188 HydrophobicContact CH2-CD2 4.38Å; W20-F188 AromaticContact CH2-CG 3.97Å; W20-F188 HydrophobicContact CH2-CG 3.97Å; W20-F188 HydrophobicContact CZ3-CB 4.04Å; W20-F188 HydrophobicContact CZ3-CD1 4.2Å; W20-F188 AromaticContact CZ3-CD2 3.62Å; W20-F188 HydrophobicContact CZ3-CD2 3.62Å; W20-F188 HydrophobicContact CZ3-CE2 4.08Å; W20-F188 AromaticContact CZ3-CG 3.67Å; W20-F188 HydrophobicContact CZ3-CG 3.67Å
21E96.1Very high88.7Confident86 Ų8660.5 Ų60.540%0.40233%0.328SS..Hα-helixtrans-67.2-45.8176.1-73.2172.8-170.300112Y17 S24 A25 I102 K106Y17-E21 WeakPolarHBondContact O-CG 3.49Å; Y17-E21 PolarHBondContact O-N 3.12Å; E21-S24 PolarHBondContact O-N 3.44Å; E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.11Å; E21-I102 HydrophobicContact CG-CD1 4.48Å; E21-I102 HydrophobicContact CG-CG2 4.28Å; E21-K106 WeakPolarHBondContact OE1-CE 3.14Å; E21-K106 IonicContact OE1-NZ 3.65Å; E21-K106 PolarHBondContact OE1-NZ 3.48Å
22D97.1Very high90.7Very high79 Ų7958.4 Ų58.442%0.42232%0.321SS..Hα-helixtrans-63.7-45.4174-17773.6000111.3P18 S24 A25 K26P18-D22 WeakPolarHBondContact O-CB 3.4Å; P18-D22 PolarHBondContact O-N 3.48Å; D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 PolarHBondContact O-N 2.86Å; D22-A25 CarbonylContact O-C 3.6Å; D22-A25 PolarHBondContact O-N 3.32Å; D22-A25 VanDerWaalsContact O-N 3.1Å; D22-K26 VanDerWaalsContact O-CG 3.22Å; D22-K26 WeakPolarHBondContact O-CG 3.48Å; D22-K26 PolarHBondContact O-N 3.44Å; D22-K26 VanDerWaalsContact OD1-CE 3.23Å; D22-K26 WeakPolarHBondContact OD1-CE 3.48Å; D22-K26 IonicContact OD1-NZ 2.68Å; D22-K26 PolarHBondContact OD1-NZ 2.99Å; D22-K26 IonicContact OD2-NZ 2.68Å; D22-K26 PolarHBondContact OD2-NZ 3.3Å
23F97.9Very high92.5Very high76 Ų7661.4 Ų61.433%0.33333%0.329SS..Hα-helixtrans-53.8-48.5175.2175.7-87.7000111.7V19 A25 K26 A27 L94 L98 F188V19-F23 WeakPolarHBondContact O-CB 3.4Å; V19-F23 PolarHBondContact O-N 2.85Å; F23-A25 VanDerWaalsContact C-N 3.34Å; F23-A25 PolarHBondContact O-N 3.11Å; F23-K26 PolarHBondContact O-N 3.4Å; F23-A27 HydrophobicContact CE1-CB 4.39Å; F23-A27 WeakPolarHBondContact O-CB 3.42Å; F23-A27 PolarHBondContact O-N 3.2Å; F23-L94 HydrophobicContact CE1-CD2 4.37Å; F23-L94 HydrophobicContact CZ-CD2 4.29Å; F23-L98 HydrophobicContact CD1-CD2 3.6Å; F23-L98 HydrophobicContact CE1-CD2 3.85Å; F23-F188 HydrophobicContact CD1-CE2 4.28Å; F23-F188 AromaticContact CE1-CE2 3.64Å; F23-F188 HydrophobicContact CE1-CE2 3.64Å; F23-F188 HydrophobicContact CE1-CZ 4.26Å; F23-F188 HydrophobicContact CE2-CE2 4.45Å; F23-F188 HydrophobicContact CE2-CZ 4.29Å; F23-F188 AromaticContact CZ-CE2 3.73Å; F23-F188 HydrophobicContact CZ-CE2 3.73Å; F23-F188 AromaticContact CZ-CZ 3.89Å; F23-F188 HydrophobicContact CZ-CZ 3.89Å
24S97.4Very high94.1Very high5 Ų562.4 Ų62.44%0.03533%0.334CS..Hα-helixtrans-62.4-40178.1-170.90000112.2W20 E21 D22 A27 T28 Q99W20-S24 WeakPolarHBondContact O-CB 3.36Å; W20-S24 PolarHBondContact O-N 3.28Å; E21-S24 PolarHBondContact O-N 3.44Å; D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 PolarHBondContact O-N 2.86Å; S24-A27 PolarHBondContact O-N 2.84Å; S24-T28 WeakPolarHBondContact O-CB 3.38Å; S24-T28 PolarHBondContact O-N 3.25Å; S24-T28 PolarHBondContact O-OG1 3.46Å; S24-Q99 WeakPolarHBondContact OG-CG 3.43Å; S24-Q99 PolarHBondContact OG-NE2 2.88Å
25A98Very high95.6Very high43 Ų4365 Ų6536%0.35534%0.34SS..Hα-helixtrans-66.4-35.4175.500000112.9E21 D22 F23 K29E21-A25 WeakPolarHBondContact O-CB 3.46Å; E21-A25 PolarHBondContact O-N 3.11Å; D22-A25 CarbonylContact O-C 3.6Å; D22-A25 PolarHBondContact O-N 3.32Å; D22-A25 VanDerWaalsContact O-N 3.1Å; F23-A25 VanDerWaalsContact C-N 3.34Å; F23-A25 PolarHBondContact O-N 3.11Å; A25-K29 WeakPolarHBondContact O-CG 3.42Å; A25-K29 PolarHBondContact O-N 3.49Å
26K98.6Very high96.7Very high107 Ų10765.1 Ų65.147%0.46534%0.339SS..Hα-helixtrans-71.7-43.8174.9-61-73.4163.358.80111.2D22 F23 T28 K29 L30D22-K26 VanDerWaalsContact O-CG 3.22Å; D22-K26 WeakPolarHBondContact O-CG 3.48Å; D22-K26 PolarHBondContact O-N 3.44Å; D22-K26 VanDerWaalsContact OD1-CE 3.23Å; D22-K26 WeakPolarHBondContact OD1-CE 3.48Å; D22-K26 IonicContact OD1-NZ 2.68Å; D22-K26 PolarHBondContact OD1-NZ 2.99Å; D22-K26 IonicContact OD2-NZ 2.68Å; D22-K26 PolarHBondContact OD2-NZ 3.3Å; F23-K26 PolarHBondContact O-N 3.4Å; K26-T28 VanDerWaalsContact C-N 3.34Å; K26-T28 PolarHBondContact O-N 2.92Å; K26-K29 WeakPolarHBondContact O-CB 3.42Å; K26-K29 PolarHBondContact O-N 2.83Å; K26-L30 PolarHBondContact O-N 2.91Å
27A98.3Very high97.3Very high7 Ų767.6 Ų67.66%0.05835%0.353CS..Hα-helixtrans-60.5-41.8174.400000111.9F23 S24 K29 L30 H31 I95F23-A27 HydrophobicContact CE1-CB 4.39Å; F23-A27 WeakPolarHBondContact O-CB 3.42Å; F23-A27 PolarHBondContact O-N 3.2Å; S24-A27 PolarHBondContact O-N 2.84Å; A27-K29 VanDerWaalsContact C-N 3.32Å; A27-K29 PolarHBondContact O-N 2.76Å; A27-L30 PolarHBondContact O-N 3.29Å; A27-H31 WeakPolarHBondContact O-CB 3.47Å; A27-H31 PolarHBondContact O-N 3.09Å; A27-I95 HydrophobicContact CB-CD1 4.05Å; A27-I95 HydrophobicContact CB-CG1 3.72Å
28T98.6Very high97.7Very high45 Ų4567 Ų6728%0.27635%0.351SS..Hα-helixtrans-60.8-39.4174.7-56.50000112.2S24 K26 S32 I95S24-T28 WeakPolarHBondContact O-CB 3.38Å; S24-T28 PolarHBondContact O-N 3.25Å; S24-T28 PolarHBondContact O-OG1 3.46Å; K26-T28 VanDerWaalsContact C-N 3.34Å; K26-T28 PolarHBondContact O-N 2.92Å; T28-S32 WeakPolarHBondContact O-CB 3.47Å; T28-S32 PolarHBondContact O-N 3.44Å; T28-S32 VanDerWaalsContact O-N 3.12Å; T28-S32 PolarHBondContact O-OG 3.26Å; T28-I95 WeakPolarHBondContact OG1-CG2 3.37Å
29K98.6Very high97.9Very high137 Ų13768.5 Ų68.560%0.59635%0.354SS*.Hα-helixtrans-66.8-46173.9-72.6169.8-178.9178.80111.5A25 K26 A27 S32 Q33A25-K29 WeakPolarHBondContact O-CG 3.42Å; A25-K29 PolarHBondContact O-N 3.49Å; K26-K29 WeakPolarHBondContact O-CB 3.42Å; K26-K29 PolarHBondContact O-N 2.83Å; A27-K29 VanDerWaalsContact C-N 3.32Å; A27-K29 PolarHBondContact O-N 2.76Å; K29-S32 WeakPolarHBondContact O-CB 3.38Å; K29-S32 PolarHBondContact O-N 3.21Å; K29-S32 VanDerWaalsContact O-N 3.16Å; K29-Q33 PolarHBondContact O-N 3.09Å
30L98.6Very high98.1Very high91 Ų9166.6 Ų66.648%0.47635%0.349SS..Hα-helixtrans-56.4-51.6175.817560.8000111.4K26 A27 S32 Q33 L34 L90K26-L30 PolarHBondContact O-N 2.91Å; A27-L30 PolarHBondContact O-N 3.29Å; L30-S32 VanDerWaalsContact C-N 3.27Å; L30-S32 PolarHBondContact O-N 3.38Å; L30-Q33 PolarHBondContact O-N 2.96Å; L30-Q33 VanDerWaalsContact O-N 3.11Å; L30-L34 HydrophobicContact CD1-CD1 4.02Å; L30-L34 HydrophobicContact CD1-CD2 4.5Å; L30-L34 HydrophobicContact CD1-CG 4.04Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.31Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 3.47Å; L30-L90 HydrophobicContact CD2-CD2 4.27Å; L30-L90 HydrophobicContact CG-CD2 4.25Å
31H98.6Very high98.2Very high17 Ų1766.8 Ų66.88%0.07936%0.356CS..Hα-helixtrans-52.4-44.2174.3166-104.6000112.4A27 Q33 L34 R35 T87 L90 M91 I95A27-H31 WeakPolarHBondContact O-CB 3.47Å; A27-H31 PolarHBondContact O-N 3.09Å; H31-Q33 PolarHBondContact O-N 3.18Å; H31-L34 PolarHBondContact O-N 3.41Å; H31-R35 VanDerWaalsContact CE1-CD 3.4Å; H31-R35 WeakPolarHBondContact CE1-CD 3.17Å; H31-R35 WeakPolarHBondContact NE2-CD 3.28Å; H31-R35 WeakPolarHBondContact O-CG 3.32Å; H31-R35 PolarHBondContact O-N 2.89Å; H31-T87 PolarHBondContact CD2-O 3.07Å; H31-T87 VanDerWaalsContact CD2-O 3.25Å; H31-L90 HydrophobicContact CB-CD2 3.96Å; H31-L90 HydrophobicContact CB-CG 4.39Å; H31-M91 HydrophobicContact CB-CE 4.44Å; H31-M91 VanDerWaalsContact CE1-CE 3.42Å; H31-M91 WeakPolarHBondContact CE1-CE 3.48Å; H31-M91 WeakPolarHBondContact ND1-CE 3.29Å; H31-I95 HydrophobicContact CB-CD1 3.82Å
32S98.6Very high98.3Very high56 Ų5664.7 Ų64.739%0.39235%0.349SS..Hα-helixtrans-65.7-36.8-179.8-56.10000112.5T28 K29 L30 T36T28-S32 WeakPolarHBondContact O-CB 3.47Å; T28-S32 PolarHBondContact O-N 3.44Å; T28-S32 VanDerWaalsContact O-N 3.12Å; T28-S32 PolarHBondContact O-OG 3.26Å; K29-S32 WeakPolarHBondContact O-CB 3.38Å; K29-S32 PolarHBondContact O-N 3.21Å; K29-S32 VanDerWaalsContact O-N 3.16Å; L30-S32 VanDerWaalsContact C-N 3.27Å; L30-S32 PolarHBondContact O-N 3.38Å; S32-T36 PolarHBondContact O-N 3.31Å; S32-T36 PolarHBondContact O-OG1 3.03Å
33Q98.7Very high98.4Very high126 Ų12664 Ų6459%0.58935%0.354SS*.Hα-helixtrans-70.9-45.8173.1-63.9-56.5-30.900111.6K29 L30 H31 R35 T36 T37K29-Q33 PolarHBondContact O-N 3.09Å; L30-Q33 PolarHBondContact O-N 2.96Å; L30-Q33 VanDerWaalsContact O-N 3.11Å; H31-Q33 PolarHBondContact O-N 3.18Å; Q33-R35 VanDerWaalsContact C-N 3.31Å; Q33-R35 PolarHBondContact O-N 3.04Å; Q33-T36 CarbonylContact O-C 3.58Å; Q33-T36 WeakPolarHBondContact O-CA 3.47Å; Q33-T36 VanDerWaalsContact O-CB 3.3Å; Q33-T36 WeakPolarHBondContact O-CB 3.47Å; Q33-T36 PolarHBondContact O-N 2.72Å; Q33-T37 PolarHBondContact O-N 2.95Å; Q33-T37 PolarHBondContact O-OG1 2.84Å
34L98.5Very high98.4Very high27 Ų2766.1 Ų66.114%0.14136%0.363CS..Hα-helixtrans-56.1-42.3177.1-69.8168.3000112.3L30 H31 T36 T37 V38 L83 F86 T87 L90L30-L34 HydrophobicContact CD1-CD1 4.02Å; L30-L34 HydrophobicContact CD1-CD2 4.5Å; L30-L34 HydrophobicContact CD1-CG 4.04Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.31Å; L30-L34 WeakPolarHBondContact O-CG 3.39Å; L30-L34 PolarHBondContact O-N 3.47Å; H31-L34 PolarHBondContact O-N 3.41Å; L34-T36 PolarHBondContact O-N 3.35Å; L34-T37 PolarHBondContact O-N 3.15Å; L34-V38 WeakPolarHBondContact O-CB 3.5Å; L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.31Å; L34-V38 PolarHBondContact O-N 3.18Å; L34-L83 HydrophobicContact CD2-CD1 4.25Å; L34-F86 HydrophobicContact CD1-CD1 4.32Å; L34-F86 HydrophobicContact CD1-CE1 3.71Å; L34-F86 HydrophobicContact CD2-CE1 4.49Å; L34-T87 HydrophobicContact CB-CG2 3.91Å; L34-L90 HydrophobicContact CD1-CD2 3.78Å
35R98.4Very high98.5Very high131 Ų13166.2 Ų66.249%0.49436%0.363SS..Hα-helixtrans-58.9-34.1172.3-72.8-177.770.788.3-1.3113.1H31 Q33 L39 T87H31-R35 VanDerWaalsContact CE1-CD 3.4Å; H31-R35 WeakPolarHBondContact CE1-CD 3.17Å; H31-R35 WeakPolarHBondContact NE2-CD 3.28Å; H31-R35 WeakPolarHBondContact O-CG 3.32Å; H31-R35 PolarHBondContact O-N 2.89Å; Q33-R35 VanDerWaalsContact C-N 3.31Å; Q33-R35 PolarHBondContact O-N 3.04Å; R35-L39 WeakPolarHBondContact O-CG 3.3Å; R35-L39 PolarHBondContact O-N 2.87Å; R35-T87 HydrophobicContact CG-CG2 3.61Å
36T98.6Very high98.5Very high82 Ų8267.3 Ų67.350%0.50336%0.363SS..Hα-helixtrans-76.1-43.6178.7-52.50000110.6S32 Q33 L34 V38 L39 A40S32-T36 PolarHBondContact O-N 3.31Å; S32-T36 PolarHBondContact O-OG1 3.03Å; Q33-T36 CarbonylContact O-C 3.58Å; Q33-T36 WeakPolarHBondContact O-CA 3.47Å; Q33-T36 VanDerWaalsContact O-CB 3.3Å; Q33-T36 WeakPolarHBondContact O-CB 3.47Å; Q33-T36 PolarHBondContact O-N 2.72Å; L34-T36 PolarHBondContact O-N 3.35Å; T36-V38 VanDerWaalsContact C-N 3.31Å; T36-V38 PolarHBondContact O-N 3.44Å; T36-L39 PolarHBondContact O-N 3.01Å; T36-L39 VanDerWaalsContact O-N 3.14Å; T36-A40 PolarHBondContact O-N 3.14Å
37T98.5Very high98.5Very high76 Ų7664.6 Ų64.647%0.46636%0.36SS..Hα-helixtrans-56.4-43.7171.7-53.60000111.8Q33 L34 L39 A40 A41Q33-T37 PolarHBondContact O-N 2.95Å; Q33-T37 PolarHBondContact O-OG1 2.84Å; L34-T37 PolarHBondContact O-N 3.15Å; T37-L39 VanDerWaalsContact C-N 3.35Å; T37-L39 PolarHBondContact O-N 3.49Å; T37-A40 PolarHBondContact O-N 2.66Å; T37-A41 WeakPolarHBondContact O-CB 3.31Å; T37-A41 PolarHBondContact O-N 2.65Å
38V98.4Very high98.6Very high6 Ų666.7 Ų66.74%0.03637%0.369CS..Hα-helixtrans-58-42174.9156.50000112.4L34 T36 V42 L83 R84L34-V38 WeakPolarHBondContact O-CB 3.5Å; L34-V38 VanDerWaalsContact O-CG2 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.31Å; L34-V38 PolarHBondContact O-N 3.18Å; T36-V38 VanDerWaalsContact C-N 3.31Å; T36-V38 PolarHBondContact O-N 3.44Å; V38-V42 PolarHBondContact O-N 3.3Å; V38-L83 HydrophobicContact CG2-CB 4.3Å; V38-L83 HydrophobicContact CG2-CD2 3.66Å; V38-L83 HydrophobicContact CG2-CG 3.66Å; V38-R84 HydrophobicContact CG1-CG 3.6Å; V38-R84 VanDerWaalsContact CG1-NH2 3.27Å; V38-R84 HydrophobicContact CG2-CG 4.28Å
39L98.4Very high98.6Very high117 Ų11765.8 Ų65.861%0.61336%0.361SS*.Hα-helixtrans-70-40.6177-69.2170.4000112.1R35 T36 T37 A41 V42 A43R35-L39 WeakPolarHBondContact O-CG 3.3Å; R35-L39 PolarHBondContact O-N 2.87Å; T36-L39 PolarHBondContact O-N 3.01Å; T36-L39 VanDerWaalsContact O-N 3.14Å; T37-L39 VanDerWaalsContact C-N 3.35Å; T37-L39 PolarHBondContact O-N 3.49Å; L39-A41 VanDerWaalsContact C-N 3.34Å; L39-V42 PolarHBondContact O-N 2.7Å; L39-A43 PolarHBondContact O-N 3.22Å
40A98.6Very high98.6Very high63 Ų6366.1 Ų66.152%0.52136%0.362SS..Hα-helixtrans-63.9-38.7174.700000112.1T36 T37 A43 F44T36-A40 PolarHBondContact O-N 3.14Å; T37-A40 PolarHBondContact O-N 2.66Å; A40-A43 PolarHBondContact O-N 2.98Å; A40-F44 WeakPolarHBondContact O-CB 3.17Å; A40-F44 PolarHBondContact O-N 3.02Å
41A98.4Very high98.6Very high26 Ų2665.6 Ų65.622%0.21536%0.363CS..Hα-helixtrans-61.6-43.3177.500000112.3T37 L39 F44 L45 E80T37-A41 WeakPolarHBondContact O-CB 3.31Å; T37-A41 PolarHBondContact O-N 2.65Å; L39-A41 VanDerWaalsContact C-N 3.34Å; A41-F44 PolarHBondContact O-N 2.73Å; A41-L45 WeakPolarHBondContact O-CB 3.35Å; A41-L45 VanDerWaalsContact O-CG 3.24Å; A41-L45 WeakPolarHBondContact O-CG 3.42Å; A41-L45 PolarHBondContact O-N 3.46Å; A41-E80 HydrophobicContact CB-CG 4.05Å
42V98.5Very high98.6Very high42 Ų4264.8 Ų64.826%0.25536%0.359SS..Hα-helixtrans-62-48.7174.7174.10000111.4V38 L39 F44 L45 D46 E80V38-V42 PolarHBondContact O-N 3.3Å; L39-V42 PolarHBondContact O-N 2.7Å; V42-F44 VanDerWaalsContact C-N 3.27Å; V42-F44 PolarHBondContact O-N 2.98Å; V42-L45 PolarHBondContact O-N 3.42Å; V42-L45 VanDerWaalsContact O-N 3.08Å; V42-D46 PolarHBondContact O-N 3.28Å; V42-E80 HydrophobicContact CG2-CG 4.14Å; V42-E80 WeakPolarHBondContact CG2-OE1 3.34Å
43A98.6Very high98.6Very high65 Ų6565.3 Ų65.354%0.53736%0.358SS..Hα-helixtrans-60.1-38.3179.700000112.3L39 A40 A47L39-A43 PolarHBondContact O-N 3.22Å; A40-A43 PolarHBondContact O-N 2.98Å; A43-A47 PolarHBondContact O-N 2.96Å
44F98.8Very high98.6Very high120 Ų12065.5 Ų65.553%0.52636%0.36SS..Hα-helixtrans-64.5-46.1171.5170.8-101.8000112.2A40 A41 V42 D46 A47 F48A40-F44 WeakPolarHBondContact O-CB 3.17Å; A40-F44 PolarHBondContact O-N 3.02Å; A41-F44 PolarHBondContact O-N 2.73Å; V42-F44 VanDerWaalsContact C-N 3.27Å; V42-F44 PolarHBondContact O-N 2.98Å; F44-D46 PolarHBondContact O-N 2.69Å; F44-A47 CarbonylContact O-C 3.6Å; F44-A47 WeakPolarHBondContact O-CB 3.03Å; F44-A47 PolarHBondContact O-N 3.24Å; F44-A47 VanDerWaalsContact O-N 3.11Å; F44-F48 HydrophobicContact CE1-CD2 4.18Å; F44-F48 AromaticContact CZ-CD2 3.85Å; F44-F48 HydrophobicContact CZ-CD2 3.85Å; F44-F48 WeakPolarHBondContact O-CB 3.16Å; F44-F48 PolarHBondContact O-N 3.02Å
45L98.6Very high98.5Very high6 Ų665 Ų653%0.03136%0.36CS..Hα-helixtrans-71.1-27.2-177.9-68.4173.3000113.7A41 V42 Q49 C73 H76 R77 E80A41-L45 WeakPolarHBondContact O-CB 3.35Å; A41-L45 VanDerWaalsContact O-CG 3.24Å; A41-L45 WeakPolarHBondContact O-CG 3.42Å; A41-L45 PolarHBondContact O-N 3.46Å; V42-L45 PolarHBondContact O-N 3.42Å; V42-L45 VanDerWaalsContact O-N 3.08Å; L45-Q49 WeakPolarHBondContact O-CB 3.34Å; L45-Q49 PolarHBondContact O-N 3.43Å; L45-C73 PolarHBondContact O-SG 3.31Å; L45-C73 VanDerWaalsContact O-SG 3.4Å; L45-H76 HydrophobicContact CD1-CB 3.88Å; L45-H76 HydrophobicContact CD2-CB 3.45Å; L45-H76 VanDerWaalsContact CD2-CB 3.45Å; L45-H76 HydrophobicContact CG-CB 4.31Å; L45-R77 HydrophobicContact CD1-CG 3.99Å; L45-R77 PolarHBondContact O-NH2 3.33Å; L45-R77 VanDerWaalsContact O-NH2 3.12Å; L45-E80 HydrophobicContact CD1-CB 4.28Å; L45-E80 HydrophobicContact CD1-CG 4.49Å
46D98.6Very high98.5Very high66 Ų6660.9 Ų60.935%0.35335%0.349SS..Hα-helixtrans-75.7-23.7169.9-70.6-24.9000112.6V42 F44 K50 R77V42-D46 PolarHBondContact O-N 3.28Å; F44-D46 PolarHBondContact O-N 2.69Å; D46-K50 WeakPolarHBondContact O-CD 3.4Å; D46-K50 VanDerWaalsContact O-CE 3.23Å; D46-K50 WeakPolarHBondContact O-CE 3.42Å; D46-K50 WeakPolarHBondContact O-CG 3.32Å; D46-R77 IonicContact OD1-CZ 3.03Å; D46-R77 IonicContact OD1-NH1 2.77Å; D46-R77 PolarHBondContact OD1-NH1 2.87Å; D46-R77 IonicContact OD1-NH2 3.73Å; D46-R77 PolarHBondContact OD1-NH2 3.33Å
47A98.8Very high98.4Very high50 Ų5063.6 Ų63.641%0.41336%0.361SS..Hα-helixtrans-78.5-43.4168.300000111.5A43 F44 Q49 K50 V51A43-A47 PolarHBondContact O-N 2.96Å; F44-A47 CarbonylContact O-C 3.6Å; F44-A47 WeakPolarHBondContact O-CB 3.03Å; F44-A47 PolarHBondContact O-N 3.24Å; F44-A47 VanDerWaalsContact O-N 3.11Å; A47-Q49 PolarHBondContact O-N 3.23Å; A47-K50 PolarHBondContact O-N 3.44Å; A47-V51 PolarHBondContact O-N 3.07Å
48F98.8Very high98.2Very high52 Ų5262.5 Ų62.523%0.22835%0.354CS..Hα-helixtrans-59.5-44.8177.1-170.4-74.5000111.4F44 K50 V51 A52 L69 M72 C73F44-F48 HydrophobicContact CE1-CD2 4.18Å; F44-F48 AromaticContact CZ-CD2 3.85Å; F44-F48 HydrophobicContact CZ-CD2 3.85Å; F44-F48 WeakPolarHBondContact O-CB 3.16Å; F44-F48 PolarHBondContact O-N 3.02Å; F48-K50 VanDerWaalsContact C-N 3.28Å; F48-K50 PolarHBondContact O-N 2.93Å; F48-V51 WeakPolarHBondContact O-CB 3.32Å; F48-V51 PolarHBondContact O-N 3.49Å; F48-V51 VanDerWaalsContact O-N 3.09Å; F48-A52 PolarHBondContact O-N 3.07Å; F48-A52 VanDerWaalsContact O-N 3.09Å; F48-L69 HydrophobicContact CE1-CB 4.23Å; F48-L69 HydrophobicContact CE1-CD2 4.3Å; F48-L69 WeakPolarHBondContact CE1-O 3.34Å; F48-L69 HydrophobicContact CZ-CD2 3.91Å; F48-M72 HydrophobicContact CE1-CB 4.45Å; F48-M72 HydrophobicContact CZ-CB 4.4Å; F48-M72 HydrophobicContact CZ-CG 4.2Å; F48-C73 HydrophobicContact CD1-CB 3.77Å; F48-C73 HydrophobicContact CE1-CB 4.07Å
49Q98.6Very high97.9Very high26 Ų2670.7 Ų70.712%0.12138%0.384CS..Hα-helixtrans-60.7-37.6179.1-170.956.548.900111.7L45 A47 V51 A52 D53 T70 C73L45-Q49 WeakPolarHBondContact O-CB 3.34Å; L45-Q49 PolarHBondContact O-N 3.43Å; A47-Q49 PolarHBondContact O-N 3.23Å; Q49-V51 VanDerWaalsContact C-N 3.27Å; Q49-V51 PolarHBondContact O-N 3.31Å; Q49-A52 CarbonylContact O-C 3.55Å; Q49-A52 WeakPolarHBondContact O-CA 3.14Å; Q49-A52 WeakPolarHBondContact O-CB 3.43Å; Q49-A52 PolarHBondContact O-N 3.48Å; Q49-A52 VanDerWaalsContact O-N 3.08Å; Q49-D53 PolarHBondContact NE2-OD1 2.9Å; Q49-D53 WeakPolarHBondContact O-CB 3.33Å; Q49-D53 PolarHBondContact O-N 3.22Å; Q49-T70 PolarHBondContact NE2-OG1 3.43Å; Q49-T70 VanDerWaalsContact NE2-OG1 3.15Å; Q49-C73 PolarHBondContact OE1-SG 2.91Å; Q49-C73 VanDerWaalsContact OE1-SG 3.4Å
50K98.7Very high97.6Very high143 Ų14365.8 Ų65.862%0.62236%0.362SS*.Hα-helixtrans-62-33176.4-66.4163.5-170.51660112.9D46 A47 F48 M54D46-K50 WeakPolarHBondContact O-CD 3.4Å; D46-K50 VanDerWaalsContact O-CE 3.23Å; D46-K50 WeakPolarHBondContact O-CE 3.42Å; D46-K50 WeakPolarHBondContact O-CG 3.32Å; A47-K50 PolarHBondContact O-N 3.44Å; F48-K50 VanDerWaalsContact C-N 3.28Å; F48-K50 PolarHBondContact O-N 2.93Å; K50-M54 VanDerWaalsContact O-CB 3.24Å; K50-M54 WeakPolarHBondContact O-CB 3.49Å; K50-M54 PolarHBondContact O-N 3.37Å
51V98.6Very high97.4Very high80 Ų8063.4 Ų63.449%0.48534%0.342SS..Hα-helixtrans-70.7-41.9174-178.70000110.5A47 F48 Q49 M54 A55A47-V51 PolarHBondContact O-N 3.07Å; F48-V51 WeakPolarHBondContact O-CB 3.32Å; F48-V51 PolarHBondContact O-N 3.49Å; F48-V51 VanDerWaalsContact O-N 3.09Å; Q49-V51 VanDerWaalsContact C-N 3.27Å; Q49-V51 PolarHBondContact O-N 3.31Å; V51-M54 PolarHBondContact O-N 3.32Å; V51-A55 PolarHBondContact O-N 3.07Å
52A98.4Very high97.3Very high0 Ų065.1 Ų65.10%035%0.35CS..Hα-helixtrans-63.4-43174.700000112.2F48 Q49 A55 T56 G66 L69 T70F48-A52 PolarHBondContact O-N 3.07Å; F48-A52 VanDerWaalsContact O-N 3.09Å; Q49-A52 CarbonylContact O-C 3.55Å; Q49-A52 WeakPolarHBondContact O-CA 3.14Å; Q49-A52 WeakPolarHBondContact O-CB 3.43Å; Q49-A52 PolarHBondContact O-N 3.48Å; Q49-A52 VanDerWaalsContact O-N 3.08Å; A52-A55 PolarHBondContact O-N 3.02Å; A52-T56 WeakPolarHBondContact O-CB 3.45Å; A52-T56 PolarHBondContact O-N 3.25Å; A52-T56 PolarHBondContact O-OG1 3.3Å; A52-G66 WeakPolarHBondContact O-CA 3.36Å; A52-L69 HydrophobicContact CB-CB 3.58Å; A52-T70 WeakPolarHBondContact CB-OG1 3.34Å
53D98.6Very high97.2Very high67 Ų6769.4 Ų69.436%0.35836%0.362SS..Hα-helixtrans-63.2-45.9175.3-63.7-27.1000110.8Q49 A55 T56 N57Q49-D53 PolarHBondContact NE2-OD1 2.9Å; Q49-D53 WeakPolarHBondContact O-CB 3.33Å; Q49-D53 PolarHBondContact O-N 3.22Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 2.86Å; D53-T56 PolarHBondContact O-N 2.89Å; D53-T56 VanDerWaalsContact O-N 3.13Å; D53-N57 PolarHBondContact O-N 3.42Å; D53-N57 PolarHBondContact O-ND2 2.89Å
54M98.4Very high97Very high131 Ų13168.8 Ų68.865%0.64535%0.349SS*.Hα-helixtrans-57.2-46.3177-179.5177.167.800111.2K50 V51 N57 T58K50-M54 VanDerWaalsContact O-CB 3.24Å; K50-M54 WeakPolarHBondContact O-CB 3.49Å; K50-M54 PolarHBondContact O-N 3.37Å; V51-M54 PolarHBondContact O-N 3.32Å; M54-N57 PolarHBondContact O-N 2.92Å; M54-T58 WeakPolarHBondContact O-CG2 3.35Å
55A97.8Very high97Very high16 Ų1665 Ų6513%0.13233%0.334CS..Hα-helixtrans-65.4-40.9174.300000112.3V51 A52 D53 N57 T58 R63V51-A55 PolarHBondContact O-N 3.07Å; A52-A55 PolarHBondContact O-N 3.02Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 2.86Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 2.9Å; A55-T58 WeakPolarHBondContact O-CB 3.35Å; A55-T58 WeakPolarHBondContact O-CG2 3.48Å; A55-T58 PolarHBondContact O-N 3.13Å; A55-T58 VanDerWaalsContact O-N 3.08Å; A55-T58 PolarHBondContact O-OG1 2.85Å; A55-R63 WeakPolarHBondContact O-CA 3.29Å
56T97.6Very high96.9Very high44 Ų4464.7 Ų64.727%0.2733%0.332SS..Hα-helixtrans-65.2-27179.1-54.20000112.8A52 D53 T58 R63 G66 S67A52-T56 WeakPolarHBondContact O-CB 3.45Å; A52-T56 PolarHBondContact O-N 3.25Å; A52-T56 PolarHBondContact O-OG1 3.3Å; D53-T56 PolarHBondContact O-N 2.89Å; D53-T56 VanDerWaalsContact O-N 3.13Å; T56-T58 VanDerWaalsContact C-N 3.3Å; T56-T58 PolarHBondContact O-N 3.28Å; T56-R63 HydrophobicContact CG2-CG 4.39Å; T56-R63 WeakPolarHBondContact O-CG 3.37Å; T56-G66 WeakPolarHBondContact OG1-CA 3.27Å; T56-G66 PolarHBondContact OG1-O 3.22Å; T56-S67 PolarHBondContact OG1-N 3.44Å
57N96.9Very high96.9Very high139 Ų13963.4 Ų63.474%0.74333%0.329SS*.THydrogen-bonded Turntrans-83.82175.3-74.5-76.3000114D53 M54 A55D53-N57 PolarHBondContact O-N 3.42Å; D53-N57 PolarHBondContact O-ND2 2.89Å; M54-N57 PolarHBondContact O-N 2.92Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 PolarHBondContact O-N 2.9Å
58T95Very high96.9Very high54 Ų5461 Ų6133%0.33131%0.309SS..SBendtrans-81.9176.3172.968.70000112.6M54 A55 T56 T62 R63M54-T58 WeakPolarHBondContact O-CG2 3.35Å; A55-T58 WeakPolarHBondContact O-CB 3.35Å; A55-T58 WeakPolarHBondContact O-CG2 3.48Å; A55-T58 PolarHBondContact O-N 3.13Å; A55-T58 VanDerWaalsContact O-N 3.08Å; A55-T58 PolarHBondContact O-OG1 2.85Å; T56-T58 VanDerWaalsContact C-N 3.3Å; T56-T58 PolarHBondContact O-N 3.28Å; T58-T62 HydrophobicContact CG2-CG2 4.15Å; T58-T62 WeakPolarHBondContact OG1-CB 3.39Å; T58-T62 WeakPolarHBondContact OG1-CG2 3.42Å; T58-R63 PolarHBondContact OG1-N 3.44Å
59R91.5Very high96.9Very high178 Ų17860.2 Ų60.267%0.67231%0.307SS*.SBendtrans-106.3153.7174.2-61.8-174.5178.5-167.90110.8V233R59-V233 HydrophobicContact CB-CG1 4.01Å; R59-V233 HydrophobicContact CB-CG2 4.13Å
60G91.9Very high96.8Very high13 Ų1360.9 Ų60.913%0.13431%0.313CS..THydrogen-bonded Turntrans77-160-179.400000112.8T62 R63G60-T62 PolarHBondContact O-N 3.03Å; G60-T62 VanDerWaalsContact O-N 3.11Å; G60-R63 WeakPolarHBondContact O-CB 3.37Å; G60-R63 PolarHBondContact O-N 3.45Å; G60-R63 VanDerWaalsContact O-N 3.15Å
61A94.1Very high96.8Very high14 Ų1459 Ų5912%0.11630%0.302CS..THydrogen-bonded Turntrans-60.7-22.4-173.800000114.3R63 D64 I65 P227 A229 S230A61-R63 PolarHBondContact O-N 3.44Å; A61-D64 WeakPolarHBondContact O-CB 3.5Å; A61-D64 PolarHBondContact O-N 3.47Å; A61-I65 PolarHBondContact O-N 3.26Å; A61-P227 HydrophobicContact CB-CB 3.81Å; A61-P227 HydrophobicContact CB-CG 3.89Å; A61-A229 HydrophobicContact CB-CB 4.36Å; A61-S230 PolarHBondContact N-OG 2.86Å
62T95.8Very high96.8Very high61 Ų6156 Ų5637%0.37428%0.283SS..Hα-helixtrans-62.1-26.6177.8-51.20000112.6T58 G60 D64 G66T58-T62 HydrophobicContact CG2-CG2 4.15Å; T58-T62 WeakPolarHBondContact OG1-CB 3.39Å; T58-T62 WeakPolarHBondContact OG1-CG2 3.42Å; G60-T62 PolarHBondContact O-N 3.03Å; G60-T62 VanDerWaalsContact O-N 3.11Å; T62-D64 VanDerWaalsContact C-N 3.29Å; T62-D64 PolarHBondContact O-N 3.23Å; T62-G66 PolarHBondContact O-N 2.72Å; T62-G66 VanDerWaalsContact O-N 3.09Å
63R96.3Very high96.8Very high133 Ų13356 Ų5650%0.50228%0.283SS..Hα-helixtrans-63.3-36.3170.2179.1-177.472173.61.3112.4A55 T56 T58 G60 A61 G66 S67A55-R63 WeakPolarHBondContact O-CA 3.29Å; T56-R63 HydrophobicContact CG2-CG 4.39Å; T56-R63 WeakPolarHBondContact O-CG 3.37Å; T58-R63 PolarHBondContact OG1-N 3.44Å; G60-R63 WeakPolarHBondContact O-CB 3.37Å; G60-R63 PolarHBondContact O-N 3.45Å; G60-R63 VanDerWaalsContact O-N 3.15Å; A61-R63 PolarHBondContact O-N 3.44Å; R63-G66 PolarHBondContact O-N 2.81Å; R63-S67 WeakPolarHBondContact O-CB 3.4Å; R63-S67 PolarHBondContact O-N 3.38Å; R63-S67 PolarHBondContact O-OG 3.48Å
64D96.2Very high96.7Very high52 Ų5258.3 Ų58.328%0.27829%0.293SS..Hα-helixtrans-77.2-32.8-174.9-49.2-38.1000109.9A61 T62 S67 A68 L219A61-D64 WeakPolarHBondContact O-CB 3.5Å; A61-D64 PolarHBondContact O-N 3.47Å; T62-D64 VanDerWaalsContact C-N 3.29Å; T62-D64 PolarHBondContact O-N 3.23Å; D64-S67 WeakPolarHBondContact O-CB 3.44Å; D64-S67 PolarHBondContact O-N 3.18Å; D64-A68 PolarHBondContact O-N 2.96Å; D64-L219 HydrophobicContact CB-CD2 4.19Å
65I97.4Very high96.6Very high39 Ų3956.8 Ų56.820%0.228%0.28CS..Hα-helixtrans-58-50.9163.7-61169.5000110.6A61 S67 A68 L69 L216 L219 T220A61-I65 PolarHBondContact O-N 3.26Å; I65-S67 PolarHBondContact O-N 2.96Å; I65-A68 PolarHBondContact O-N 3.01Å; I65-A68 VanDerWaalsContact O-N 3.11Å; I65-L69 HydrophobicContact CG2-CD1 4.1Å; I65-L69 HydrophobicContact CG2-CG 4.37Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 2.94Å; I65-L216 HydrophobicContact CG2-CD2 4.32Å; I65-L219 HydrophobicContact CG1-CB 3.96Å; I65-T220 HydrophobicContact CD1-CG2 4.11Å; I65-T220 HydrophobicContact CG1-CG2 4.37Å
66G97.9Very high96.6Very high0 Ų059.1 Ų59.10%029%0.288CS..Hα-helixtrans-58.6-36.8176.700000113.4A52 T56 T62 R63 L69 T70A52-G66 WeakPolarHBondContact O-CA 3.36Å; T56-G66 WeakPolarHBondContact OG1-CA 3.27Å; T56-G66 PolarHBondContact OG1-O 3.22Å; T62-G66 PolarHBondContact O-N 2.72Å; T62-G66 VanDerWaalsContact O-N 3.09Å; R63-G66 PolarHBondContact O-N 2.81Å; G66-L69 PolarHBondContact O-N 3.37Å; G66-T70 WeakPolarHBondContact O-CB 3.33Å; G66-T70 PolarHBondContact O-N 3.46Å; G66-T70 PolarHBondContact O-OG1 2.89Å
67S97.9Very high96.6Very high40 Ų4060.8 Ų60.828%0.2829%0.289SS..Hα-helixtrans-67.1-38.3175.5-57.70000112.1T56 R63 D64 I65 T70 R71T56-S67 PolarHBondContact OG1-N 3.44Å; R63-S67 WeakPolarHBondContact O-CB 3.4Å; R63-S67 PolarHBondContact O-N 3.38Å; R63-S67 PolarHBondContact O-OG 3.48Å; D64-S67 WeakPolarHBondContact O-CB 3.44Å; D64-S67 PolarHBondContact O-N 3.18Å; I65-S67 PolarHBondContact O-N 2.96Å; S67-T70 PolarHBondContact O-N 3.38Å; S67-R71 PolarHBondContact O-N 3.06Å; S67-R71 PolarHBondContact O-NH1 2.92Å
68A98.1Very high96.7Very high0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-71.2-40.7174.100000112.4D64 I65 T70 R71 M72 I212 L216 L219D64-A68 PolarHBondContact O-N 2.96Å; I65-A68 PolarHBondContact O-N 3.01Å; I65-A68 VanDerWaalsContact O-N 3.11Å; A68-T70 VanDerWaalsContact C-N 3.28Å; A68-T70 PolarHBondContact O-N 2.84Å; A68-R71 WeakPolarHBondContact O-CB 3.23Å; A68-R71 PolarHBondContact O-N 2.92Å; A68-R71 VanDerWaalsContact O-N 3.17Å; A68-M72 PolarHBondContact O-N 2.92Å; A68-I212 WeakPolarHBondContact O-CG2 3.48Å; A68-L216 HydrophobicContact CB-CD2 3.61Å; A68-L216 HydrophobicContact CB-CG 3.95Å; A68-L219 HydrophobicContact CB-CD1 3.74Å
69L98.4Very high96.8Very high35 Ų3554.6 Ų54.618%0.18326%0.256CS..Hα-helixtrans-59.4-38.7170.8-68.4173.3000111.5F48 A52 I65 G66 R71 M72 C73 L216F48-L69 HydrophobicContact CE1-CB 4.23Å; F48-L69 HydrophobicContact CE1-CD2 4.3Å; F48-L69 WeakPolarHBondContact CE1-O 3.34Å; F48-L69 HydrophobicContact CZ-CD2 3.91Å; A52-L69 HydrophobicContact CB-CB 3.58Å; I65-L69 HydrophobicContact CG2-CD1 4.1Å; I65-L69 HydrophobicContact CG2-CG 4.37Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 2.94Å; G66-L69 PolarHBondContact O-N 3.37Å; L69-R71 PolarHBondContact O-N 3.33Å; L69-M72 WeakPolarHBondContact O-CB 3.34Å; L69-M72 PolarHBondContact O-N 2.89Å; L69-M72 VanDerWaalsContact O-N 3.13Å; L69-C73 PolarHBondContact O-N 3.35Å; L69-L216 HydrophobicContact CD2-CD1 4.12Å; L69-L216 HydrophobicContact CD2-CD2 4.07Å; L69-L216 HydrophobicContact CG-CD2 4.13Å
70T98.3Very high97.1Very high40 Ų4047.3 Ų47.325%0.24523%0.23CC..Hα-helixtrans-64.2-40.6175.6-62.60000111.6Q49 A52 G66 S67 A68 M72 C73 M74Q49-T70 PolarHBondContact NE2-OG1 3.43Å; Q49-T70 VanDerWaalsContact NE2-OG1 3.15Å; A52-T70 WeakPolarHBondContact CB-OG1 3.34Å; G66-T70 WeakPolarHBondContact O-CB 3.33Å; G66-T70 PolarHBondContact O-N 3.46Å; G66-T70 PolarHBondContact O-OG1 2.89Å; S67-T70 PolarHBondContact O-N 3.38Å; A68-T70 VanDerWaalsContact C-N 3.28Å; A68-T70 PolarHBondContact O-N 2.84Å; T70-M72 VanDerWaalsContact C-N 3.33Å; T70-M72 PolarHBondContact O-N 3.29Å; T70-C73 PolarHBondContact O-N 2.88Å; T70-M74 WeakPolarHBondContact O-CG 3.44Å; T70-M74 PolarHBondContact O-N 3Å
71R97.8Very high97.4Very high103 Ų10348.5 Ų48.539%0.38924%0.238SC..Hα-helixtrans-58.8-44.1170.2-64.3-167.1-64.7-80.715.6111.5S67 A68 L69 M74 R75 I212 D215S67-R71 PolarHBondContact O-N 3.06Å; S67-R71 PolarHBondContact O-NH1 2.92Å; A68-R71 WeakPolarHBondContact O-CB 3.23Å; A68-R71 PolarHBondContact O-N 2.92Å; A68-R71 VanDerWaalsContact O-N 3.17Å; L69-R71 PolarHBondContact O-N 3.33Å; R71-M74 PolarHBondContact O-N 2.99Å; R71-R75 PolarHBondContact O-N 3.15Å; R71-I212 HydrophobicContact CB-CD1 3.95Å; R71-I212 HydrophobicContact CB-CG1 4.42Å; R71-I212 HydrophobicContact CB-CG2 4.16Å; R71-D215 IonicContact CZ-OD2 2.75Å; R71-D215 IonicContact NE-OD2 3.07Å; R71-D215 IonicContact NH2-OD2 3.41Å; R71-D215 PolarHBondContact NH2-OD2 3.48Å
72M97.9Very high97.5Very high18 Ų1850 Ų509%0.08924%0.242CC..Hα-helixtrans-61.9-44.1178.7-169.762.387.300112F48 A68 L69 T70 R75 H76 L209 I212 I213 L216F48-M72 HydrophobicContact CE1-CB 4.45Å; F48-M72 HydrophobicContact CZ-CB 4.4Å; F48-M72 HydrophobicContact CZ-CG 4.2Å; A68-M72 PolarHBondContact O-N 2.92Å; L69-M72 WeakPolarHBondContact O-CB 3.34Å; L69-M72 PolarHBondContact O-N 2.89Å; L69-M72 VanDerWaalsContact O-N 3.13Å; T70-M72 VanDerWaalsContact C-N 3.33Å; T70-M72 PolarHBondContact O-N 3.29Å; M72-R75 PolarHBondContact O-N 2.82Å; M72-H76 PolarHBondContact O-N 3.5Å; M72-H76 VanDerWaalsContact O-N 3.1Å; M72-H76 PolarHBondContact O-ND1 3.46Å; M72-L209 HydrophobicContact SD-CB 4.39Å; M72-L209 HydrophobicContact SD-CD2 3.77Å; M72-I212 HydrophobicContact CB-CG2 3.92Å; M72-I212 HydrophobicContact CE-CB 3.81Å; M72-I212 HydrophobicContact CE-CG2 3.82Å; M72-I212 HydrophobicContact SD-CB 4.34Å; M72-I212 HydrophobicContact SD-CG2 4.31Å; M72-I213 HydrophobicContact CE-CB 4.08Å; M72-L216 HydrophobicContact CE-CD1 3.99Å
73C98.2Very high97.6Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-61.5-47.2175.8-171.30000111.5L45 F48 Q49 L69 T70 R75 H76 R77L45-C73 PolarHBondContact O-SG 3.31Å; L45-C73 VanDerWaalsContact O-SG 3.4Å; F48-C73 HydrophobicContact CD1-CB 3.77Å; F48-C73 HydrophobicContact CE1-CB 4.07Å; Q49-C73 PolarHBondContact OE1-SG 2.91Å; Q49-C73 VanDerWaalsContact OE1-SG 3.4Å; L69-C73 PolarHBondContact O-N 3.35Å; T70-C73 PolarHBondContact O-N 2.88Å; C73-R75 VanDerWaalsContact C-N 3.31Å; C73-R75 PolarHBondContact O-N 3.28Å; C73-H76 PolarHBondContact O-N 3.11Å; C73-H76 VanDerWaalsContact O-N 3.15Å; C73-R77 WeakPolarHBondContact O-CG 3.41Å; C73-R77 PolarHBondContact O-N 2.94Å
74M97.6Very high97.7Very high114 Ų11446.6 Ų46.656%0.56222%0.224SC*.Hα-helixtrans-64.4-32.5-179.4-69.5-60.3-67.600112.9T70 R71 R77 S78T70-M74 WeakPolarHBondContact O-CG 3.44Å; T70-M74 PolarHBondContact O-N 3Å; R71-M74 PolarHBondContact O-N 2.99Å; M74-R77 PolarHBondContact O-N 3.03Å; M74-S78 PolarHBondContact O-N 2.9Å; M74-S78 VanDerWaalsContact O-N 3.15Å
75R96.9Very high97.7Very high100 Ų10049.8 Ų49.838%0.37724%0.238SC..Hα-helixtrans-70-40.3171-70.4-60177.3-172.3-3.8113R71 M72 C73 R77 S78 I79 H208 L209 I212R71-R75 PolarHBondContact O-N 3.15Å; M72-R75 PolarHBondContact O-N 2.82Å; C73-R75 VanDerWaalsContact C-N 3.31Å; C73-R75 PolarHBondContact O-N 3.28Å; R75-R77 VanDerWaalsContact C-N 3.3Å; R75-R77 PolarHBondContact O-N 2.84Å; R75-S78 WeakPolarHBondContact O-CA 3.38Å; R75-S78 VanDerWaalsContact O-CB 3.26Å; R75-S78 WeakPolarHBondContact O-CB 3.45Å; R75-S78 PolarHBondContact O-N 2.98Å; R75-I79 PolarHBondContact O-N 3.02Å; R75-H208 HydrophobicContact CG-CB 4.23Å; R75-H208 PolarHBondContact NH1-CD2 3.25Å; R75-L209 HydrophobicContact CB-CD2 3.52Å; R75-L209 HydrophobicContact CG-CD2 4.45Å; R75-I212 HydrophobicContact CB-CD1 4.33Å; R75-I212 HydrophobicContact CG-CD1 3.55Å
76H97.6Very high97.8Very high64 Ų6448.9 Ų48.930%0.29623%0.232SC..Hα-helixtrans-64.1-33.7172.2-73.987.3000112.6L45 M72 C73 S78 I79 E80L45-H76 HydrophobicContact CD1-CB 3.88Å; L45-H76 HydrophobicContact CD2-CB 3.45Å; L45-H76 VanDerWaalsContact CD2-CB 3.45Å; L45-H76 HydrophobicContact CG-CB 4.31Å; M72-H76 PolarHBondContact O-N 3.5Å; M72-H76 VanDerWaalsContact O-N 3.1Å; M72-H76 PolarHBondContact O-ND1 3.46Å; C73-H76 PolarHBondContact O-N 3.11Å; C73-H76 VanDerWaalsContact O-N 3.15Å; H76-S78 VanDerWaalsContact C-N 3.29Å; H76-S78 PolarHBondContact O-N 3.09Å; H76-I79 PolarHBondContact O-N 2.99Å; H76-E80 VanDerWaalsContact O-CB 3.25Å; H76-E80 WeakPolarHBondContact O-CB 3.28Å; H76-E80 PolarHBondContact O-N 2.89Å
77R97.8Very high97.8Very high80 Ų8049 Ų4930%0.30223%0.233SC..Hα-helixtrans-63.8-31.9170.3-69-178.7-170-105.1-8.2112.5L45 D46 C73 M74 R75 A81L45-R77 HydrophobicContact CD1-CG 3.99Å; L45-R77 PolarHBondContact O-NH2 3.33Å; L45-R77 VanDerWaalsContact O-NH2 3.12Å; D46-R77 IonicContact OD1-CZ 3.03Å; D46-R77 IonicContact OD1-NH1 2.77Å; D46-R77 PolarHBondContact OD1-NH1 2.87Å; D46-R77 IonicContact OD1-NH2 3.73Å; D46-R77 PolarHBondContact OD1-NH2 3.33Å; C73-R77 WeakPolarHBondContact O-CG 3.41Å; C73-R77 PolarHBondContact O-N 2.94Å; M74-R77 PolarHBondContact O-N 3.03Å; R75-R77 VanDerWaalsContact C-N 3.3Å; R75-R77 PolarHBondContact O-N 2.84Å; R77-A81 WeakPolarHBondContact O-CB 3.33Å; R77-A81 PolarHBondContact O-N 2.94Å
78S97.7Very high97.8Very high34 Ų3450.9 Ų50.924%0.23824%0.24CC..Hα-helixtrans-66-49.3171.3-160.50000111.6M74 R75 H76 E80 A81 K82 E205M74-S78 PolarHBondContact O-N 2.9Å; M74-S78 VanDerWaalsContact O-N 3.15Å; R75-S78 WeakPolarHBondContact O-CA 3.38Å; R75-S78 VanDerWaalsContact O-CB 3.26Å; R75-S78 WeakPolarHBondContact O-CB 3.45Å; R75-S78 PolarHBondContact O-N 2.98Å; H76-S78 VanDerWaalsContact C-N 3.29Å; H76-S78 PolarHBondContact O-N 3.09Å; S78-E80 VanDerWaalsContact C-N 3.31Å; S78-E80 PolarHBondContact O-N 3.32Å; S78-A81 PolarHBondContact O-N 3.36Å; S78-K82 WeakPolarHBondContact O-CG 3.43Å; S78-K82 PolarHBondContact O-N 2.93Å; S78-E205 WeakPolarHBondContact CB-OE2 3.08Å; S78-E205 PolarHBondContact OG-OE2 3.44Å
79I97.4Very high97.8Very high29 Ų2952 Ų5215%0.14925%0.249CC..Hα-helixtrans-59.4-42.1176.7-64162.5000110.9R75 H76 A81 K82 L83 M202 E205 I206 L209R75-I79 PolarHBondContact O-N 3.02Å; H76-I79 PolarHBondContact O-N 2.99Å; I79-A81 PolarHBondContact O-N 3.14Å; I79-K82 PolarHBondContact O-N 3.2Å; I79-L83 WeakPolarHBondContact O-CB 3.23Å; I79-L83 PolarHBondContact O-N 3.46Å; I79-M202 HydrophobicContact CG2-CG 4.18Å; I79-E205 HydrophobicContact CG1-CB 3.63Å; I79-I206 HydrophobicContact CD1-CG1 4.14Å; I79-L209 HydrophobicContact CD1-CD1 3.82Å; I79-L209 HydrophobicContact CD1-CD2 4.13Å; I79-L209 HydrophobicContact CD1-CG 4.15Å
80E97.6Very high97.8Very high24 Ų2450.7 Ų50.711%0.11224%0.242CC..Hα-helixtrans-61.3-42.3176.4-169.6-78.1154.700111.9A41 V42 L45 H76 S78 L83 R84A41-E80 HydrophobicContact CB-CG 4.05Å; V42-E80 HydrophobicContact CG2-CG 4.14Å; V42-E80 WeakPolarHBondContact CG2-OE1 3.34Å; L45-E80 HydrophobicContact CD1-CB 4.28Å; L45-E80 HydrophobicContact CD1-CG 4.49Å; H76-E80 VanDerWaalsContact O-CB 3.25Å; H76-E80 WeakPolarHBondContact O-CB 3.28Å; H76-E80 PolarHBondContact O-N 2.89Å; S78-E80 VanDerWaalsContact C-N 3.31Å; S78-E80 PolarHBondContact O-N 3.32Å; E80-L83 PolarHBondContact O-N 2.98Å; E80-R84 PolarHBondContact O-N 2.78Å; E80-R84 IonicContact OE1-CZ 3.02Å; E80-R84 IonicContact OE1-NE 2.7Å; E80-R84 PolarHBondContact OE1-NE 3.42Å; E80-R84 IonicContact OE1-NH2 2.72Å; E80-R84 PolarHBondContact OE1-NH2 3.02Å; E80-R84 IonicContact OE2-NE 3.33Å; E80-R84 PolarHBondContact OE2-NE 3.33Å
81A97.8Very high97.7Very high38 Ų3850.4 Ų50.431%0.31424%0.239SC..Hα-helixtrans-66.2-36.8174.100000112.8R77 S78 I79 R84 Q85R77-A81 WeakPolarHBondContact O-CB 3.33Å; R77-A81 PolarHBondContact O-N 2.94Å; S78-A81 PolarHBondContact O-N 3.36Å; I79-A81 PolarHBondContact O-N 3.14Å; A81-R84 WeakPolarHBondContact O-CB 3.37Å; A81-R84 PolarHBondContact O-N 2.99Å; A81-Q85 WeakPolarHBondContact O-CG 3.4Å; A81-Q85 PolarHBondContact O-N 3.38Å; A81-Q85 VanDerWaalsContact O-N 3.16Å
82K97.4Very high97.7Very high46 Ų4652 Ų5220%0.225%0.25CS..Hα-helixtrans-66.4-41.7171.5-61.5-65.4175.7100.70111.5S78 I79 R84 Q85 F86 A201 M202 E205S78-K82 WeakPolarHBondContact O-CG 3.43Å; S78-K82 PolarHBondContact O-N 2.93Å; I79-K82 PolarHBondContact O-N 3.2Å; K82-R84 VanDerWaalsContact C-N 3.29Å; K82-R84 PolarHBondContact O-N 2.98Å; K82-Q85 WeakPolarHBondContact O-CB 3.36Å; K82-Q85 PolarHBondContact O-N 3.24Å; K82-F86 WeakPolarHBondContact O-CB 3.45Å; K82-F86 PolarHBondContact O-N 3.03Å; K82-A201 PolarHBondContact NZ-O 3.46Å; K82-M202 HydrophobicContact CB-CB 3.75Å; K82-M202 HydrophobicContact CB-CG 3.95Å; K82-E205 WeakPolarHBondContact CE-OE1 3.42Å; K82-E205 HydrophobicContact CG-CG 3.83Å; K82-E205 IonicContact NZ-OE1 2.64Å; K82-E205 PolarHBondContact NZ-OE1 3.15Å
83L97.8Very high97.7Very high26 Ų2653 Ų5314%0.13626%0.259CS..Hα-helixtrans-61.1-37.6176.7-175.864.6000111.5L34 V38 I79 E80 F86 T87 M202L34-L83 HydrophobicContact CD2-CD1 4.25Å; V38-L83 HydrophobicContact CG2-CB 4.3Å; V38-L83 HydrophobicContact CG2-CD2 3.66Å; V38-L83 HydrophobicContact CG2-CG 3.66Å; I79-L83 WeakPolarHBondContact O-CB 3.23Å; I79-L83 PolarHBondContact O-N 3.46Å; E80-L83 PolarHBondContact O-N 2.98Å; L83-F86 HydrophobicContact CD1-CD1 4.19Å; L83-T87 VanDerWaalsContact O-CB 3.26Å; L83-T87 WeakPolarHBondContact O-CB 3.48Å; L83-T87 PolarHBondContact O-N 3.03Å; L83-T87 PolarHBondContact O-OG1 3.19Å; L83-M202 HydrophobicContact CB-SD 3.86Å; L83-M202 HydrophobicContact CD1-CE 4.47Å; L83-M202 HydrophobicContact CD1-SD 3.68Å; L83-M202 HydrophobicContact CG-SD 4.35Å
84R97.8Very high97.8Very high96 Ų9653.1 Ų53.136%0.36226%0.26SS..Hα-helixtrans-60.2-46.8168.9-73.8-179.3-172.8-84.4-16.9112.5V38 E80 A81 K82 T87 N88V38-R84 HydrophobicContact CG1-CG 3.6Å; V38-R84 VanDerWaalsContact CG1-NH2 3.27Å; V38-R84 HydrophobicContact CG2-CG 4.28Å; E80-R84 PolarHBondContact O-N 2.78Å; E80-R84 IonicContact OE1-CZ 3.02Å; E80-R84 IonicContact OE1-NE 2.7Å; E80-R84 PolarHBondContact OE1-NE 3.42Å; E80-R84 IonicContact OE1-NH2 2.72Å; E80-R84 PolarHBondContact OE1-NH2 3.02Å; E80-R84 IonicContact OE2-NE 3.33Å; E80-R84 PolarHBondContact OE2-NE 3.33Å; A81-R84 WeakPolarHBondContact O-CB 3.37Å; A81-R84 PolarHBondContact O-N 2.99Å; K82-R84 VanDerWaalsContact C-N 3.29Å; K82-R84 PolarHBondContact O-N 2.98Å; R84-T87 PolarHBondContact O-N 3.04Å; R84-N88 WeakPolarHBondContact O-CB 3.45Å; R84-N88 VanDerWaalsContact O-CG 3.25Å; R84-N88 PolarHBondContact O-N 3.11Å; R84-N88 PolarHBondContact O-ND2 3.04Å
85Q97.4Very high97.8Very high119 Ų11947.7 Ų47.756%0.55623%0.233SC*.Hα-helixtrans-63.5-46.7-179.7-69.51688.200111.4A81 K82 N88 A89A81-Q85 WeakPolarHBondContact O-CG 3.4Å; A81-Q85 PolarHBondContact O-N 3.38Å; A81-Q85 VanDerWaalsContact O-N 3.16Å; K82-Q85 WeakPolarHBondContact O-CB 3.36Å; K82-Q85 PolarHBondContact O-N 3.24Å; Q85-N88 PolarHBondContact O-N 3.47Å; Q85-A89 WeakPolarHBondContact O-CB 3.46Å; Q85-A89 PolarHBondContact O-N 3.05Å
86F97.9Very high97.8Very high20 Ų2045.5 Ų45.59%0.08823%0.231CC..Hα-helixtrans-57-48172.2167.9-101.6000112.3L34 K82 L83 N88 A89 L90 V195 E199L34-F86 HydrophobicContact CD1-CD1 4.32Å; L34-F86 HydrophobicContact CD1-CE1 3.71Å; L34-F86 HydrophobicContact CD2-CE1 4.49Å; K82-F86 WeakPolarHBondContact O-CB 3.45Å; K82-F86 PolarHBondContact O-N 3.03Å; L83-F86 HydrophobicContact CD1-CD1 4.19Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 2.99Å; F86-A89 PolarHBondContact O-N 3.03Å; F86-L90 WeakPolarHBondContact O-CB 3.32Å; F86-L90 PolarHBondContact O-N 3.39Å; F86-V195 HydrophobicContact CD2-CG1 4.04Å; F86-V195 WeakPolarHBondContact CD2-O 3.47Å; F86-V195 HydrophobicContact CE2-CG1 3.57Å; F86-V195 HydrophobicContact CZ-CG1 4.32Å; F86-E199 HydrophobicContact CD2-CB 3.94Å; F86-E199 HydrophobicContact CE2-CB 3.77Å; F86-E199 HydrophobicContact CE2-CG 4.3Å
87T98Very high97.8Very high2 Ų243.9 Ų43.91%0.01223%0.226CC..Hα-helixtrans-61.5-42.4179.3-58.60000111.4H31 L34 R35 L83 R84 L90 M91H31-T87 PolarHBondContact CD2-O 3.07Å; H31-T87 VanDerWaalsContact CD2-O 3.25Å; L34-T87 HydrophobicContact CB-CG2 3.91Å; R35-T87 HydrophobicContact CG-CG2 3.61Å; L83-T87 VanDerWaalsContact O-CB 3.26Å; L83-T87 WeakPolarHBondContact O-CB 3.48Å; L83-T87 PolarHBondContact O-N 3.03Å; L83-T87 PolarHBondContact O-OG1 3.19Å; R84-T87 PolarHBondContact O-N 3.04Å; T87-L90 PolarHBondContact O-N 2.77Å; T87-M91 PolarHBondContact O-N 3.46Å
88N97.5Very high97.8Very high81 Ų8140.1 Ų40.143%0.43321%0.212SC..Hα-helixtrans-67.6-42175.8-67.2-15.7000111.6R84 Q85 F86 L90 M91 E92R84-N88 WeakPolarHBondContact O-CB 3.45Å; R84-N88 VanDerWaalsContact O-CG 3.25Å; R84-N88 PolarHBondContact O-N 3.11Å; R84-N88 PolarHBondContact O-ND2 3.04Å; Q85-N88 PolarHBondContact O-N 3.47Å; F86-N88 VanDerWaalsContact C-N 3.34Å; F86-N88 PolarHBondContact O-N 2.99Å; N88-L90 VanDerWaalsContact C-N 3.31Å; N88-L90 PolarHBondContact O-N 3.47Å; N88-M91 PolarHBondContact O-N 2.92Å; N88-M91 VanDerWaalsContact O-N 3.13Å; N88-E92 WeakPolarHBondContact O-CG 3.31Å; N88-E92 PolarHBondContact O-N 3.03Å
89A98.1Very high97.7Very high22 Ų2242.6 Ų42.618%0.18222%0.22CC..Hα-helixtrans-60.7-39.4176.400000112.3Q85 F86 M91 S93Q85-A89 WeakPolarHBondContact O-CB 3.46Å; Q85-A89 PolarHBondContact O-N 3.05Å; F86-A89 PolarHBondContact O-N 3.03Å; A89-M91 VanDerWaalsContact C-N 3.27Å; A89-M91 PolarHBondContact O-N 2.98Å; A89-S93 WeakPolarHBondContact O-CA 3.48Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 2.89Å; A89-S93 PolarHBondContact O-OG 3.38Å
90L98.4Very high97.7Very high9 Ų946.1 Ų46.15%0.04724%0.239CC..Iπ-helixtrans-57-38.5174.3175.461.1000112.2L30 H31 L34 F86 T87 N88 L94 I95 V195L30-L90 HydrophobicContact CD2-CD2 4.27Å; L30-L90 HydrophobicContact CG-CD2 4.25Å; H31-L90 HydrophobicContact CB-CD2 3.96Å; H31-L90 HydrophobicContact CB-CG 4.39Å; L34-L90 HydrophobicContact CD1-CD2 3.78Å; F86-L90 WeakPolarHBondContact O-CB 3.32Å; F86-L90 PolarHBondContact O-N 3.39Å; T87-L90 PolarHBondContact O-N 2.77Å; N88-L90 VanDerWaalsContact C-N 3.31Å; N88-L90 PolarHBondContact O-N 3.47Å; L90-L94 HydrophobicContact CD1-CD2 4.01Å; L90-I95 HydrophobicContact CD1-CD1 4.28Å; L90-I95 HydrophobicContact CD1-CG1 4.45Å; L90-I95 HydrophobicContact CG-CD1 3.9Å; L90-I95 WeakPolarHBondContact O-CD1 3.23Å; L90-I95 VanDerWaalsContact O-CG1 3.28Å; L90-I95 WeakPolarHBondContact O-CG1 3.18Å; L90-I95 PolarHBondContact O-N 2.94Å; L90-V195 HydrophobicContact CB-CG1 4.19Å; L90-V195 HydrophobicContact CD1-CG1 4.23Å
91M98.1Very high97.6Very high34 Ų3448.4 Ų48.417%0.16725%0.248CC..Iπ-helixtrans-74.9-61.4174.6-177.653.364.200112.1H31 T87 N88 A89 S93 I95 T96H31-M91 HydrophobicContact CB-CE 4.44Å; H31-M91 VanDerWaalsContact CE1-CE 3.42Å; H31-M91 WeakPolarHBondContact CE1-CE 3.48Å; H31-M91 WeakPolarHBondContact ND1-CE 3.29Å; T87-M91 PolarHBondContact O-N 3.46Å; N88-M91 PolarHBondContact O-N 2.92Å; N88-M91 VanDerWaalsContact O-N 3.13Å; A89-M91 VanDerWaalsContact C-N 3.27Å; A89-M91 PolarHBondContact O-N 2.98Å; M91-S93 PolarHBondContact O-N 3.22Å; M91-I95 HydrophobicContact CE-CB 4.29Å; M91-I95 HydrophobicContact CE-CD1 3.77Å; M91-I95 HydrophobicContact CE-CG2 4.04Å; M91-I95 PolarHBondContact O-N 2.84Å; M91-I95 HydrophobicContact SD-CB 3.91Å; M91-I95 HydrophobicContact SD-CD1 4.39Å; M91-I95 HydrophobicContact SD-CG2 3.84Å; M91-T96 PolarHBondContact O-N 2.79Å; M91-T96 VanDerWaalsContact O-N 3.07Å; M91-T96 PolarHBondContact O-OG1 3.46Å; M91-T96 PolarHBondContact SD-OG1 3.17Å
92E97.7Very high97.4Very high136 Ų13646.9 Ų46.964%0.63624%0.235SC*.Iπ-helixtrans-72.1-30.4-167.9-57.9-56.8135.300113.5N88 P97N88-E92 WeakPolarHBondContact O-CG 3.31Å; N88-E92 PolarHBondContact O-N 3.03Å; E92-P97 WeakPolarHBondContact O-CD 3.44Å; E92-P97 VanDerWaalsContact O-CG 3.26Å; E92-P97 WeakPolarHBondContact O-CG 3.42Å
93S97.9Very high97.2Very high38 Ų3849.1 Ų49.127%0.26625%0.246SC..Iπ-helixtrans-102.2-22.8-175.7-51.20000114.2A89 M91 F191 P194A89-S93 WeakPolarHBondContact O-CA 3.48Å; A89-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 PolarHBondContact O-N 2.89Å; A89-S93 PolarHBondContact O-OG 3.38Å; M91-S93 PolarHBondContact O-N 3.22Å; S93-F191 WeakPolarHBondContact O-CA 3.22Å; S93-F191 VanDerWaalsContact O-CB 3.29Å; S93-F191 WeakPolarHBondContact O-CB 3.23Å; S93-P194 VanDerWaalsContact CB-CG 3.5Å
94L98.4Very high97Very high3 Ų350.5 Ų50.52%0.01625%0.254CS..Iπ-helixtrans-119.9-56.3-177-178.359.5000114.1F23 L90 L98 F188 F191 L192 V195F23-L94 HydrophobicContact CE1-CD2 4.37Å; F23-L94 HydrophobicContact CZ-CD2 4.29Å; L90-L94 HydrophobicContact CD1-CD2 4.01Å; L94-L98 WeakPolarHBondContact O-CB 3.05Å; L94-L98 PolarHBondContact O-N 3.14Å; L94-F188 HydrophobicContact CD1-CD2 4.09Å; L94-F188 HydrophobicContact CD1-CE2 3.9Å; L94-F191 HydrophobicContact CD1-CB 3.62Å; L94-L192 HydrophobicContact CD2-CD1 3.88Å; L94-V195 HydrophobicContact CB-CG2 3.82Å; L94-V195 HydrophobicContact CD2-CG2 4.27Å
95I98.3Very high96.9Very high1 Ų146.6 Ų46.61%0.00524%0.239CC..Iπ-helixtrans-66.4-57.3-173-67.3161.4000111.5A27 T28 H31 L90 M91 L98 Q99A27-I95 HydrophobicContact CB-CD1 4.05Å; A27-I95 HydrophobicContact CB-CG1 3.72Å; T28-I95 WeakPolarHBondContact OG1-CG2 3.37Å; H31-I95 HydrophobicContact CB-CD1 3.82Å; L90-I95 HydrophobicContact CD1-CD1 4.28Å; L90-I95 HydrophobicContact CD1-CG1 4.45Å; L90-I95 HydrophobicContact CG-CD1 3.9Å; L90-I95 WeakPolarHBondContact O-CD1 3.23Å; L90-I95 VanDerWaalsContact O-CG1 3.28Å; L90-I95 WeakPolarHBondContact O-CG1 3.18Å; L90-I95 PolarHBondContact O-N 2.94Å; M91-I95 HydrophobicContact CE-CB 4.29Å; M91-I95 HydrophobicContact CE-CD1 3.77Å; M91-I95 HydrophobicContact CE-CG2 4.04Å; M91-I95 PolarHBondContact O-N 2.84Å; M91-I95 HydrophobicContact SD-CB 3.91Å; M91-I95 HydrophobicContact SD-CD1 4.39Å; M91-I95 HydrophobicContact SD-CG2 3.84Å; I95-L98 PolarHBondContact O-N 3.03Å; I95-Q99 WeakPolarHBondContact O-CG 3.3Å; I95-Q99 PolarHBondContact O-N 3.38Å; I95-Q99 VanDerWaalsContact O-N 3.09Å
96T97.6Very high96.6Very high53 Ų5343 Ų4333%0.32522%0.222SC..Hα-helixtrans-64.5-49-176.4-51.30000112.1M91 L98 Q99 D100M91-T96 PolarHBondContact O-N 2.79Å; M91-T96 VanDerWaalsContact O-N 3.07Å; M91-T96 PolarHBondContact O-OG1 3.46Å; M91-T96 PolarHBondContact SD-OG1 3.17Å; T96-L98 VanDerWaalsContact C-N 3.28Å; T96-L98 PolarHBondContact O-N 3.49Å; T96-Q99 PolarHBondContact O-N 3.01Å; T96-Q99 VanDerWaalsContact O-N 3.12Å; T96-D100 PolarHBondContact O-N 3.06Å; T96-D100 VanDerWaalsContact O-N 3.16Å
97P97.8Very high96.4Very high31 Ų3147.9 Ų47.920%0.20124%0.243CC..Hα-helixtrans-63.4-31.1179.8-24.337.2000113.7E92 K101 F191E92-P97 WeakPolarHBondContact O-CD 3.44Å; E92-P97 VanDerWaalsContact O-CG 3.26Å; E92-P97 WeakPolarHBondContact O-CG 3.42Å; P97-K101 WeakPolarHBondContact O-CB 3.47Å; P97-K101 VanDerWaalsContact O-CG 3.27Å; P97-K101 WeakPolarHBondContact O-CG 3.27Å; P97-K101 PolarHBondContact O-N 2.94Å; P97-K101 VanDerWaalsContact O-N 3.07Å; P97-F191 HydrophobicContact CB-CD1 4.04Å; P97-F191 HydrophobicContact CB-CD2 4.16Å; P97-F191 HydrophobicContact CB-CE1 3.66Å; P97-F191 HydrophobicContact CB-CE2 3.78Å; P97-F191 HydrophobicContact CB-CG 4.29Å; P97-F191 HydrophobicContact CB-CZ 3.5Å; P97-F191 WeakPolarHBondContact O-CE2 3.26Å
98L97.6Very high96.1Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-71.2-39174.9-177.161.5000111.9W20 F23 L94 I95 T96 K101 I102 W105 F188 F191W20-L98 HydrophobicContact CE3-CD1 4.16Å; W20-L98 HydrophobicContact CE3-CD2 4.44Å; F23-L98 HydrophobicContact CD1-CD2 3.6Å; F23-L98 HydrophobicContact CE1-CD2 3.85Å; L94-L98 WeakPolarHBondContact O-CB 3.05Å; L94-L98 PolarHBondContact O-N 3.14Å; I95-L98 PolarHBondContact O-N 3.03Å; T96-L98 VanDerWaalsContact C-N 3.28Å; T96-L98 PolarHBondContact O-N 3.49Å; L98-K101 PolarHBondContact O-N 3.02Å; L98-I102 HydrophobicContact CD1-CG1 4.42Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 WeakPolarHBondContact O-CD1 3.47Å; L98-I102 VanDerWaalsContact O-CG1 3.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 2.99Å; L98-W105 HydrophobicContact CD1-CH2 3.76Å; L98-W105 HydrophobicContact CD1-CZ3 3.78Å; L98-F188 HydrophobicContact CD1-CD2 4.45Å; L98-F188 HydrophobicContact CD2-CD2 4.28Å; L98-F188 HydrophobicContact CD2-CE2 4.42Å; L98-F191 HydrophobicContact CB-CD2 4.31Å
99Q96.1Very high95.7Very high87 Ų8747 Ų4741%0.40724%0.241SC..Hα-helixtrans-60.7-47176.2-73.1173.44.700111.3S24 I95 T96 K101 I102S24-Q99 WeakPolarHBondContact OG-CG 3.43Å; S24-Q99 PolarHBondContact OG-NE2 2.88Å; I95-Q99 WeakPolarHBondContact O-CG 3.3Å; I95-Q99 PolarHBondContact O-N 3.38Å; I95-Q99 VanDerWaalsContact O-N 3.09Å; T96-Q99 PolarHBondContact O-N 3.01Å; T96-Q99 VanDerWaalsContact O-N 3.12Å; Q99-K101 PolarHBondContact O-N 3.07Å; Q99-I102 PolarHBondContact O-N 3.33Å
100D95.9Very high95.4Very high103 Ų10349 Ų4955%0.55125%0.248SC*.Hα-helixtrans-61.8-42175-69.8-30.6000111.9T96 E103 D104T96-D100 PolarHBondContact O-N 3.06Å; T96-D100 VanDerWaalsContact O-N 3.16Å; D100-E103 PolarHBondContact O-N 2.81Å; D100-D104 PolarHBondContact O-N 3.07Å
101K95.3Very high95.1Very high71 Ų7152.8 Ų52.831%0.30927%0.266SS..Hα-helixtrans-70.1-30.9-178.5-75.4-67.1148.9-146.30114.2P97 L98 Q99 E103 D104 W105 F191P97-K101 WeakPolarHBondContact O-CB 3.47Å; P97-K101 VanDerWaalsContact O-CG 3.27Å; P97-K101 WeakPolarHBondContact O-CG 3.27Å; P97-K101 PolarHBondContact O-N 2.94Å; P97-K101 VanDerWaalsContact O-N 3.07Å; L98-K101 PolarHBondContact O-N 3.02Å; Q99-K101 PolarHBondContact O-N 3.07Å; K101-E103 VanDerWaalsContact C-N 3.28Å; K101-E103 PolarHBondContact O-N 3.26Å; K101-D104 IonicContact NZ-OD2 2.69Å; K101-D104 PolarHBondContact NZ-OD2 3.14Å; K101-D104 PolarHBondContact O-N 3.28Å; K101-W105 HydrophobicContact CB-CD2 4.27Å; K101-W105 HydrophobicContact CB-CH2 4.28Å; K101-W105 HydrophobicContact CB-CZ2 3.9Å; K101-W105 WeakPolarHBondContact O-CB 3.33Å; K101-W105 VanDerWaalsContact O-CD2 3.29Å; K101-W105 PolarHBondContact O-N 3.44Å; K101-F191 HydrophobicContact CB-CE2 4.34Å; K101-F191 HydrophobicContact CG-CE2 3.88Å; K101-F191 HydrophobicContact CG-CZ 3.78Å
102I94.9Very high94.7Very high6 Ų652.5 Ų52.53%0.03127%0.265CS..Hα-helixtrans-57.9-43.2174.7-72.6160.6000110.6W20 E21 L98 Q99 W105 K106W20-I102 HydrophobicContact CB-CD1 3.69Å; W20-I102 HydrophobicContact CB-CG1 3.83Å; E21-I102 HydrophobicContact CG-CD1 4.48Å; E21-I102 HydrophobicContact CG-CG2 4.28Å; L98-I102 HydrophobicContact CD1-CG1 4.42Å; L98-I102 HydrophobicContact CG-CD1 4.15Å; L98-I102 WeakPolarHBondContact O-CD1 3.47Å; L98-I102 VanDerWaalsContact O-CG1 3.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 2.99Å; Q99-I102 PolarHBondContact O-N 3.33Å; I102-W105 HydrophobicContact CG1-CE3 4.32Å; I102-W105 HydrophobicContact CG1-CZ3 4.37Å; I102-W105 PolarHBondContact O-N 2.99Å; I102-K106 HydrophobicContact CG2-CD 4.4Å; I102-K106 VanDerWaalsContact O-CG 3.31Å; I102-K106 WeakPolarHBondContact O-CG 3.08Å; I102-K106 PolarHBondContact O-N 3.45Å
103E92.7Very high94.3Very high93 Ų9349 Ų4944%0.43525%0.251SS..Hα-helixtrans-69.6-36.7177.4-71.5-55.7126.200112.9D100 K101 K106 K107D100-E103 PolarHBondContact O-N 2.81Å; K101-E103 VanDerWaalsContact C-N 3.28Å; K101-E103 PolarHBondContact O-N 3.26Å; E103-K106 WeakPolarHBondContact OE1-CD 3.16Å; E103-K106 WeakPolarHBondContact OE1-CE 3.45Å; E103-K106 IonicContact OE1-NZ 2.82Å; E103-K106 PolarHBondContact OE1-NZ 2.87Å; E103-K107 WeakPolarHBondContact O-CE 3.35Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.45Å; E103-K107 PolarHBondContact O-N 3.29Å
104D94.5Very high94Very high56 Ų5652.6 Ų52.630%0.29926%0.261SS..Hα-helixtrans-65-44.4172.3-77.8-12.9000112.4D100 K101 K106 K107 T108D100-D104 PolarHBondContact O-N 3.07Å; K101-D104 IonicContact NZ-OD2 2.69Å; K101-D104 PolarHBondContact NZ-OD2 3.14Å; K101-D104 PolarHBondContact O-N 3.28Å; D104-K106 VanDerWaalsContact C-N 3.3Å; D104-K106 PolarHBondContact O-N 3.44Å; D104-K107 WeakPolarHBondContact O-CA 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.29Å; D104-K107 PolarHBondContact O-N 3.13Å; D104-K107 IonicContact OD1-NZ 3.61Å; D104-K107 PolarHBondContact OD1-NZ 3.48Å; D104-T108 PolarHBondContact O-N 2.91Å; D104-T108 PolarHBondContact O-OG1 2.73Å
105W94.6Very high93.7Very high14 Ų1455.2 Ų55.25%0.05328%0.275CS..Hα-helixtrans-61.6-37.4177.6-66.7-25.7000112.3Y17 W20 L98 K101 I102 K107 T108 A109 R184 T187Y17-W105 HydrophobicContact CE1-CB 4.03Å; Y17-W105 PolarHBondContact OH-O 3.41Å; Y17-W105 VanDerWaalsContact OH-O 3.11Å; W20-W105 HydrophobicContact CD2-CZ3 4.23Å; W20-W105 HydrophobicContact CG-CZ3 4.42Å; L98-W105 HydrophobicContact CD1-CH2 3.76Å; L98-W105 HydrophobicContact CD1-CZ3 3.78Å; K101-W105 HydrophobicContact CB-CD2 4.27Å; K101-W105 HydrophobicContact CB-CH2 4.28Å; K101-W105 HydrophobicContact CB-CZ2 3.9Å; K101-W105 WeakPolarHBondContact O-CB 3.33Å; K101-W105 VanDerWaalsContact O-CD2 3.29Å; K101-W105 PolarHBondContact O-N 3.44Å; I102-W105 HydrophobicContact CG1-CE3 4.32Å; I102-W105 HydrophobicContact CG1-CZ3 4.37Å; I102-W105 PolarHBondContact O-N 2.99Å; W105-K107 VanDerWaalsContact C-N 3.34Å; W105-K107 PolarHBondContact O-N 3.01Å; W105-T108 PolarHBondContact O-N 3.24Å; W105-A109 PolarHBondContact O-N 3.47Å; W105-R184 HydrophobicContact CD2-CB 4.32Å; W105-R184 HydrophobicContact CD2-CG 3.75Å; W105-R184 HydrophobicContact CE3-CG 4.26Å; W105-R184 HydrophobicContact CG-CG 3.95Å; W105-R184 HydrophobicContact CH2-CB 4.15Å; W105-R184 HydrophobicContact CZ2-CB 3.94Å; W105-R184 HydrophobicContact CZ2-CG 4.13Å; W105-R184 HydrophobicContact CZ3-CB 4.42Å; W105-R184 PolarHBondContact O-NH2 3.44Å; W105-T187 HydrophobicContact CZ2-CG2 4.17Å
106K92Very high93.4Very high44 Ų4456.3 Ų56.319%0.19128%0.281CS..Hα-helixtrans-58.2-43.9169.9-73.6168.6-171.9173.80111.4Y17 E21 I102 E103 D104 N110Y17-K106 HydrophobicContact CD1-CG 3.9Å; Y17-K106 HydrophobicContact CD2-CG 3.85Å; Y17-K106 HydrophobicContact CE1-CG 3.8Å; Y17-K106 HydrophobicContact CE2-CG 3.73Å; Y17-K106 HydrophobicContact CG-CG 3.96Å; E21-K106 WeakPolarHBondContact OE1-CE 3.14Å; E21-K106 IonicContact OE1-NZ 3.65Å; E21-K106 PolarHBondContact OE1-NZ 3.48Å; I102-K106 HydrophobicContact CG2-CD 4.4Å; I102-K106 VanDerWaalsContact O-CG 3.31Å; I102-K106 WeakPolarHBondContact O-CG 3.08Å; I102-K106 PolarHBondContact O-N 3.45Å; E103-K106 WeakPolarHBondContact OE1-CD 3.16Å; E103-K106 WeakPolarHBondContact OE1-CE 3.45Å; E103-K106 IonicContact OE1-NZ 2.82Å; E103-K106 PolarHBondContact OE1-NZ 2.87Å; D104-K106 VanDerWaalsContact C-N 3.3Å; D104-K106 PolarHBondContact O-N 3.44Å; K106-N110 WeakPolarHBondContact O-CB 3.23Å; K106-N110 PolarHBondContact O-N 3.07Å; K106-N110 PolarHBondContact O-ND2 3.06Å
107K92.7Very high93.1Very high122 Ų12255.1 Ų55.153%0.5328%0.276SS..Hα-helixtrans-64.5-47.6177-60.7158.5-149.6156.80111.2E103 D104 W105 N110 Q111E103-K107 WeakPolarHBondContact O-CE 3.35Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.45Å; E103-K107 PolarHBondContact O-N 3.29Å; D104-K107 WeakPolarHBondContact O-CA 3.36Å; D104-K107 WeakPolarHBondContact O-CB 3.29Å; D104-K107 PolarHBondContact O-N 3.13Å; D104-K107 IonicContact OD1-NZ 3.61Å; D104-K107 PolarHBondContact OD1-NZ 3.48Å; W105-K107 VanDerWaalsContact C-N 3.34Å; W105-K107 PolarHBondContact O-N 3.01Å; K107-N110 CarbonylContact O-C 3.59Å; K107-N110 PolarHBondContact O-N 3.36Å; K107-Q111 PolarHBondContact O-N 3.45Å
108T91.7Very high92.9Very high56 Ų5660.2 Ų60.234%0.34430%0.295SS..Hα-helixtrans-63.1-46.4-177.8-55.80000112.6D104 W105 N110 Q111 L112 E180D104-T108 PolarHBondContact O-N 2.91Å; D104-T108 PolarHBondContact O-OG1 2.73Å; W105-T108 PolarHBondContact O-N 3.24Å; T108-N110 PolarHBondContact O-N 3.16Å; T108-Q111 WeakPolarHBondContact O-CB 3.3Å; T108-Q111 PolarHBondContact O-N 3.41Å; T108-L112 HydrophobicContact CG2-CD1 4.29Å; T108-L112 PolarHBondContact O-N 3.42Å; T108-E180 HydrophobicContact CG2-CG 4.36Å
109A90Very high92.6Very high7 Ų763 Ų636%0.05831%0.308CS..Hα-helixtrans-61.5-43.7176.100000112.1Y17 W105 Q111 L112 D113Y17-A109 WeakPolarHBondContact OH-CB 3.26Å; W105-A109 PolarHBondContact O-N 3.47Å; A109-Q111 PolarHBondContact O-N 2.93Å; A109-L112 PolarHBondContact O-N 3.05Å; A109-D113 WeakPolarHBondContact O-CB 3.13Å; A109-D113 PolarHBondContact O-N 3.17Å
110N90.4Very high92.4Very high64 Ų6462.1 Ų62.134%0.34230%0.301SS..Hα-helixtrans-65.8-12.7174.3-84.6-72.8000113.7K106 K107 T108 K114K106-N110 WeakPolarHBondContact O-CB 3.23Å; K106-N110 PolarHBondContact O-N 3.07Å; K106-N110 PolarHBondContact O-ND2 3.06Å; K107-N110 CarbonylContact O-C 3.59Å; K107-N110 PolarHBondContact O-N 3.36Å; T108-N110 PolarHBondContact O-N 3.16Å; N110-K114 WeakPolarHBondContact O-CD 3.37Å; N110-K114 WeakPolarHBondContact O-CE 3.35Å; N110-K114 WeakPolarHBondContact O-CG 3.47Å; N110-K114 PolarHBondContact O-NZ 3.19Å
111Q92.4Very high92.4Very high89 Ų8964.1 Ų64.142%0.41631%0.305SS..Hα-helixtrans-93.8-44174.1-173.255.637.500111K107 T108 A109 D113 K114 D115K107-Q111 PolarHBondContact O-N 3.45Å; T108-Q111 WeakPolarHBondContact O-CB 3.3Å; T108-Q111 PolarHBondContact O-N 3.41Å; A109-Q111 PolarHBondContact O-N 2.93Å; Q111-D113 VanDerWaalsContact C-N 3.34Å; Q111-D113 PolarHBondContact O-N 2.94Å; Q111-K114 PolarHBondContact O-N 3.04Å; Q111-D115 PolarHBondContact NE2-OD1 3.37Å; Q111-D115 PolarHBondContact NE2-OD2 3.22Å; Q111-D115 PolarHBondContact O-N 3.45Å
112L90.1Very high92.4Very high28 Ų2867.5 Ų67.515%0.14732%0.316CS..Hα-helixtrans-56.4-45.5174.5-71.4172000112.2Y10 T108 A109 D115 H116 R176 E180Y10-L112 HydrophobicContact CE1-CB 4.11Å; T108-L112 HydrophobicContact CG2-CD1 4.29Å; T108-L112 PolarHBondContact O-N 3.42Å; A109-L112 PolarHBondContact O-N 3.05Å; L112-D115 PolarHBondContact O-N 3.24Å; L112-H116 WeakPolarHBondContact O-CB 3.5Å; L112-H116 PolarHBondContact O-N 3.22Å; L112-R176 HydrophobicContact CD2-CB 4.22Å; L112-E180 HydrophobicContact CD1-CB 4.02Å; L112-E180 HydrophobicContact CD1-CG 3.98Å
113D88.9Confident92.4Very high63 Ų6367.5 Ų67.534%0.33732%0.316SS..Hα-helixtrans-60.6-46.3175.7172.763000112.2A109 Q111 D115 H116 A117A109-D113 WeakPolarHBondContact O-CB 3.13Å; A109-D113 PolarHBondContact O-N 3.17Å; Q111-D113 VanDerWaalsContact C-N 3.34Å; Q111-D113 PolarHBondContact O-N 2.94Å; D113-D115 PolarHBondContact O-N 3.02Å; D113-H116 PolarHBondContact O-N 3.43Å; D113-A117 WeakPolarHBondContact O-CB 3.41Å; D113-A117 PolarHBondContact O-N 3.33Å
114K93.1Very high92.5Very high113 Ų11371.1 Ų71.149%0.49133%0.326SS..Hα-helixtrans-62.3-42.8177.5-72.3172.9-162.4129.60112.5N110 Q111 K118N110-K114 WeakPolarHBondContact O-CD 3.37Å; N110-K114 WeakPolarHBondContact O-CE 3.35Å; N110-K114 WeakPolarHBondContact O-CG 3.47Å; N110-K114 PolarHBondContact O-NZ 3.19Å; Q111-K114 PolarHBondContact O-N 3.04Å; K114-K118 WeakPolarHBondContact O-CB 3.2Å; K114-K118 PolarHBondContact O-N 3.21Å
115D90.8Very high92.6Very high58 Ų5874.6 Ų74.631%0.3134%0.34SS..Hα-helixtrans-72.1-38.8-178.4-72.5-33.1000111.6Q111 L112 D113 K118 E119Q111-D115 PolarHBondContact NE2-OD1 3.37Å; Q111-D115 PolarHBondContact NE2-OD2 3.22Å; Q111-D115 PolarHBondContact O-N 3.45Å; L112-D115 PolarHBondContact O-N 3.24Å; D113-D115 PolarHBondContact O-N 3.02Å; D115-K118 PolarHBondContact O-N 3.22Å; D115-E119 PolarHBondContact O-N 2.87Å
116H91.8Very high92.7Very high25 Ų2577.4 Ų77.412%0.11635%0.354CS..Hα-helixtrans-60.5-54.8169.8175.8-108.2000111.3Y10 L112 D113 K118 E119 Y120 E170 A173Y10-H116 HydrophobicContact CE2-CB 4.4Å; L112-H116 WeakPolarHBondContact O-CB 3.5Å; L112-H116 PolarHBondContact O-N 3.22Å; D113-H116 PolarHBondContact O-N 3.43Å; H116-K118 PolarHBondContact O-N 3.07Å; H116-K118 VanDerWaalsContact O-N 3.14Å; H116-E119 PolarHBondContact O-N 3.22Å; H116-Y120 VanDerWaalsContact O-CB 3.27Å; H116-Y120 WeakPolarHBondContact O-CB 3.33Å; H116-Y120 PolarHBondContact O-N 2.86Å; H116-E170 IonicContact CD2-OE1 3.5Å; H116-E170 PolarHBondContact CD2-OE1 3.04Å; H116-E170 IonicContact CE1-OE1 3.55Å; H116-E170 IonicContact CE1-OE2 3.19Å; H116-E170 VanDerWaalsContact NE2-CD 3.27Å; H116-E170 IonicContact NE2-OE1 2.7Å; H116-E170 PolarHBondContact NE2-OE1 3.29Å; H116-E170 IonicContact NE2-OE2 2.73Å; H116-E170 PolarHBondContact NE2-OE2 2.96Å; H116-A173 VanDerWaalsContact CD2-CB 3.47Å; H116-A173 WeakPolarHBondContact CD2-CB 3.41Å
117A92.1Very high92.9Very high27 Ų2776.5 Ų76.522%0.22335%0.351CS..Hα-helixtrans-64.2-21-178.800000113.6D113 K121D113-A117 WeakPolarHBondContact O-CB 3.41Å; D113-A117 PolarHBondContact O-N 3.33Å; A117-K121 WeakPolarHBondContact O-CD 3.5Å; A117-K121 VanDerWaalsContact O-CE 3.29Å; A117-K121 WeakPolarHBondContact O-CE 3.15Å; A117-K121 WeakPolarHBondContact O-CG 3.18Å
118K93.4Very high93.1Very high138 Ų13878.2 Ų78.260%0.636%0.359SS*.Hα-helixtrans-79.4-52.9172.2176.7-174.2171.7-166.80111.3K114 D115 H116 K121 R122K114-K118 WeakPolarHBondContact O-CB 3.2Å; K114-K118 PolarHBondContact O-N 3.21Å; D115-K118 PolarHBondContact O-N 3.22Å; H116-K118 PolarHBondContact O-N 3.07Å; H116-K118 VanDerWaalsContact O-N 3.14Å; K118-K121 PolarHBondContact O-N 3.36Å; K118-R122 PolarHBondContact O-N 3.07Å; K118-R122 VanDerWaalsContact O-N 3.11Å
119E91.9Very high93.4Very high59 Ų5981.6 Ų81.628%0.27637%0.368SS..Hα-helixtrans-70.4-41.2-175.2-157.460.3-147.700111.4D115 H116 K121 R122 S123 T169D115-E119 PolarHBondContact O-N 2.87Å; H116-E119 PolarHBondContact O-N 3.22Å; E119-K121 VanDerWaalsContact C-N 3.3Å; E119-K121 PolarHBondContact O-N 3.24Å; E119-R122 CarbonylContact O-C 3.55Å; E119-R122 WeakPolarHBondContact O-CA 3.11Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.19Å; E119-R122 WeakPolarHBondContact OE1-CD 3.39Å; E119-R122 IonicContact OE1-CZ 2.8Å; E119-R122 IonicContact OE1-NE 2.69Å; E119-R122 IonicContact OE1-NH1 2.69Å; E119-R122 PolarHBondContact OE1-NH1 3.49Å; E119-R122 IonicContact OE2-NH1 3.89Å; E119-S123 PolarHBondContact O-N 3.09Å; E119-S123 PolarHBondContact O-OG 3.18Å; E119-T169 HydrophobicContact CG-CG2 4.12Å
120Y91.8Very high93.7Very high69 Ų6983.6 Ų83.627%0.27138%0.376SS..Hα-helixtrans-56-42173.7179-108000112.5H116 R122 R124 M166 E170H116-Y120 VanDerWaalsContact O-CB 3.27Å; H116-Y120 WeakPolarHBondContact O-CB 3.33Å; H116-Y120 PolarHBondContact O-N 2.86Å; Y120-R122 VanDerWaalsContact C-N 3.35Å; Y120-R122 PolarHBondContact O-N 3.45Å; Y120-R124 VanDerWaalsContact O-CB 3.23Å; Y120-R124 WeakPolarHBondContact O-CB 3.33Å; Y120-R124 PolarHBondContact O-N 3.24Å; Y120-M166 HydrophobicContact CE2-SD 4.37Å; Y120-E170 WeakPolarHBondContact CD2-OE1 3.45Å
121K95.4Very high94Very high144 Ų14482.7 Ų82.763%0.62638%0.375SS*.Hα-helixtrans-65.8-36.5175-74.4172.5-163.5152.90112.2A117 K118 E119 H125A117-K121 WeakPolarHBondContact O-CD 3.5Å; A117-K121 VanDerWaalsContact O-CE 3.29Å; A117-K121 WeakPolarHBondContact O-CE 3.15Å; A117-K121 WeakPolarHBondContact O-CG 3.18Å; K118-K121 PolarHBondContact O-N 3.36Å; E119-K121 VanDerWaalsContact C-N 3.3Å; E119-K121 PolarHBondContact O-N 3.24Å; K121-H125 WeakPolarHBondContact O-CB 3.1Å; K121-H125 PolarHBondContact O-N 3.29Å; K121-H125 VanDerWaalsContact O-N 3.09Å
122R95.3Very high94.2Very high143 Ų14381 Ų8154%0.5437%0.372SS..Hα-helixtrans-67.1-55.9175.7175.7177.5166.9-152.57.2111.3K118 E119 Y120 R124 H125 E126K118-R122 PolarHBondContact O-N 3.07Å; K118-R122 VanDerWaalsContact O-N 3.11Å; E119-R122 CarbonylContact O-C 3.55Å; E119-R122 WeakPolarHBondContact O-CA 3.11Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.19Å; E119-R122 WeakPolarHBondContact OE1-CD 3.39Å; E119-R122 IonicContact OE1-CZ 2.8Å; E119-R122 IonicContact OE1-NE 2.69Å; E119-R122 IonicContact OE1-NH1 2.69Å; E119-R122 PolarHBondContact OE1-NH1 3.49Å; E119-R122 IonicContact OE2-NH1 3.89Å; Y120-R122 VanDerWaalsContact C-N 3.35Å; Y120-R122 PolarHBondContact O-N 3.45Å; R122-R124 VanDerWaalsContact C-N 3.3Å; R122-R124 PolarHBondContact O-N 3.44Å; R122-H125 WeakPolarHBondContact O-CB 3.41Å; R122-H125 PolarHBondContact O-N 3.5Å; R122-E126 PolarHBondContact O-N 3.32Å
123S93.9Very high94.5Very high6 Ų683 Ų834%0.04238%0.384CS..Hα-helixtrans-56.1-44.5179.6-49.60000111.3E119 H125 E126 I127E119-S123 PolarHBondContact O-N 3.09Å; E119-S123 PolarHBondContact O-OG 3.18Å; S123-H125 PolarHBondContact O-N 2.98Å; S123-E126 PolarHBondContact O-N 3.3Å; S123-I127 VanDerWaalsContact O-CG1 3.32Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.41Å
124R95.1Very high94.8Very high168 Ų16880.8 Ų80.863%0.63437%0.372SS*.Hα-helixtrans-61.8-39.5175.5-168.3-168.9-172.3-132.95.4113Y120 R122 K128Y120-R124 VanDerWaalsContact O-CB 3.23Å; Y120-R124 WeakPolarHBondContact O-CB 3.33Å; Y120-R124 PolarHBondContact O-N 3.24Å; R122-R124 VanDerWaalsContact C-N 3.3Å; R122-R124 PolarHBondContact O-N 3.44Å; R124-K128 WeakPolarHBondContact O-CB 3.28Å; R124-K128 PolarHBondContact O-N 3.27Å; R124-K128 VanDerWaalsContact O-N 3.07Å
125H96.8Very high94.9Very high130 Ų13079.1 Ų79.160%0.60237%0.368SS*.Hα-helixtrans-66.5-41.3175.7179.290.6000111.4K121 R122 S123 K128 K129K121-H125 WeakPolarHBondContact O-CB 3.1Å; K121-H125 PolarHBondContact O-N 3.29Å; K121-H125 VanDerWaalsContact O-N 3.09Å; R122-H125 WeakPolarHBondContact O-CB 3.41Å; R122-H125 PolarHBondContact O-N 3.5Å; S123-H125 PolarHBondContact O-N 2.98Å; H125-K128 PolarHBondContact O-N 3.48Å; H125-K129 WeakPolarHBondContact O-CB 3.41Å; H125-K129 PolarHBondContact O-N 3.39Å
126E96.1Very high95Very high73 Ų7381.3 Ų81.334%0.34137%0.374SS..Hα-helixtrans-69.3-42.6-178.3-166.1151.9-160.900112.2R122 S123 K128 K129 K130 M162R122-E126 PolarHBondContact O-N 3.32Å; S123-E126 PolarHBondContact O-N 3.3Å; E126-K128 PolarHBondContact O-N 2.93Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 3.16Å; E126-K130 PolarHBondContact O-N 3.09Å; E126-M162 HydrophobicContact CB-CE 4.05Å; E126-M162 HydrophobicContact CG-CE 3.8Å; E126-M162 HydrophobicContact CG-SD 4.47Å
127I96.8Very high95.1Very high24 Ų2481.1 Ų81.112%0.12337%0.374CS..Hα-helixtrans-57.2-48.7168.5-67.7162.3000110.5S123 K129 K130 S131 M162 M166S123-I127 VanDerWaalsContact O-CG1 3.32Å; S123-I127 WeakPolarHBondContact O-CG1 3.42Å; S123-I127 PolarHBondContact O-N 3.41Å; I127-K129 VanDerWaalsContact C-N 3.27Å; I127-K129 PolarHBondContact O-N 3.46Å; I127-K130 PolarHBondContact O-N 3.45Å; I127-S131 WeakPolarHBondContact O-CB 3.45Å; I127-S131 PolarHBondContact O-N 3.2Å; I127-M162 HydrophobicContact CG1-CB 3.73Å; I127-M166 HydrophobicContact CD1-CB 3.88Å; I127-M166 HydrophobicContact CD1-CE 3.87Å; I127-M166 HydrophobicContact CD1-CG 4.3Å; I127-M166 HydrophobicContact CD1-SD 3.56Å; I127-M166 VanDerWaalsContact CD1-SD 3.56Å
128K97.6Very high95Very high159 Ų15983.1 Ų83.169%0.69138%0.379SS*.Hα-helixtrans-60.2-37.1178.6-175.3178.6179.3-178.60112.1R124 H125 E126 S132R124-K128 WeakPolarHBondContact O-CB 3.28Å; R124-K128 PolarHBondContact O-N 3.27Å; R124-K128 VanDerWaalsContact O-N 3.07Å; H125-K128 PolarHBondContact O-N 3.48Å; E126-K128 PolarHBondContact O-N 2.93Å; K128-S132 WeakPolarHBondContact O-CB 3.43Å; K128-S132 PolarHBondContact O-N 2.93Å
129K97.4Very high95Very high126 Ų12683.2 Ų83.255%0.54838%0.379SS..Hα-helixtrans-66.3-59.3176.4-176-173.4173.6-1680111H125 E126 I127 S131 S132 D133H125-K129 WeakPolarHBondContact O-CB 3.41Å; H125-K129 PolarHBondContact O-N 3.39Å; E126-K129 WeakPolarHBondContact O-CB 3.48Å; E126-K129 PolarHBondContact O-N 3.16Å; I127-K129 VanDerWaalsContact C-N 3.27Å; I127-K129 PolarHBondContact O-N 3.46Å; K129-S131 VanDerWaalsContact C-N 3.29Å; K129-S131 PolarHBondContact O-N 2.94Å; K129-S132 WeakPolarHBondContact O-CB 3.49Å; K129-S132 PolarHBondContact O-N 3.19Å; K129-S132 VanDerWaalsContact O-N 3.07Å; K129-D133 PolarHBondContact O-N 2.98Å
130K96.3Very high94.9Very high49 Ų4986.8 Ų86.821%0.21339%0.394CS..Hα-helixtrans-57.2-41.7179.4-71-161-174.4-172.20112E126 I127 S132 D133 T134 D158 V159 M162E126-K130 PolarHBondContact O-N 3.09Å; I127-K130 PolarHBondContact O-N 3.45Å; K130-S132 PolarHBondContact O-N 3.15Å; K130-D133 PolarHBondContact O-N 3.28Å; K130-T134 WeakPolarHBondContact O-CB 3.27Å; K130-T134 PolarHBondContact O-N 3.38Å; K130-T134 PolarHBondContact O-OG1 2.92Å; K130-D158 HydrophobicContact CD-CB 4.33Å; K130-D158 WeakPolarHBondContact CD-O 3.26Å; K130-D158 VanDerWaalsContact CD-OD2 3.29Å; K130-D158 WeakPolarHBondContact CD-OD2 3.49Å; K130-D158 WeakPolarHBondContact CE-OD2 3.38Å; K130-D158 PolarHBondContact NZ-O 3.46Å; K130-D158 IonicContact NZ-OD1 3.47Å; K130-D158 PolarHBondContact NZ-OD1 3.18Å; K130-D158 IonicContact NZ-OD2 3.59Å; K130-D158 PolarHBondContact NZ-OD2 3.09Å; K130-V159 HydrophobicContact CB-CG2 3.7Å; K130-M162 HydrophobicContact CD-CG 3.79Å
131S96.8Very high94.7Very high46 Ų4684.6 Ų84.632%0.32239%0.39SS..Hα-helixtrans-60.4-45.2175.2178.40000112.2I127 K129 D133 T134 I135I127-S131 WeakPolarHBondContact O-CB 3.45Å; I127-S131 PolarHBondContact O-N 3.2Å; K129-S131 VanDerWaalsContact C-N 3.29Å; K129-S131 PolarHBondContact O-N 2.94Å; S131-D133 PolarHBondContact O-N 2.89Å; S131-T134 PolarHBondContact O-N 2.84Å; S131-I135 VanDerWaalsContact O-CG1 3.3Å; S131-I135 WeakPolarHBondContact O-CG1 3.36Å; S131-I135 PolarHBondContact O-N 3.49Å
132S97.2Very high94.3Very high52 Ų5287.1 Ų87.136%0.36440%0.396SS..Hα-helixtrans-61.2-42.1176.1-172.40000112.5K128 K129 K130 I135 K136K128-S132 WeakPolarHBondContact O-CB 3.43Å; K128-S132 PolarHBondContact O-N 2.93Å; K129-S132 WeakPolarHBondContact O-CB 3.49Å; K129-S132 PolarHBondContact O-N 3.19Å; K129-S132 VanDerWaalsContact O-N 3.07Å; K130-S132 PolarHBondContact O-N 3.15Å; S132-I135 PolarHBondContact O-N 3.01Å; S132-K136 WeakPolarHBondContact O-CE 3.46Å; S132-K136 VanDerWaalsContact O-CG 3.32Å; S132-K136 WeakPolarHBondContact O-CG 3.33Å; S132-K136 PolarHBondContact O-N 3.23Å; S132-K136 VanDerWaalsContact O-N 3.14Å; S132-K136 WeakPolarHBondContact OG-CE 3.22Å; S132-K136 PolarHBondContact OG-NZ 3.16Å
133D95.1Very high93.9Very high72 Ų7288.6 Ų88.639%0.38541%0.406SS..Hα-helixtrans-71.8-35.6179-68.4-38.1000112.3K129 K130 S131 K136 L137K129-D133 PolarHBondContact O-N 2.98Å; K130-D133 PolarHBondContact O-N 3.28Å; S131-D133 PolarHBondContact O-N 2.89Å; D133-K136 WeakPolarHBondContact O-CB 3.48Å; D133-K136 PolarHBondContact O-N 3.27Å; D133-K136 IonicContact OD1-NZ 3.17Å; D133-K136 PolarHBondContact OD1-NZ 3.11Å; D133-L137 PolarHBondContact O-N 3.38Å
134T95.5Very high92.6Very high16 Ų1691.6 Ų91.610%0.09844%0.438CS..Hα-helixtrans-62.5-42.6171.9-55.60000111.5K130 S131 K136 L137 Q138 L152 A155 M156K130-T134 WeakPolarHBondContact O-CB 3.27Å; K130-T134 PolarHBondContact O-N 3.38Å; K130-T134 PolarHBondContact O-OG1 2.92Å; S131-T134 PolarHBondContact O-N 2.84Å; T134-K136 VanDerWaalsContact C-N 3.32Å; T134-K136 PolarHBondContact O-N 3.22Å; T134-L137 PolarHBondContact O-N 3.39Å; T134-L137 VanDerWaalsContact O-N 3.15Å; T134-Q138 WeakPolarHBondContact O-CB 3.37Å; T134-Q138 PolarHBondContact O-N 2.99Å; T134-L152 HydrophobicContact CG2-CD1 4.08Å; T134-A155 HydrophobicContact CG2-CB 4.06Å; T134-A155 PolarHBondContact OG1-O 3.41Å; T134-M156 HydrophobicContact CG2-CG 3.69Å
135I95.4Very high90.8Very high77 Ų7794 Ų9440%0.39545%0.447SS..Hα-helixtrans-63.3-36.6174.2-68.4163.1000111.4S131 S132 K139S131-I135 VanDerWaalsContact O-CG1 3.3Å; S131-I135 WeakPolarHBondContact O-CG1 3.36Å; S131-I135 PolarHBondContact O-N 3.49Å; S132-I135 PolarHBondContact O-N 3.01Å; I135-K139 HydrophobicContact CG2-CD 4.4Å; I135-K139 WeakPolarHBondContact O-CB 3.39Å; I135-K139 WeakPolarHBondContact O-CG 3.39Å; I135-K139 PolarHBondContact O-N 3.31Å; I135-K139 VanDerWaalsContact O-N 3.11Å
136K93.7Very high89.4Confident104 Ų10490.9 Ų90.945%0.45245%0.45SS..Hα-helixtrans-66.1-39.5173.6-65.5163.3-151.1164.10111.2S132 D133 T134 K139 K140S132-K136 WeakPolarHBondContact O-CE 3.46Å; S132-K136 VanDerWaalsContact O-CG 3.32Å; S132-K136 WeakPolarHBondContact O-CG 3.33Å; S132-K136 PolarHBondContact O-N 3.23Å; S132-K136 VanDerWaalsContact O-N 3.14Å; S132-K136 WeakPolarHBondContact OG-CE 3.22Å; S132-K136 PolarHBondContact OG-NZ 3.16Å; D133-K136 WeakPolarHBondContact O-CB 3.48Å; D133-K136 PolarHBondContact O-N 3.27Å; D133-K136 IonicContact OD1-NZ 3.17Å; D133-K136 PolarHBondContact OD1-NZ 3.11Å; T134-K136 VanDerWaalsContact C-N 3.32Å; T134-K136 PolarHBondContact O-N 3.22Å; K136-K139 PolarHBondContact O-N 2.79Å; K136-K140 WeakPolarHBondContact O-CG 3.47Å; K136-K140 PolarHBondContact O-N 3.22Å
137L92.4Very high88.5Confident21 Ų2193.8 Ų93.811%0.1147%0.468CS..Hα-helixtrans-68.4-42.9177.4-174.955.4000111.8D133 T134 K139 K140 A141 Q151 L152 A155D133-L137 PolarHBondContact O-N 3.38Å; T134-L137 PolarHBondContact O-N 3.39Å; T134-L137 VanDerWaalsContact O-N 3.15Å; L137-K139 VanDerWaalsContact C-N 3.28Å; L137-K139 PolarHBondContact O-N 3.34Å; L137-K140 WeakPolarHBondContact O-CA 3.18Å; L137-K140 WeakPolarHBondContact O-CB 3.32Å; L137-K140 PolarHBondContact O-N 3.05Å; L137-A141 PolarHBondContact O-N 2.8Å; L137-Q151 HydrophobicContact CD2-CB 4.24Å; L137-Q151 HydrophobicContact CD2-CG 3.91Å; L137-Q151 WeakPolarHBondContact CD2-O 3.46Å; L137-L152 HydrophobicContact CD2-CB 4.47Å; L137-L152 HydrophobicContact CG-CB 4.38Å; L137-A155 HydrophobicContact CD2-CB 3.96Å
138Q91.8Very high88Confident69 Ų6994.5 Ų94.532%0.32247%0.472SS..Hα-helixtrans-57.9-40.4173.6-163.8-172.55300111.8T134 K140 A141 R142 L152T134-Q138 WeakPolarHBondContact O-CB 3.37Å; T134-Q138 PolarHBondContact O-N 2.99Å; Q138-K140 VanDerWaalsContact C-N 3.27Å; Q138-K140 PolarHBondContact O-N 3.47Å; Q138-A141 PolarHBondContact O-N 2.69Å; Q138-R142 WeakPolarHBondContact O-CB 3.46Å; Q138-R142 WeakPolarHBondContact O-CG 3.48Å; Q138-R142 PolarHBondContact O-N 2.86Å; Q138-R142 VanDerWaalsContact O-N 3.07Å; Q138-L152 HydrophobicContact CB-CD1 3.75Å; Q138-L152 HydrophobicContact CB-CD2 4.3Å; Q138-L152 HydrophobicContact CG-CD1 4.2Å; Q138-L152 HydrophobicContact CG-CD2 4.01Å
139K92.3Very high87.6Confident140 Ų14091.2 Ų91.261%0.60946%0.459SS*.Hα-helixtrans-69.5-17.1173.8-72.9177-179.8-175.80114.2I135 K136 L137I135-K139 HydrophobicContact CG2-CD 4.4Å; I135-K139 WeakPolarHBondContact O-CB 3.39Å; I135-K139 WeakPolarHBondContact O-CG 3.39Å; I135-K139 PolarHBondContact O-N 3.31Å; I135-K139 VanDerWaalsContact O-N 3.11Å; K136-K139 PolarHBondContact O-N 2.79Å; L137-K139 VanDerWaalsContact C-N 3.28Å; L137-K139 PolarHBondContact O-N 3.34Å
140K90.2Very high87.3Confident134 Ų13488.9 Ų88.958%0.58346%0.457SS*.Hα-helixtrans-86.6-46.8170.6-70.2173.7178.9-179.20111.4K136 L137 Q138 R142 K143 L148K136-K140 WeakPolarHBondContact O-CG 3.47Å; K136-K140 PolarHBondContact O-N 3.22Å; L137-K140 WeakPolarHBondContact O-CA 3.18Å; L137-K140 WeakPolarHBondContact O-CB 3.32Å; L137-K140 PolarHBondContact O-N 3.05Å; Q138-K140 VanDerWaalsContact C-N 3.27Å; Q138-K140 PolarHBondContact O-N 3.47Å; K140-R142 PolarHBondContact O-N 3.27Å; K140-K143 WeakPolarHBondContact O-CB 3.36Å; K140-K143 PolarHBondContact O-N 3.48Å; K140-L148 HydrophobicContact CB-CD1 3.95Å
141A88.3Confident87.1Confident23 Ų2392 Ų9219%0.1947%0.472CS..Hα-helixtrans-56.9-47.1177.900000111.6L137 Q138 K143 G144 L148 L152L137-A141 PolarHBondContact O-N 2.8Å; Q138-A141 PolarHBondContact O-N 2.69Å; A141-K143 PolarHBondContact O-N 3.37Å; A141-G144 PolarHBondContact O-N 3.46Å; A141-L148 HydrophobicContact CB-CB 4.03Å; A141-L152 HydrophobicContact CB-CD2 4.24Å
142R86Confident86.9Confident198 Ų19890.2 Ų90.275%0.74746%0.459SS*.THydrogen-bonded Turntrans-61.2-5.7174.2-71.2-178.8-178.3-903.1115.2Q138 K140Q138-R142 WeakPolarHBondContact O-CB 3.46Å; Q138-R142 WeakPolarHBondContact O-CG 3.48Å; Q138-R142 PolarHBondContact O-N 2.86Å; Q138-R142 VanDerWaalsContact O-N 3.07Å; K140-R142 PolarHBondContact O-N 3.27Å
143K86.6Confident86.7Confident173 Ų17391 Ų9175%0.75246%0.459SS*.THydrogen-bonded Turntrans-103.913.2174.3-68.3-171.9175.4-166.90113.7K140 A141 R145K140-K143 WeakPolarHBondContact O-CB 3.36Å; K140-K143 PolarHBondContact O-N 3.48Å; A141-K143 PolarHBondContact O-N 3.37Å; K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 3.04Å
144G66.4Low86.8Confident70 Ų7091.3 Ų91.372%0.72247%0.467SS*.THydrogen-bonded Turntrans69.215.9165.100000116.6A141 G146A141-G144 PolarHBondContact O-N 3.46Å; G144-G146 PolarHBondContact O-N 3.3Å
145R58.8Low86.8Confident218 Ų21891.4 Ų91.482%0.82347%0.469SS*.  trans-8882.5176.9-70.3-162.4-167.5-119.28.9111.9K143 L148K143-R145 VanDerWaalsContact C-N 3.31Å; K143-R145 PolarHBondContact O-N 3.04Å; R145-L148 WeakPolarHBondContact O-CD1 3.41Å; R145-L148 WeakPolarHBondContact O-CG 3.45Å
146G66.4Low86.8Confident65 Ų6591.6 Ų91.667%0.6747%0.469SS*.SBendtrans75.3179.4172.800000114.4G144 L148G144-G146 PolarHBondContact O-N 3.3Å; G146-L148 PolarHBondContact O-N 3.33Å
147D78.3Confident87Confident133 Ų13391.4 Ų91.471%0.71147%0.47SS*.SBendtrans-77.672.5-177.1-169.517.2000112.1Q149 P150D147-Q149 VanDerWaalsContact C-N 3.29Å; D147-P150 WeakPolarHBondContact OD1-CD 3.5Å
148L86.1Confident87.2Confident39 Ų3993.7 Ų93.720%0.20448%0.483CS..  trans-85.6-1.8174.8-64.8175.8000112.6K140 A141 R145 G146 Q151 L152K140-L148 HydrophobicContact CB-CD1 3.95Å; A141-L148 HydrophobicContact CB-CB 4.03Å; R145-L148 WeakPolarHBondContact O-CD1 3.41Å; R145-L148 WeakPolarHBondContact O-CG 3.45Å; G146-L148 PolarHBondContact O-N 3.33Å; L148-Q151 PolarHBondContact O-N 3.06Å; L148-L152 WeakPolarHBondContact O-CB 3.41Å; L148-L152 PolarHBondContact O-N 3.38Å
149Q88.4Confident87.5Confident91 Ų9191.5 Ų91.543%0.42547%0.474SS..Hα-helixtrans-63.8-52.9-176.4-171.756.243.200112.6D147 Q151 L152 D153D147-Q149 VanDerWaalsContact C-N 3.29Å; Q149-Q151 PolarHBondContact O-N 2.95Å; Q149-L152 WeakPolarHBondContact O-CA 3.37Å; Q149-L152 WeakPolarHBondContact O-CB 3.29Å; Q149-L152 PolarHBondContact O-N 2.99Å; Q149-D153 PolarHBondContact NE2-OD1 3.33Å; Q149-D153 PolarHBondContact NE2-OD2 3.21Å; Q149-D153 PolarHBondContact O-N 3.35Å; Q149-D153 VanDerWaalsContact O-OD2 3.14Å
150P91.3Very high87.7Confident76 Ų7688.1 Ų88.149%0.49447%0.465SS..Hα-helixtrans-62.7-27.4176.824.7-34.3000113.1D147 S154D147-P150 WeakPolarHBondContact OD1-CD 3.5Å; P150-S154 VanDerWaalsContact O-CB 3.26Å; P150-S154 WeakPolarHBondContact O-CB 3.3Å; P150-S154 PolarHBondContact O-N 3.18Å
151Q91.9Very high88Confident114 Ų11485.3 Ų85.353%0.53346%0.456SS..Hα-helixtrans-72.6-37173.9-160.4-176.94100111.9L137 L148 Q149 A155L137-Q151 HydrophobicContact CD2-CB 4.24Å; L137-Q151 HydrophobicContact CD2-CG 3.91Å; L137-Q151 WeakPolarHBondContact CD2-O 3.46Å; L148-Q151 PolarHBondContact O-N 3.06Å; Q149-Q151 PolarHBondContact O-N 2.95Å; Q151-A155 WeakPolarHBondContact O-CB 3.4Å; Q151-A155 PolarHBondContact O-N 3.18Å
152L93Very high88.4Confident10 Ų1085.1 Ų85.15%0.05245%0.452CS..Hα-helixtrans-65.9-46.2173.3172.162000111.2T134 L137 Q138 A141 L148 Q149 A155 M156T134-L152 HydrophobicContact CG2-CD1 4.08Å; L137-L152 HydrophobicContact CD2-CB 4.47Å; L137-L152 HydrophobicContact CG-CB 4.38Å; Q138-L152 HydrophobicContact CB-CD1 3.75Å; Q138-L152 HydrophobicContact CB-CD2 4.3Å; Q138-L152 HydrophobicContact CG-CD1 4.2Å; Q138-L152 HydrophobicContact CG-CD2 4.01Å; A141-L152 HydrophobicContact CB-CD2 4.24Å; L148-L152 WeakPolarHBondContact O-CB 3.41Å; L148-L152 PolarHBondContact O-N 3.38Å; Q149-L152 WeakPolarHBondContact O-CA 3.37Å; Q149-L152 WeakPolarHBondContact O-CB 3.29Å; Q149-L152 PolarHBondContact O-N 2.99Å; L152-A155 CarbonylContact O-C 3.58Å; L152-A155 PolarHBondContact O-N 3.1Å; L152-A155 VanDerWaalsContact O-N 3.11Å; L152-M156 HydrophobicContact CD1-CG 4.22Å; L152-M156 WeakPolarHBondContact O-CG 3.43Å; L152-M156 PolarHBondContact O-N 3.06Å
153D93.7Very high88.9Confident69 Ų6978.1 Ų78.137%0.36943%0.433SS..Hα-helixtrans-66-41.5-178.5-63-35.7000111.1Q149 A155 M156 Q157Q149-D153 PolarHBondContact NE2-OD1 3.33Å; Q149-D153 PolarHBondContact NE2-OD2 3.21Å; Q149-D153 PolarHBondContact O-N 3.35Å; Q149-D153 VanDerWaalsContact O-OD2 3.14Å; D153-A155 PolarHBondContact O-N 3.04Å; D153-M156 PolarHBondContact O-N 3.08Å; D153-M156 VanDerWaalsContact OD1-CE 3.25Å; D153-M156 WeakPolarHBondContact OD1-CE 3.13Å; D153-Q157 PolarHBondContact O-N 2.97Å
154S96.1Very high89.4Confident78 Ų7874.4 Ų74.455%0.54542%0.421SS..Hα-helixtrans-56.4-46.8167.9172.20000111.8P150 M156 Q157 D158P150-S154 VanDerWaalsContact O-CB 3.26Å; P150-S154 WeakPolarHBondContact O-CB 3.3Å; P150-S154 PolarHBondContact O-N 3.18Å; S154-M156 VanDerWaalsContact C-N 3.35Å; S154-M156 PolarHBondContact O-N 3.17Å; S154-Q157 PolarHBondContact O-N 3.41Å; S154-D158 VanDerWaalsContact O-CB 3.28Å; S154-D158 WeakPolarHBondContact O-CB 3.06Å; S154-D158 PolarHBondContact O-N 3.03Å
155A96.1Very high90.7Very high18 Ų1875.7 Ų75.715%0.14941%0.41CS..Hα-helixtrans-66.6-31.5179.100000113.7T134 L137 Q151 L152 D153 D158 V159T134-A155 HydrophobicContact CG2-CB 4.06Å; T134-A155 PolarHBondContact OG1-O 3.41Å; L137-A155 HydrophobicContact CD2-CB 3.96Å; Q151-A155 WeakPolarHBondContact O-CB 3.4Å; Q151-A155 PolarHBondContact O-N 3.18Å; L152-A155 CarbonylContact O-C 3.58Å; L152-A155 PolarHBondContact O-N 3.1Å; L152-A155 VanDerWaalsContact O-N 3.11Å; D153-A155 PolarHBondContact O-N 3.04Å; A155-D158 WeakPolarHBondContact O-CB 3.48Å; A155-D158 PolarHBondContact O-N 3.48Å; A155-V159 WeakPolarHBondContact O-CG2 3.19Å; A155-V159 PolarHBondContact O-N 2.79Å
156M95.6Very high92.4Very high80 Ų8067.6 Ų67.639%0.39438%0.382SS..Hα-helixtrans-68.8-44.2172.6-69.2-166.1-55.500111.5T134 L152 D153 S154 D158 V159 T160T134-M156 HydrophobicContact CG2-CG 3.69Å; L152-M156 HydrophobicContact CD1-CG 4.22Å; L152-M156 WeakPolarHBondContact O-CG 3.43Å; L152-M156 PolarHBondContact O-N 3.06Å; D153-M156 PolarHBondContact O-N 3.08Å; D153-M156 VanDerWaalsContact OD1-CE 3.25Å; D153-M156 WeakPolarHBondContact OD1-CE 3.13Å; S154-M156 VanDerWaalsContact C-N 3.35Å; S154-M156 PolarHBondContact O-N 3.17Å; M156-D158 VanDerWaalsContact C-N 3.27Å; M156-D158 PolarHBondContact O-N 2.87Å; M156-V159 PolarHBondContact O-N 3.44Å; M156-T160 PolarHBondContact O-N 3.44Å; M156-T160 VanDerWaalsContact O-N 3.09Å; M156-T160 PolarHBondContact O-OG1 3.46Å
157Q97.3Very high93.7Very high100 Ų10068.3 Ų68.347%0.46737%0.368SS..Hα-helixtrans-58.8-42.6172.7-17162.743.300111D153 S154 V159 T160 D161D153-Q157 PolarHBondContact O-N 2.97Å; S154-Q157 PolarHBondContact O-N 3.41Å; Q157-V159 PolarHBondContact O-N 3.06Å; Q157-V159 VanDerWaalsContact O-N 3.12Å; Q157-T160 WeakPolarHBondContact O-CA 3.44Å; Q157-T160 WeakPolarHBondContact O-CB 3.26Å; Q157-T160 PolarHBondContact O-N 3.06Å; Q157-D161 PolarHBondContact NE2-OD1 3.37Å; Q157-D161 PolarHBondContact O-N 3.35Å
158D96.6Very high94.5Very high70 Ų7065.7 Ų65.737%0.37435%0.352SS..Hα-helixtrans-61.2-22179.8-149.139.4000113.5K130 S154 A155 M156 M162K130-D158 HydrophobicContact CD-CB 4.33Å; K130-D158 WeakPolarHBondContact CD-O 3.26Å; K130-D158 VanDerWaalsContact CD-OD2 3.29Å; K130-D158 WeakPolarHBondContact CD-OD2 3.49Å; K130-D158 WeakPolarHBondContact CE-OD2 3.38Å; K130-D158 PolarHBondContact NZ-O 3.46Å; K130-D158 IonicContact NZ-OD1 3.47Å; K130-D158 PolarHBondContact NZ-OD1 3.18Å; K130-D158 IonicContact NZ-OD2 3.59Å; K130-D158 PolarHBondContact NZ-OD2 3.09Å; S154-D158 VanDerWaalsContact O-CB 3.28Å; S154-D158 WeakPolarHBondContact O-CB 3.06Å; S154-D158 PolarHBondContact O-N 3.03Å; A155-D158 WeakPolarHBondContact O-CB 3.48Å; A155-D158 PolarHBondContact O-N 3.48Å; M156-D158 VanDerWaalsContact C-N 3.27Å; M156-D158 PolarHBondContact O-N 2.87Å; D158-M162 VanDerWaalsContact O-CG 3.31Å; D158-M162 WeakPolarHBondContact O-CG 3.46Å
159V97.5Very high94.8Very high23 Ų2365.4 Ų65.414%0.13935%0.352CS..Hα-helixtrans-85.7-43.3170.3173.20000111.4K130 A155 M156 Q157 D161 M162 C163K130-V159 HydrophobicContact CB-CG2 3.7Å; A155-V159 WeakPolarHBondContact O-CG2 3.19Å; A155-V159 PolarHBondContact O-N 2.79Å; M156-V159 PolarHBondContact O-N 3.44Å; Q157-V159 PolarHBondContact O-N 3.06Å; Q157-V159 VanDerWaalsContact O-N 3.12Å; V159-D161 PolarHBondContact O-N 3.46Å; V159-M162 PolarHBondContact O-N 3.12Å; V159-C163 PolarHBondContact O-N 2.96Å; V159-C163 PolarHBondContact O-SG 3.27Å
160T97.1Very high94.9Very high69 Ų6961.7 Ų61.742%0.42333%0.334SS..Hα-helixtrans-57.9-46.6176-58.10000111.4M156 Q157 M162 C163 L164M156-T160 PolarHBondContact O-N 3.44Å; M156-T160 VanDerWaalsContact O-N 3.09Å; M156-T160 PolarHBondContact O-OG1 3.46Å; Q157-T160 WeakPolarHBondContact O-CA 3.44Å; Q157-T160 WeakPolarHBondContact O-CB 3.26Å; Q157-T160 PolarHBondContact O-N 3.06Å; T160-M162 VanDerWaalsContact C-N 3.31Å; T160-M162 PolarHBondContact O-N 3.26Å; T160-C163 WeakPolarHBondContact O-CB 3.39Å; T160-C163 PolarHBondContact O-N 3.07Å; T160-C163 VanDerWaalsContact O-N 3.09Å; T160-L164 HydrophobicContact CG2-CD1 4.32Å; T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 3.4Å
161D97.6Very high94.9Very high75 Ų7561 Ų6140%0.40132%0.324SS..Hα-helixtrans-62.8-37.3178.9-66-13.8000111.8Q157 V159 L164 L165Q157-D161 PolarHBondContact NE2-OD1 3.37Å; Q157-D161 PolarHBondContact O-N 3.35Å; V159-D161 PolarHBondContact O-N 3.46Å; D161-L164 PolarHBondContact O-N 3.47Å; D161-L165 VanDerWaalsContact O-CB 3.31Å; D161-L165 WeakPolarHBondContact O-CB 3.31Å; D161-L165 PolarHBondContact O-N 3.16Å
162M96.2Very high95Very high19 Ų1959.9 Ų59.99%0.09432%0.318CS..Hα-helixtrans-68.4-33.9174.1-75.1-60.6-47.300112.8E126 I127 K130 D158 V159 T160 L165 M166E126-M162 HydrophobicContact CB-CE 4.05Å; E126-M162 HydrophobicContact CG-CE 3.8Å; E126-M162 HydrophobicContact CG-SD 4.47Å; I127-M162 HydrophobicContact CG1-CB 3.73Å; K130-M162 HydrophobicContact CD-CG 3.79Å; D158-M162 VanDerWaalsContact O-CG 3.31Å; D158-M162 WeakPolarHBondContact O-CG 3.46Å; V159-M162 PolarHBondContact O-N 3.12Å; T160-M162 VanDerWaalsContact C-N 3.31Å; T160-M162 PolarHBondContact O-N 3.26Å; M162-L165 HydrophobicContact CE-CD2 4.25Å; M162-L165 HydrophobicContact SD-CD2 4.19Å; M162-M166 WeakPolarHBondContact O-CB 3.49Å; M162-M166 PolarHBondContact O-N 3.19Å
163C95.9Very high94.8Very high51 Ų5159.4 Ų59.435%0.34532%0.316SS..Hα-helixtrans-67.2-43.8173-71.50000111.6V159 T160 M166 E167V159-C163 PolarHBondContact O-N 2.96Å; V159-C163 PolarHBondContact O-SG 3.27Å; T160-C163 WeakPolarHBondContact O-CB 3.39Å; T160-C163 PolarHBondContact O-N 3.07Å; T160-C163 VanDerWaalsContact O-N 3.09Å; C163-M166 PolarHBondContact O-N 3.47Å; C163-E167 PolarHBondContact O-N 2.72Å
164L96.4Very high94.6Very high95 Ų9557.4 Ų57.450%0.49731%0.306SS..Hα-helixtrans-63.1-41.5174.9-67.7171.3000111.8T160 D161 M166 E167 E168T160-L164 HydrophobicContact CG2-CD1 4.32Å; T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 3.4Å; D161-L164 PolarHBondContact O-N 3.47Å; L164-M166 VanDerWaalsContact C-N 3.33Å; L164-M166 PolarHBondContact O-N 3.13Å; L164-E167 PolarHBondContact O-N 3.35Å; L164-E168 PolarHBondContact O-N 3.32Å
165L95.6Very high94.4Very high96 Ų9659 Ų5950%0.50330%0.3SS..Hα-helixtrans-62.9-38.4175.1-179.161.4000112.2D161 M162 T169D161-L165 VanDerWaalsContact O-CB 3.31Å; D161-L165 WeakPolarHBondContact O-CB 3.31Å; D161-L165 PolarHBondContact O-N 3.16Å; M162-L165 HydrophobicContact CE-CD2 4.25Å; M162-L165 HydrophobicContact SD-CD2 4.19Å; L165-T169 WeakPolarHBondContact O-CB 3.43Å; L165-T169 PolarHBondContact O-N 3.17Å; L165-T169 PolarHBondContact O-OG1 3.2Å
166M93.6Very high94.2Very high49 Ų4962.7 Ų62.724%0.24131%0.31CS..Hα-helixtrans-65.5-41.9173-177.2-175.567.400111.6Y120 I127 M162 C163 L164 T169 E170Y120-M166 HydrophobicContact CE2-SD 4.37Å; I127-M166 HydrophobicContact CD1-CB 3.88Å; I127-M166 HydrophobicContact CD1-CE 3.87Å; I127-M166 HydrophobicContact CD1-CG 4.3Å; I127-M166 HydrophobicContact CD1-SD 3.56Å; I127-M166 VanDerWaalsContact CD1-SD 3.56Å; M162-M166 WeakPolarHBondContact O-CB 3.49Å; M162-M166 PolarHBondContact O-N 3.19Å; C163-M166 PolarHBondContact O-N 3.47Å; L164-M166 VanDerWaalsContact C-N 3.33Å; L164-M166 PolarHBondContact O-N 3.13Å; M166-T169 WeakPolarHBondContact O-CB 3.32Å; M166-T169 PolarHBondContact O-N 3.34Å; M166-E170 PolarHBondContact O-N 3.33Å
167E94.5Very high93.9Very high79 Ų7959 Ų5937%0.36929%0.292SS..Hα-helixtrans-62.5-43.4177.4-165-165.6130.600112C163 L164 T169 E170 K171C163-E167 PolarHBondContact O-N 2.72Å; L164-E167 PolarHBondContact O-N 3.35Å; E167-T169 VanDerWaalsContact C-N 3.33Å; E167-E170 PolarHBondContact O-N 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.41Å; E167-K171 PolarHBondContact O-N 2.94Å; E167-K171 WeakPolarHBondContact OE1-CE 3.33Å; E167-K171 IonicContact OE1-NZ 2.84Å; E167-K171 PolarHBondContact OE1-NZ 3.2Å
168E94.6Very high93.5Very high79 Ų7958 Ų5837%0.36929%0.29SS..Hα-helixtrans-70.6-29.8176.1-165.354.4-13600112.4L164 K171 Q172 R175L164-E168 PolarHBondContact O-N 3.32Å; E168-K171 PolarHBondContact O-N 3.07Å; E168-K171 WeakPolarHBondContact OE2-CD 3.37Å; E168-K171 IonicContact OE2-NZ 2.76Å; E168-Q172 VanDerWaalsContact O-CB 3.28Å; E168-Q172 WeakPolarHBondContact O-CB 3.19Å; E168-Q172 PolarHBondContact O-N 2.61Å; E168-R175 IonicContact OE1-CZ 3.07Å; E168-R175 IonicContact OE1-NH1 3.56Å; E168-R175 PolarHBondContact OE1-NH1 3.38Å; E168-R175 IonicContact OE1-NH2 2.65Å; E168-R175 PolarHBondContact OE1-NH2 2.85Å; E168-R175 IonicContact OE2-NH2 2.66Å
169T91.6Very high93.4Very high33 Ų3359.7 Ų59.720%0.20230%0.303CS..Hα-helixtrans-64.8-41.9171.4-59.40000111.5E119 L165 M166 E167 Q172 A173E119-T169 HydrophobicContact CG-CG2 4.12Å; L165-T169 WeakPolarHBondContact O-CB 3.43Å; L165-T169 PolarHBondContact O-N 3.17Å; L165-T169 PolarHBondContact O-OG1 3.2Å; M166-T169 WeakPolarHBondContact O-CB 3.32Å; M166-T169 PolarHBondContact O-N 3.34Å; E167-T169 VanDerWaalsContact C-N 3.33Å; T169-Q172 CarbonylContact O-C 3.59Å; T169-Q172 PolarHBondContact O-N 2.69Å; T169-A173 PolarHBondContact O-N 3.34Å
170E91.1Very high93.1Very high12 Ų1260.5 Ų60.56%0.05631%0.305CS..Hα-helixtrans-63.8-47.3173.1-71.8-59.4108.600111.4N6 H116 Y120 M166 E167 Q172 A173 V174N6-E170 PolarHBondContact ND2-OE2 3.4Å; H116-E170 IonicContact CD2-OE1 3.5Å; H116-E170 PolarHBondContact CD2-OE1 3.04Å; H116-E170 IonicContact CE1-OE1 3.55Å; H116-E170 IonicContact CE1-OE2 3.19Å; H116-E170 VanDerWaalsContact NE2-CD 3.27Å; H116-E170 IonicContact NE2-OE1 2.7Å; H116-E170 PolarHBondContact NE2-OE1 3.29Å; H116-E170 IonicContact NE2-OE2 2.73Å; H116-E170 PolarHBondContact NE2-OE2 2.96Å; Y120-E170 WeakPolarHBondContact CD2-OE1 3.45Å; M166-E170 PolarHBondContact O-N 3.33Å; E167-E170 PolarHBondContact O-N 3.31Å; E170-Q172 VanDerWaalsContact C-N 3.25Å; E170-Q172 PolarHBondContact O-N 3.05Å; E170-A173 WeakPolarHBondContact O-CA 3.49Å; E170-A173 VanDerWaalsContact O-CB 3.3Å; E170-A173 WeakPolarHBondContact O-CB 3.4Å; E170-A173 PolarHBondContact O-N 3.39Å; E170-V174 PolarHBondContact O-N 2.92Å
171K91.8Very high92.8Very high62 Ų6259.8 Ų59.827%0.2730%0.296SS..Hα-helixtrans-56.6-41.3174.8-69.4165-173.3162.90111.4E167 E168 A173 V174 R175E167-K171 WeakPolarHBondContact O-CG 3.41Å; E167-K171 PolarHBondContact O-N 2.94Å; E167-K171 WeakPolarHBondContact OE1-CE 3.33Å; E167-K171 IonicContact OE1-NZ 2.84Å; E167-K171 PolarHBondContact OE1-NZ 3.2Å; E168-K171 PolarHBondContact O-N 3.07Å; E168-K171 WeakPolarHBondContact OE2-CD 3.37Å; E168-K171 IonicContact OE2-NZ 2.76Å; K171-A173 VanDerWaalsContact C-N 3.31Å; K171-A173 PolarHBondContact O-N 3.16Å; K171-V174 PolarHBondContact O-N 2.93Å; K171-R175 WeakPolarHBondContact O-CG 3.41Å; K171-R175 PolarHBondContact O-N 2.99Å
172Q92.8Very high92.7Very high90 Ų9064.7 Ų64.742%0.42131%0.309SS..Hα-helixtrans-74.8-16.7177.6-167.560900113.7E168 T169 E170 R176E168-Q172 VanDerWaalsContact O-CB 3.28Å; E168-Q172 WeakPolarHBondContact O-CB 3.19Å; E168-Q172 PolarHBondContact O-N 2.61Å; T169-Q172 CarbonylContact O-C 3.59Å; T169-Q172 PolarHBondContact O-N 2.69Å; E170-Q172 VanDerWaalsContact C-N 3.25Å; E170-Q172 PolarHBondContact O-N 3.05Å; Q172-R176 WeakPolarHBondContact O-CG 3.45Å; Q172-R176 PolarHBondContact O-NE 3.07Å
173A89.1Confident92.7Very high0 Ų065 Ų650%032%0.318CS..Hα-helixtrans-73.3-49.9166.700000110.6Y10 H116 T169 E170 K171 R175 R176 A177Y10-A173 WeakPolarHBondContact OH-CB 3.43Å; Y10-A173 PolarHBondContact OH-O 2.97Å; Y10-A173 VanDerWaalsContact OH-O 3.05Å; H116-A173 VanDerWaalsContact CD2-CB 3.47Å; H116-A173 WeakPolarHBondContact CD2-CB 3.41Å; T169-A173 PolarHBondContact O-N 3.34Å; E170-A173 WeakPolarHBondContact O-CA 3.49Å; E170-A173 VanDerWaalsContact O-CB 3.3Å; E170-A173 WeakPolarHBondContact O-CB 3.4Å; E170-A173 PolarHBondContact O-N 3.39Å; K171-A173 VanDerWaalsContact C-N 3.31Å; K171-A173 PolarHBondContact O-N 3.16Å; A173-R175 PolarHBondContact O-N 3.16Å; A173-R176 WeakPolarHBondContact O-CB 3.36Å; A173-R176 PolarHBondContact O-N 3.47Å; A173-R176 VanDerWaalsContact O-N 3.11Å; A173-A177 PolarHBondContact O-N 3.42Å
174V89.7Confident92.6Very high28 Ų2862.8 Ų62.817%0.1730%0.302CS..Hα-helixtrans-58.7-47.9176.51790000111.7N6 E170 K171 R176 A177 L178N6-V174 HydrophobicContact CB-CG2 4.45Å; N6-V174 WeakPolarHBondContact OD1-CG2 3.49Å; E170-V174 PolarHBondContact O-N 2.92Å; K171-V174 PolarHBondContact O-N 2.93Å; V174-R176 PolarHBondContact O-N 3.23Å; V174-A177 WeakPolarHBondContact O-CB 3.45Å; V174-A177 PolarHBondContact O-N 3.36Å; V174-L178 HydrophobicContact CG1-CD1 3.8Å; V174-L178 HydrophobicContact CG1-CG 4.22Å; V174-L178 PolarHBondContact O-N 3.04Å
175R92.2Very high92.6Very high111 Ų11163.3 Ų63.342%0.41930%0.301SS..Hα-helixtrans-56.7-34.9176.8-70.3-177.6-153.1114-1112.6E168 K171 A173 V179E168-R175 IonicContact OE1-CZ 3.07Å; E168-R175 IonicContact OE1-NH1 3.56Å; E168-R175 PolarHBondContact OE1-NH1 3.38Å; E168-R175 IonicContact OE1-NH2 2.65Å; E168-R175 PolarHBondContact OE1-NH2 2.85Å; E168-R175 IonicContact OE2-NH2 2.66Å; K171-R175 WeakPolarHBondContact O-CG 3.41Å; K171-R175 PolarHBondContact O-N 2.99Å; A173-R175 PolarHBondContact O-N 3.16Å; R175-V179 WeakPolarHBondContact O-CB 3.45Å; R175-V179 WeakPolarHBondContact O-CG2 3.42Å; R175-V179 PolarHBondContact O-N 2.94Å
176R90.9Very high92.7Very high96 Ų9661.6 Ų61.636%0.36230%0.296SS..Hα-helixtrans-72.8-38.3175.2-75.5179.7-71.1160.1-1112.4L112 Q172 A173 V174 E180L112-R176 HydrophobicContact CD2-CB 4.22Å; Q172-R176 WeakPolarHBondContact O-CG 3.45Å; Q172-R176 PolarHBondContact O-NE 3.07Å; A173-R176 WeakPolarHBondContact O-CB 3.36Å; A173-R176 PolarHBondContact O-N 3.47Å; A173-R176 VanDerWaalsContact O-N 3.11Å; V174-R176 PolarHBondContact O-N 3.23Å; R176-E180 WeakPolarHBondContact O-CB 3.5Å; R176-E180 PolarHBondContact O-N 2.89Å
177A89.1Confident92.9Very high2 Ų261.6 Ų61.62%0.01730%0.299CS..Hα-helixtrans-62-51.8176.300000111.8Y10 A173 V174 V179 E180 E181Y10-A177 HydrophobicContact CD1-CB 4.03Å; Y10-A177 HydrophobicContact CE1-CB 3.56Å; A173-A177 PolarHBondContact O-N 3.42Å; V174-A177 WeakPolarHBondContact O-CB 3.45Å; V174-A177 PolarHBondContact O-N 3.36Å; A177-V179 VanDerWaalsContact C-N 3.33Å; A177-V179 PolarHBondContact O-N 2.9Å; A177-E180 PolarHBondContact O-N 3.33Å; A177-E181 PolarHBondContact O-N 3.41Å
178L89.8Confident93.1Very high80 Ų8059.2 Ų59.242%0.41929%0.287SS..Hα-helixtrans-65.7-33.2-178.8-63.3173.9000112.9V174 R182V174-L178 HydrophobicContact CG1-CD1 3.8Å; V174-L178 HydrophobicContact CG1-CG 4.22Å; V174-L178 PolarHBondContact O-N 3.04Å; L178-R182 VanDerWaalsContact O-CB 3.3Å; L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 PolarHBondContact O-N 3.07Å
179V93.9Very high93.3Very high105 Ų10560 Ų6064%0.63629%0.293SS*.Hα-helixtrans-71-39.2174.8167.60000111.8R175 A177 G183R175-V179 WeakPolarHBondContact O-CB 3.45Å; R175-V179 WeakPolarHBondContact O-CG2 3.42Å; R175-V179 PolarHBondContact O-N 2.94Å; A177-V179 VanDerWaalsContact C-N 3.33Å; A177-V179 PolarHBondContact O-N 2.9Å; V179-G183 PolarHBondContact O-N 2.94Å
180E92.4Very high93.6Very high40 Ų4060.3 Ų60.319%0.18730%0.302CS..Hα-helixtrans-64-47.4173.1170.363.7-16400110.9T108 L112 R176 A177 G183 R184T108-E180 HydrophobicContact CG2-CG 4.36Å; L112-E180 HydrophobicContact CD1-CB 4.02Å; L112-E180 HydrophobicContact CD1-CG 3.98Å; R176-E180 WeakPolarHBondContact O-CB 3.5Å; R176-E180 PolarHBondContact O-N 2.89Å; A177-E180 PolarHBondContact O-N 3.33Å; E180-G183 WeakPolarHBondContact O-CA 3.17Å; E180-G183 PolarHBondContact O-N 2.66Å; E180-G183 VanDerWaalsContact O-N 3.13Å; E180-R184 WeakPolarHBondContact O-CG 3.28Å; E180-R184 PolarHBondContact O-N 3.49Å; E180-R184 IonicContact OE1-CZ 2.66Å; E180-R184 IonicContact OE1-NE 3.57Å; E180-R184 PolarHBondContact OE1-NE 3.13Å; E180-R184 VanDerWaalsContact OE1-NE 3.07Å; E180-R184 IonicContact OE1-NH2 2.67Å; E180-R184 PolarHBondContact OE1-NH2 3.42Å
181E90.5Very high93.9Very high53 Ų5361.5 Ų61.525%0.24831%0.308CS..Hα-helixtrans-55.5-55.2175.9-177.3176-134.400111.8C12 A177 G183 R184 F185C12-E181 PolarHBondContact SG-OE1 2.93Å; A177-E181 PolarHBondContact O-N 3.41Å; E181-G183 PolarHBondContact O-N 2.67Å; E181-R184 WeakPolarHBondContact O-CB 3.47Å; E181-R184 PolarHBondContact O-N 3.49Å; E181-F185 HydrophobicContact CG-CE2 4.15Å; E181-F185 WeakPolarHBondContact O-CD2 3.15Å
182R94.8Very high94.2Very high178 Ų17861 Ų6167%0.67231%0.308SS*.Hα-helixtrans-59.5-35.9176.2-172.7-175.7175.9-73-3.7111.8L178 R184 F185 C186L178-R182 VanDerWaalsContact O-CB 3.3Å; L178-R182 WeakPolarHBondContact O-CB 3.35Å; L178-R182 PolarHBondContact O-N 3.07Å; R182-R184 VanDerWaalsContact C-N 3.33Å; R182-R184 PolarHBondContact O-N 3.28Å; R182-F185 PolarHBondContact O-N 2.98Å; R182-C186 PolarHBondContact NH1-SG 3.45Å; R182-C186 VanDerWaalsContact NH1-SG 3.38Å; R182-C186 PolarHBondContact O-N 3.05Å; R182-C186 PolarHBondContact O-SG 2.98Å
183G95.8Very high94.5Very high26 Ų2662.4 Ų62.427%0.26831%0.314SS..Hα-helixtrans-61.2-37.8177.700000113.3V179 E180 E181 C186 T187V179-G183 PolarHBondContact O-N 2.94Å; E180-G183 WeakPolarHBondContact O-CA 3.17Å; E180-G183 PolarHBondContact O-N 2.66Å; E180-G183 VanDerWaalsContact O-N 3.13Å; E181-G183 PolarHBondContact O-N 2.67Å; G183-C186 PolarHBondContact O-N 3.12Å; G183-T187 WeakPolarHBondContact O-CB 3.45Å; G183-T187 PolarHBondContact O-N 3.15Å; G183-T187 PolarHBondContact O-OG1 2.95Å
184R95.1Very high94.8Very high4 Ų464.8 Ų64.82%0.01533%0.329CS..Hα-helixtrans-61.6-51.9175.6-64163.7179.6-146.3-7.9111.5C13 Y17 W105 E180 E181 R182 C186 T187 F188C13-R184 PolarHBondContact O-NH1 3.34Å; Y17-R184 PolarHBondContact OH-NH1 3.35Å; Y17-R184 PolarHBondContact OH-NH2 3.41Å; Y17-R184 VanDerWaalsContact OH-NH2 3.16Å; W105-R184 HydrophobicContact CD2-CB 4.32Å; W105-R184 HydrophobicContact CD2-CG 3.75Å; W105-R184 HydrophobicContact CE3-CG 4.26Å; W105-R184 HydrophobicContact CG-CG 3.95Å; W105-R184 HydrophobicContact CH2-CB 4.15Å; W105-R184 HydrophobicContact CZ2-CB 3.94Å; W105-R184 HydrophobicContact CZ2-CG 4.13Å; W105-R184 HydrophobicContact CZ3-CB 4.42Å; W105-R184 PolarHBondContact O-NH2 3.44Å; E180-R184 WeakPolarHBondContact O-CG 3.28Å; E180-R184 PolarHBondContact O-N 3.49Å; E180-R184 IonicContact OE1-CZ 2.66Å; E180-R184 IonicContact OE1-NE 3.57Å; E180-R184 PolarHBondContact OE1-NE 3.13Å; E180-R184 VanDerWaalsContact OE1-NE 3.07Å; E180-R184 IonicContact OE1-NH2 2.67Å; E180-R184 PolarHBondContact OE1-NH2 3.42Å; E181-R184 WeakPolarHBondContact O-CB 3.47Å; E181-R184 PolarHBondContact O-N 3.49Å; R182-R184 VanDerWaalsContact C-N 3.33Å; R182-R184 PolarHBondContact O-N 3.28Å; R184-C186 PolarHBondContact O-N 2.94Å; R184-T187 WeakPolarHBondContact O-CB 3.44Å; R184-T187 PolarHBondContact O-N 2.69Å; R184-F188 PolarHBondContact O-N 2.64Å
185F96.4Very high95.2Very high107 Ų10763.8 Ų63.847%0.46932%0.323SS..Hα-helixtrans-62.2-41.7177.2-68.4-73.3000112.4W20 E181 R182 T187 F188 I189W20-F185 AromaticContact CH2-CD1 3.76Å; W20-F185 HydrophobicContact CH2-CD1 3.76Å; W20-F185 AromaticContact CH2-CE1 3.77Å; W20-F185 HydrophobicContact CH2-CE1 3.77Å; W20-F185 AromaticContact CZ2-CD1 3.87Å; W20-F185 HydrophobicContact CZ2-CD1 3.87Å; W20-F185 AromaticContact CZ2-CE1 3.58Å; W20-F185 HydrophobicContact CZ2-CE1 3.58Å; W20-F185 HydrophobicContact CZ2-CZ 4.08Å; E181-F185 HydrophobicContact CG-CE2 4.15Å; E181-F185 WeakPolarHBondContact O-CD2 3.15Å; R182-F185 PolarHBondContact O-N 2.98Å; F185-T187 VanDerWaalsContact C-N 3.31Å; F185-T187 PolarHBondContact O-N 2.8Å; F185-F188 PolarHBondContact O-N 3.02Å; F185-I189 WeakPolarHBondContact O-CG1 3.34Å; F185-I189 PolarHBondContact O-N 3.48Å
186C97.8Very high95.5Very high60 Ų6061 Ų6141%0.40532%0.319SS..Hα-helixtrans-62-38.9175.2-65.90000112.3R182 G183 R184 I189 G190R182-C186 PolarHBondContact NH1-SG 3.45Å; R182-C186 VanDerWaalsContact NH1-SG 3.38Å; R182-C186 PolarHBondContact O-N 3.05Å; R182-C186 PolarHBondContact O-SG 2.98Å; G183-C186 PolarHBondContact O-N 3.12Å; R184-C186 PolarHBondContact O-N 2.94Å; C186-I189 PolarHBondContact O-N 3.42Å; C186-G190 PolarHBondContact O-N 3.07Å; C186-G190 VanDerWaalsContact O-N 3.16Å
187T97.7Very high95.7Very high49 Ų4960.7 Ų60.730%0.30132%0.324SS..Hα-helixtrans-65.7-45176.1-55.60000111.1W105 G183 R184 F185 I189 G190 F191W105-T187 HydrophobicContact CZ2-CG2 4.17Å; G183-T187 WeakPolarHBondContact O-CB 3.45Å; G183-T187 PolarHBondContact O-N 3.15Å; G183-T187 PolarHBondContact O-OG1 2.95Å; R184-T187 WeakPolarHBondContact O-CB 3.44Å; R184-T187 PolarHBondContact O-N 2.69Å; F185-T187 VanDerWaalsContact C-N 3.31Å; F185-T187 PolarHBondContact O-N 2.8Å; T187-I189 PolarHBondContact O-N 3.06Å; T187-G190 PolarHBondContact O-N 3.36Å; T187-G190 VanDerWaalsContact O-N 3.15Å; T187-F191 HydrophobicContact CG2-CD2 4.46Å; T187-F191 HydrophobicContact CG2-CE1 4.18Å; T187-F191 HydrophobicContact CG2-CE2 3.83Å; T187-F191 HydrophobicContact CG2-CZ 3.68Å; T187-F191 WeakPolarHBondContact O-CG 3.48Å; T187-F191 PolarHBondContact O-N 3.05Å; T187-F191 VanDerWaalsContact O-N 3.09Å
188F98Very high96.1Very high28 Ų2861.5 Ų61.512%0.12333%0.333CS..Hα-helixtrans-59.4-42.3175.8168.5-101.1000112.9W20 F23 L94 L98 R184 F185 G190 F191 L192W20-F188 HydrophobicContact CE3-CD2 4.46Å; W20-F188 HydrophobicContact CH2-CB 4.03Å; W20-F188 HydrophobicContact CH2-CD1 4.3Å; W20-F188 HydrophobicContact CH2-CD2 4.38Å; W20-F188 AromaticContact CH2-CG 3.97Å; W20-F188 HydrophobicContact CH2-CG 3.97Å; W20-F188 HydrophobicContact CZ3-CB 4.04Å; W20-F188 HydrophobicContact CZ3-CD1 4.2Å; W20-F188 AromaticContact CZ3-CD2 3.62Å; W20-F188 HydrophobicContact CZ3-CD2 3.62Å; W20-F188 HydrophobicContact CZ3-CE2 4.08Å; W20-F188 AromaticContact CZ3-CG 3.67Å; W20-F188 HydrophobicContact CZ3-CG 3.67Å; F23-F188 HydrophobicContact CD1-CE2 4.28Å; F23-F188 AromaticContact CE1-CE2 3.64Å; F23-F188 HydrophobicContact CE1-CE2 3.64Å; F23-F188 HydrophobicContact CE1-CZ 4.26Å; F23-F188 HydrophobicContact CE2-CE2 4.45Å; F23-F188 HydrophobicContact CE2-CZ 4.29Å; F23-F188 AromaticContact CZ-CE2 3.73Å; F23-F188 HydrophobicContact CZ-CE2 3.73Å; F23-F188 AromaticContact CZ-CZ 3.89Å; F23-F188 HydrophobicContact CZ-CZ 3.89Å; L94-F188 HydrophobicContact CD1-CD2 4.09Å; L94-F188 HydrophobicContact CD1-CE2 3.9Å; L98-F188 HydrophobicContact CD1-CD2 4.45Å; L98-F188 HydrophobicContact CD2-CD2 4.28Å; L98-F188 HydrophobicContact CD2-CE2 4.42Å; R184-F188 PolarHBondContact O-N 2.64Å; F185-F188 PolarHBondContact O-N 3.02Å; F188-G190 VanDerWaalsContact C-N 3.32Å; F188-G190 PolarHBondContact O-N 3.42Å; F188-F191 WeakPolarHBondContact O-CB 3.44Å; F188-F191 PolarHBondContact O-N 2.85Å; F188-F191 VanDerWaalsContact O-N 3.16Å; F188-L192 HydrophobicContact CE1-CD2 4.14Å; F188-L192 HydrophobicContact CZ-CD2 4.27Å; F188-L192 WeakPolarHBondContact O-CB 3.48Å; F188-L192 PolarHBondContact O-N 2.75Å
189I98.1Very high96.4Very high96 Ų9661.7 Ų61.749%0.49233%0.332SS..Hα-helixtrans-64-37.6175.4-66.2-61.9000111.4F185 C186 T187 F191 L192 Q193F185-I189 WeakPolarHBondContact O-CG1 3.34Å; F185-I189 PolarHBondContact O-N 3.48Å; C186-I189 PolarHBondContact O-N 3.42Å; T187-I189 PolarHBondContact O-N 3.06Å; I189-F191 VanDerWaalsContact C-N 3.28Å; I189-F191 PolarHBondContact O-N 3.39Å; I189-L192 HydrophobicContact CD1-CD2 4.34Å; I189-L192 PolarHBondContact O-N 3.05Å; I189-Q193 WeakPolarHBondContact O-CB 3.43Å; I189-Q193 PolarHBondContact O-N 3.22Å
190G98.3Very high96.5Very high39 Ų3961.7 Ų61.740%0.40233%0.327SS..Hα-helixtrans-62-32.9172.900000113.8C186 T187 F188 P194C186-G190 PolarHBondContact O-N 3.07Å; C186-G190 VanDerWaalsContact O-N 3.16Å; T187-G190 PolarHBondContact O-N 3.36Å; T187-G190 VanDerWaalsContact O-N 3.15Å; F188-G190 VanDerWaalsContact C-N 3.32Å; F188-G190 PolarHBondContact O-N 3.42Å; G190-P194 VanDerWaalsContact O-CD 3.28Å; G190-P194 WeakPolarHBondContact O-CD 3.33Å
191F98.3Very high96.6Very high38 Ų3862 Ų6217%0.16734%0.336CS..Hα-helixtrans-75-34.7172.8-65.1-19.2000113.2S93 L94 P97 L98 K101 T187 F188 I189 P194S93-F191 WeakPolarHBondContact O-CA 3.22Å; S93-F191 VanDerWaalsContact O-CB 3.29Å; S93-F191 WeakPolarHBondContact O-CB 3.23Å; L94-F191 HydrophobicContact CD1-CB 3.62Å; P97-F191 HydrophobicContact CB-CD1 4.04Å; P97-F191 HydrophobicContact CB-CD2 4.16Å; P97-F191 HydrophobicContact CB-CE1 3.66Å; P97-F191 HydrophobicContact CB-CE2 3.78Å; P97-F191 HydrophobicContact CB-CG 4.29Å; P97-F191 HydrophobicContact CB-CZ 3.5Å; P97-F191 WeakPolarHBondContact O-CE2 3.26Å; L98-F191 HydrophobicContact CB-CD2 4.31Å; K101-F191 HydrophobicContact CB-CE2 4.34Å; K101-F191 HydrophobicContact CG-CE2 3.88Å; K101-F191 HydrophobicContact CG-CZ 3.78Å; T187-F191 HydrophobicContact CG2-CD2 4.46Å; T187-F191 HydrophobicContact CG2-CE1 4.18Å; T187-F191 HydrophobicContact CG2-CE2 3.83Å; T187-F191 HydrophobicContact CG2-CZ 3.68Å; T187-F191 WeakPolarHBondContact O-CG 3.48Å; T187-F191 PolarHBondContact O-N 3.05Å; T187-F191 VanDerWaalsContact O-N 3.09Å; F188-F191 WeakPolarHBondContact O-CB 3.44Å; F188-F191 PolarHBondContact O-N 2.85Å; F188-F191 VanDerWaalsContact O-N 3.16Å; I189-F191 VanDerWaalsContact C-N 3.28Å; I189-F191 PolarHBondContact O-N 3.39Å; F191-P194 WeakPolarHBondContact O-CD 3.44Å; F191-P194 WeakPolarHBondContact O-CG 3.49Å
192L98.1Very high96.8Very high52 Ų5260.8 Ų60.827%0.27233%0.33SS..Hα-helixtrans-75.9-34.3-179.8-177.561.2000112.9L94 F188 I189 V195 V196L94-L192 HydrophobicContact CD2-CD1 3.88Å; F188-L192 HydrophobicContact CE1-CD2 4.14Å; F188-L192 HydrophobicContact CZ-CD2 4.27Å; F188-L192 WeakPolarHBondContact O-CB 3.48Å; F188-L192 PolarHBondContact O-N 2.75Å; I189-L192 HydrophobicContact CD1-CD2 4.34Å; I189-L192 PolarHBondContact O-N 3.05Å; L192-V195 WeakPolarHBondContact O-CB 3.4Å; L192-V195 PolarHBondContact O-N 2.83Å; L192-V196 HydrophobicContact CD1-CG2 4.08Å; L192-V196 HydrophobicContact CG-CG2 3.96Å; L192-V196 PolarHBondContact O-N 3.29Å
193Q97.7Very high96.7Very high118 Ų11856.9 Ų56.955%0.55132%0.322SS*.Hα-helixtrans-50.2-50.4-178.4-175.5177.5100114.9I189 V195 V196 N197I189-Q193 WeakPolarHBondContact O-CB 3.43Å; I189-Q193 PolarHBondContact O-N 3.22Å; Q193-V195 VanDerWaalsContact C-N 3.27Å; Q193-V195 PolarHBondContact O-N 3.5Å; Q193-V196 PolarHBondContact O-N 2.87Å; Q193-N197 WeakPolarHBondContact O-CB 3.44Å; Q193-N197 PolarHBondContact O-N 3.23Å; Q193-N197 PolarHBondContact O-ND2 3.46Å
194P96.7Very high96.6Very high50 Ų5057.4 Ų57.433%0.32533%0.328SS..Hα-helixtrans-64.5-28.4177.324.5-35000113.7S93 G190 F191 G198S93-P194 VanDerWaalsContact CB-CG 3.5Å; G190-P194 VanDerWaalsContact O-CD 3.28Å; G190-P194 WeakPolarHBondContact O-CD 3.33Å; F191-P194 WeakPolarHBondContact O-CD 3.44Å; F191-P194 WeakPolarHBondContact O-CG 3.49Å; P194-G198 PolarHBondContact O-N 2.85Å; P194-G198 VanDerWaalsContact O-N 3.17Å
195V98.1Very high96.4Very high7 Ų758.5 Ų58.54%0.04233%0.334CS..Hα-helixtrans-69.7-49.5176.7-174.30000110.1F86 L90 L94 L192 Q193 N197 G198 E199F86-V195 HydrophobicContact CD2-CG1 4.04Å; F86-V195 WeakPolarHBondContact CD2-O 3.47Å; F86-V195 HydrophobicContact CE2-CG1 3.57Å; F86-V195 HydrophobicContact CZ-CG1 4.32Å; L90-V195 HydrophobicContact CB-CG1 4.19Å; L90-V195 HydrophobicContact CD1-CG1 4.23Å; L94-V195 HydrophobicContact CB-CG2 3.82Å; L94-V195 HydrophobicContact CD2-CG2 4.27Å; L192-V195 WeakPolarHBondContact O-CB 3.4Å; L192-V195 PolarHBondContact O-N 2.83Å; Q193-V195 VanDerWaalsContact C-N 3.27Å; Q193-V195 PolarHBondContact O-N 3.5Å; V195-N197 VanDerWaalsContact C-N 3.33Å; V195-N197 PolarHBondContact O-N 3.4Å; V195-G198 WeakPolarHBondContact O-CA 3.46Å; V195-G198 PolarHBondContact O-N 2.91Å; V195-G198 VanDerWaalsContact O-N 3.08Å; V195-E199 PolarHBondContact O-N 3.31Å
196V97.8Very high96.2Very high54 Ų5457.1 Ų57.133%0.32733%0.33SS..Hα-helixtrans-63.1-38.5177.4175.40000111.6L192 Q193 G198 E199 I200L192-V196 HydrophobicContact CD1-CG2 4.08Å; L192-V196 HydrophobicContact CG-CG2 3.96Å; L192-V196 PolarHBondContact O-N 3.29Å; Q193-V196 PolarHBondContact O-N 2.87Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.45Å; V196-E199 WeakPolarHBondContact O-CB 3.37Å; V196-E199 PolarHBondContact O-N 2.9Å; V196-I200 HydrophobicContact CG1-CD1 3.92Å; V196-I200 HydrophobicContact CG1-CG1 4.44Å; V196-I200 WeakPolarHBondContact O-CG1 3.49Å; V196-I200 PolarHBondContact O-N 3.21Å
197N96.5Very high95.9Very high89 Ų8958.8 Ų58.848%0.47634%0.338SS..Hα-helixtrans-60.6-38173.3-71.9-12.5000112.2Q193 V195 A201Q193-N197 WeakPolarHBondContact O-CB 3.44Å; Q193-N197 PolarHBondContact O-N 3.23Å; Q193-N197 PolarHBondContact O-ND2 3.46Å; V195-N197 VanDerWaalsContact C-N 3.33Å; V195-N197 PolarHBondContact O-N 3.4Å; N197-A201 VanDerWaalsContact O-CB 3.3Å; N197-A201 WeakPolarHBondContact O-CB 3.44Å; N197-A201 PolarHBondContact O-N 2.97Å
198G95.8Very high95.7Very high18 Ų1860.3 Ų60.319%0.18634%0.342CS..Hα-helixtrans-66.5-37.4174.400000113.2P194 V195 V196 A201 M202P194-G198 PolarHBondContact O-N 2.85Å; P194-G198 VanDerWaalsContact O-N 3.17Å; V195-G198 WeakPolarHBondContact O-CA 3.46Å; V195-G198 PolarHBondContact O-N 2.91Å; V195-G198 VanDerWaalsContact O-N 3.08Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.45Å; G198-A201 PolarHBondContact O-N 2.74Å; G198-M202 PolarHBondContact O-N 3.23Å
199E95.9Very high95.6Very high85 Ų8560.4 Ų60.440%0.39734%0.344SS..Hα-helixtrans-65.8-48.2175.5-169.9168.7-156.500111.7F86 V195 V196 A201 M202 L203F86-E199 HydrophobicContact CD2-CB 3.94Å; F86-E199 HydrophobicContact CE2-CB 3.77Å; F86-E199 HydrophobicContact CE2-CG 4.3Å; V195-E199 PolarHBondContact O-N 3.31Å; V196-E199 WeakPolarHBondContact O-CB 3.37Å; V196-E199 PolarHBondContact O-N 2.9Å; E199-A201 VanDerWaalsContact C-N 3.3Å; E199-A201 PolarHBondContact O-N 3.37Å; E199-M202 WeakPolarHBondContact O-CB 3.26Å; E199-M202 PolarHBondContact O-N 3.18Å; E199-L203 WeakPolarHBondContact O-CG 3.4Å; E199-L203 PolarHBondContact O-N 3.24Å
200I96.6Very high95.4Very high105 Ų10561.2 Ų61.254%0.53835%0.345SS..Hα-helixtrans-58.4-43.2174.9-65.7165.6000110.7V196 M202 L203 G204V196-I200 HydrophobicContact CG1-CD1 3.92Å; V196-I200 HydrophobicContact CG1-CG1 4.44Å; V196-I200 WeakPolarHBondContact O-CG1 3.49Å; V196-I200 PolarHBondContact O-N 3.21Å; I200-M202 PolarHBondContact O-N 2.84Å; I200-L203 PolarHBondContact O-N 3.43Å; I200-G204 PolarHBondContact O-N 3.1Å
201A94.6Very high95.3Very high45 Ų4562.1 Ų62.137%0.37235%0.349SS..Hα-helixtrans-69.1-18.3178.200000114.4K82 N197 G198 E199K82-A201 PolarHBondContact NZ-O 3.46Å; N197-A201 VanDerWaalsContact O-CB 3.3Å; N197-A201 WeakPolarHBondContact O-CB 3.44Å; N197-A201 PolarHBondContact O-N 2.97Å; G198-A201 PolarHBondContact O-N 2.74Å; E199-A201 VanDerWaalsContact C-N 3.3Å; E199-A201 PolarHBondContact O-N 3.37Å
202M95.1Very high95.2Very high28 Ų2861 Ų6114%0.13835%0.345CS..Hα-helixtrans-82.9-45.6170.4-179.7-17866.400111.2I79 K82 L83 G198 E199 I200 G204 E205I79-M202 HydrophobicContact CG2-CG 4.18Å; K82-M202 HydrophobicContact CB-CB 3.75Å; K82-M202 HydrophobicContact CB-CG 3.95Å; L83-M202 HydrophobicContact CB-SD 3.86Å; L83-M202 HydrophobicContact CD1-CE 4.47Å; L83-M202 HydrophobicContact CD1-SD 3.68Å; L83-M202 HydrophobicContact CG-SD 4.35Å; G198-M202 PolarHBondContact O-N 3.23Å; E199-M202 WeakPolarHBondContact O-CB 3.26Å; E199-M202 PolarHBondContact O-N 3.18Å; I200-M202 PolarHBondContact O-N 2.84Å; M202-G204 VanDerWaalsContact C-N 3.25Å; M202-G204 PolarHBondContact O-N 3.25Å; M202-E205 PolarHBondContact O-N 3.4Å
203L93.4Very high95.2Very high96 Ų9662.2 Ų62.250%0.50335%0.351SS..Hα-helixtrans-60.7-34.4178-67.6174.6000112.2E199 I200 E205 I206E199-L203 WeakPolarHBondContact O-CG 3.4Å; E199-L203 PolarHBondContact O-N 3.24Å; I200-L203 PolarHBondContact O-N 3.43Å; L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.43Å; L203-I206 HydrophobicContact CD2-CD1 3.84Å; L203-I206 WeakPolarHBondContact O-CB 3.21Å; L203-I206 PolarHBondContact O-N 2.98Å
204G93.6Very high95.1Very high38 Ų3860.3 Ų60.339%0.39235%0.345SS..Hα-helixtrans-57.4-38.1175.400000114.3I200 M202 I206 T207I200-G204 PolarHBondContact O-N 3.1Å; M202-G204 VanDerWaalsContact C-N 3.25Å; M202-G204 PolarHBondContact O-N 3.25Å; G204-I206 PolarHBondContact O-N 3.38Å; G204-T207 WeakPolarHBondContact O-CG2 3.44Å; G204-T207 PolarHBondContact O-N 3.19Å; G204-T207 PolarHBondContact O-OG1 3.36Å
205E90.4Very high95.1Very high27 Ų2761.2 Ų61.213%0.12635%0.346CS..Hα-helixtrans-66.5-26.1179.7-61.3-73.115100112.7S78 I79 K82 M202 L203 T207 H208S78-E205 WeakPolarHBondContact CB-OE2 3.08Å; S78-E205 PolarHBondContact OG-OE2 3.44Å; I79-E205 HydrophobicContact CG1-CB 3.63Å; K82-E205 WeakPolarHBondContact CE-OE1 3.42Å; K82-E205 HydrophobicContact CG-CG 3.83Å; K82-E205 IonicContact NZ-OE1 2.64Å; K82-E205 PolarHBondContact NZ-OE1 3.15Å; M202-E205 PolarHBondContact O-N 3.4Å; L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.43Å; E205-T207 PolarHBondContact O-N 3.06Å; E205-H208 WeakPolarHBondContact O-CB 3.28Å; E205-H208 PolarHBondContact O-N 2.9Å
206I91.3Very high95.1Very high77 Ų7761.6 Ų61.640%0.39535%0.348SS..Hα-helixtrans-63.6-30.8-178.8-56.9179.8000110.8I79 L203 G204 H208 L209I79-I206 HydrophobicContact CD1-CG1 4.14Å; L203-I206 HydrophobicContact CD2-CD1 3.84Å; L203-I206 WeakPolarHBondContact O-CB 3.21Å; L203-I206 PolarHBondContact O-N 2.98Å; G204-I206 PolarHBondContact O-N 3.38Å; I206-H208 PolarHBondContact O-N 3.48Å; I206-H208 VanDerWaalsContact O-N 3.13Å; I206-L209 HydrophobicContact CG2-CD1 4.22Å; I206-L209 WeakPolarHBondContact O-CB 3.43Å; I206-L209 WeakPolarHBondContact O-CG 3.45Å; I206-L209 PolarHBondContact O-N 3.37Å
207T93.1Very high95Very high95 Ų9562.9 Ų62.958%0.58336%0.356SS*.Hα-helixtrans-56.7-30.4177.465.50000112.8G204 E205 L209 Q210G204-T207 WeakPolarHBondContact O-CG2 3.44Å; G204-T207 PolarHBondContact O-N 3.19Å; G204-T207 PolarHBondContact O-OG1 3.36Å; E205-T207 PolarHBondContact O-N 3.06Å; T207-L209 VanDerWaalsContact C-N 3.26Å; T207-L209 PolarHBondContact O-N 2.97Å; T207-Q210 PolarHBondContact O-N 2.67Å
208H93.2Very high95Very high82 Ų8264 Ų6438%0.3837%0.366SS..Hα-helixtrans-74.3-12.2178.2-59.6-38.6000114.1R75 E205 I206 I212R75-H208 HydrophobicContact CG-CB 4.23Å; R75-H208 PolarHBondContact NH1-CD2 3.25Å; E205-H208 WeakPolarHBondContact O-CB 3.28Å; E205-H208 PolarHBondContact O-N 2.9Å; I206-H208 PolarHBondContact O-N 3.48Å; I206-H208 VanDerWaalsContact O-N 3.13Å; H208-I212 WeakPolarHBondContact O-CD1 3.25Å; H208-I212 WeakPolarHBondContact O-CG1 3.35Å
209L95Very high95Very high30 Ų3066 Ų6616%0.15737%0.373CS..Hα-helixtrans-74.7-30.2176.1-55.5-176.7000111.8M72 R75 I79 I206 T207 I212 I213M72-L209 HydrophobicContact SD-CB 4.39Å; M72-L209 HydrophobicContact SD-CD2 3.77Å; R75-L209 HydrophobicContact CB-CD2 3.52Å; R75-L209 HydrophobicContact CG-CD2 4.45Å; I79-L209 HydrophobicContact CD1-CD1 3.82Å; I79-L209 HydrophobicContact CD1-CD2 4.13Å; I79-L209 HydrophobicContact CD1-CG 4.15Å; I206-L209 HydrophobicContact CG2-CD1 4.22Å; I206-L209 WeakPolarHBondContact O-CB 3.43Å; I206-L209 WeakPolarHBondContact O-CG 3.45Å; I206-L209 PolarHBondContact O-N 3.37Å; T207-L209 VanDerWaalsContact C-N 3.26Å; T207-L209 PolarHBondContact O-N 2.97Å; L209-I212 PolarHBondContact O-N 2.96Å; L209-I212 VanDerWaalsContact O-N 3.12Å; L209-I213 PolarHBondContact O-N 3.38Å
210Q94.6Very high95Very high112 Ų11265.4 Ų65.452%0.52338%0.375SS..Hα-helixtrans-58.3-55.5-175.5-172.359.357.700111.5T207 I212 I213 D214T207-Q210 PolarHBondContact O-N 2.67Å; Q210-I212 PolarHBondContact O-N 3.17Å; Q210-I213 WeakPolarHBondContact O-CG2 3.24Å; Q210-I213 PolarHBondContact O-N 3.02Å; Q210-I213 VanDerWaalsContact O-N 3.07Å; Q210-D214 PolarHBondContact NE2-OD1 3.35Å; Q210-D214 PolarHBondContact NE2-OD2 3.27Å; Q210-D214 PolarHBondContact O-N 3.37Å; Q210-D214 VanDerWaalsContact O-OD2 3.1Å
211A95.9Very high94.9Very high59 Ų5964.8 Ų64.849%0.48838%0.376SS..Hα-helixtrans-57.4-28178.300000113.6D215A211-D215 WeakPolarHBondContact O-CB 3.36Å; A211-D215 VanDerWaalsContact O-CG 3.31Å; A211-D215 PolarHBondContact O-N 3.46Å
212I96.9Very high94.7Very high13 Ų1367.1 Ų67.17%0.06738%0.382CS..Hα-helixtrans-84.4-31.4-179.5-50.7170.2000111.5A68 R71 M72 R75 H208 L209 Q210 L216A68-I212 WeakPolarHBondContact O-CG2 3.48Å; R71-I212 HydrophobicContact CB-CD1 3.95Å; R71-I212 HydrophobicContact CB-CG1 4.42Å; R71-I212 HydrophobicContact CB-CG2 4.16Å; M72-I212 HydrophobicContact CB-CG2 3.92Å; M72-I212 HydrophobicContact CE-CB 3.81Å; M72-I212 HydrophobicContact CE-CG2 3.82Å; M72-I212 HydrophobicContact SD-CB 4.34Å; M72-I212 HydrophobicContact SD-CG2 4.31Å; R75-I212 HydrophobicContact CB-CD1 4.33Å; R75-I212 HydrophobicContact CG-CD1 3.55Å; H208-I212 WeakPolarHBondContact O-CD1 3.25Å; H208-I212 WeakPolarHBondContact O-CG1 3.35Å; L209-I212 PolarHBondContact O-N 2.96Å; L209-I212 VanDerWaalsContact O-N 3.12Å; Q210-I212 PolarHBondContact O-N 3.17Å; I212-L216 HydrophobicContact CG2-CD1 4.38Å; I212-L216 WeakPolarHBondContact O-CB 3.16Å; I212-L216 WeakPolarHBondContact O-CD1 3.43Å; I212-L216 VanDerWaalsContact O-CG 3.24Å; I212-L216 WeakPolarHBondContact O-CG 3.47Å; I212-L216 PolarHBondContact O-N 3Å
213I96.8Very high94.5Very high79 Ų7971 Ų7141%0.40541%0.409SS..Hα-helixtrans-74.1-31.6170.7-168.961.4000111.4M72 L209 Q210 L216 T217M72-I213 HydrophobicContact CE-CB 4.08Å; L209-I213 PolarHBondContact O-N 3.38Å; Q210-I213 WeakPolarHBondContact O-CG2 3.24Å; Q210-I213 PolarHBondContact O-N 3.02Å; Q210-I213 VanDerWaalsContact O-N 3.07Å; I213-L216 HydrophobicContact CD1-CB 4.4Å; I213-L216 PolarHBondContact O-N 3.35Å; I213-T217 WeakPolarHBondContact O-CB 3.37Å; I213-T217 PolarHBondContact O-N 3.22Å; I213-T217 PolarHBondContact O-OG1 3.11Å
214D96.8Very high94.6Very high78 Ų7875.7 Ų75.742%0.41743%0.428SS..Hα-helixtrans-64.4-49.3171.9-57.9-27.6000110.6Q210 L216 T217 V218Q210-D214 PolarHBondContact NE2-OD1 3.35Å; Q210-D214 PolarHBondContact NE2-OD2 3.27Å; Q210-D214 PolarHBondContact O-N 3.37Å; Q210-D214 VanDerWaalsContact O-OD2 3.1Å; D214-L216 VanDerWaalsContact C-N 3.34Å; D214-L216 PolarHBondContact O-N 3.38Å; D214-T217 PolarHBondContact O-N 2.89Å; D214-V218 PolarHBondContact O-N 3.01Å; D214-V218 VanDerWaalsContact O-N 3.17Å
215D96.4Very high94.5Very high68 Ų6880.6 Ų80.636%0.36444%0.439SS..Hα-helixtrans-50.4-50.7169.8-84.8-20.4000111.7R71 A211 T217 V218 L219R71-D215 IonicContact CZ-OD2 2.75Å; R71-D215 IonicContact NE-OD2 3.07Å; R71-D215 IonicContact NH2-OD2 3.41Å; R71-D215 PolarHBondContact NH2-OD2 3.48Å; A211-D215 WeakPolarHBondContact O-CB 3.36Å; A211-D215 VanDerWaalsContact O-CG 3.31Å; A211-D215 PolarHBondContact O-N 3.46Å; D215-T217 VanDerWaalsContact C-N 3.34Å; D215-T217 PolarHBondContact O-N 3.29Å; D215-V218 PolarHBondContact O-N 3.43Å; D215-L219 WeakPolarHBondContact O-CB 3.45Å; D215-L219 VanDerWaalsContact O-CG 3.28Å; D215-L219 WeakPolarHBondContact O-CG 3.34Å; D215-L219 PolarHBondContact O-N 3.37Å
216L96.8Very high94.5Very high16 Ų1683.5 Ų83.58%0.08445%0.454CS..Hα-helixtrans-65.6-35.4-177.8-78.1166.7000112.4I65 A68 L69 M72 I212 I213 D214 L219 T220I65-L216 HydrophobicContact CG2-CD2 4.32Å; A68-L216 HydrophobicContact CB-CD2 3.61Å; A68-L216 HydrophobicContact CB-CG 3.95Å; L69-L216 HydrophobicContact CD2-CD1 4.12Å; L69-L216 HydrophobicContact CD2-CD2 4.07Å; L69-L216 HydrophobicContact CG-CD2 4.13Å; M72-L216 HydrophobicContact CE-CD1 3.99Å; I212-L216 HydrophobicContact CG2-CD1 4.38Å; I212-L216 WeakPolarHBondContact O-CB 3.16Å; I212-L216 WeakPolarHBondContact O-CD1 3.43Å; I212-L216 VanDerWaalsContact O-CG 3.24Å; I212-L216 WeakPolarHBondContact O-CG 3.47Å; I212-L216 PolarHBondContact O-N 3Å; I213-L216 HydrophobicContact CD1-CB 4.4Å; I213-L216 PolarHBondContact O-N 3.35Å; D214-L216 VanDerWaalsContact C-N 3.34Å; D214-L216 PolarHBondContact O-N 3.38Å; L216-L219 PolarHBondContact O-N 3.46Å; L216-T220 WeakPolarHBondContact O-CB 3.34Å; L216-T220 WeakPolarHBondContact O-CG2 3.3Å; L216-T220 PolarHBondContact O-N 3.17Å; L216-T220 PolarHBondContact O-OG1 2.86Å
217T97.4Very high94.6Very high81 Ų8182.4 Ų82.450%0.49745%0.452SS..Hα-helixtrans-63.8-44.2176.7-59.10000110.6I213 D214 D215 T220 T221I213-T217 WeakPolarHBondContact O-CB 3.37Å; I213-T217 PolarHBondContact O-N 3.22Å; I213-T217 PolarHBondContact O-OG1 3.11Å; D214-T217 PolarHBondContact O-N 2.89Å; D215-T217 VanDerWaalsContact C-N 3.34Å; D215-T217 PolarHBondContact O-N 3.29Å; T217-T220 PolarHBondContact O-N 2.95Å; T217-T221 PolarHBondContact O-N 3.17Å; T217-T221 PolarHBondContact O-OG1 3.13Å
218V96.1Very high94.5Very high112 Ų11282.7 Ų82.768%0.67946%0.456SS*.Hα-helixtrans-64.1-46.2174.6177.40000110.9D214 D215 T220 T221D214-V218 PolarHBondContact O-N 3.01Å; D214-V218 VanDerWaalsContact O-N 3.17Å; D215-V218 PolarHBondContact O-N 3.43Å; V218-T220 PolarHBondContact O-N 3.38Å; V218-T221 PolarHBondContact O-N 3.46Å; V218-T221 PolarHBondContact O-OG1 3.36Å
219L95.3Very high94.4Very high61 Ų6181.2 Ų81.232%0.31946%0.458SS..Hα-helixtrans-68.3-15.5-179-70.8168.7000114.7D64 I65 A68 D215 L216D64-L219 HydrophobicContact CB-CD2 4.19Å; I65-L219 HydrophobicContact CG1-CB 3.96Å; A68-L219 HydrophobicContact CB-CD1 3.74Å; D215-L219 WeakPolarHBondContact O-CB 3.45Å; D215-L219 VanDerWaalsContact O-CG 3.28Å; D215-L219 WeakPolarHBondContact O-CG 3.34Å; D215-L219 PolarHBondContact O-N 3.37Å; L216-L219 PolarHBondContact O-N 3.46Å
220T95.3Very high94.3Very high72 Ų7280.4 Ų80.444%0.44246%0.455SS..THydrogen-bonded Turntrans-11410.7179.558.50000114.4I65 L216 T217 V218I65-T220 HydrophobicContact CD1-CG2 4.11Å; I65-T220 HydrophobicContact CG1-CG2 4.37Å; L216-T220 WeakPolarHBondContact O-CB 3.34Å; L216-T220 WeakPolarHBondContact O-CG2 3.3Å; L216-T220 PolarHBondContact O-N 3.17Å; L216-T220 PolarHBondContact O-OG1 2.86Å; T217-T220 PolarHBondContact O-N 2.95Å; V218-T220 PolarHBondContact O-N 3.38Å
221T94.4Very high94.2Very high91 Ų9179 Ų7956%0.55845%0.449SS*.SBendtrans-65.3144.1172.8-63.10000111.4T217 V218T217-T221 PolarHBondContact O-N 3.17Å; T217-T221 PolarHBondContact O-OG1 3.13Å; V218-T221 PolarHBondContact O-N 3.46Å; V218-T221 PolarHBondContact O-OG1 3.36Å
222D90Very high94Very high95 Ų9580.4 Ų80.451%0.50845%0.445SS..SBendtrans47.459.7-178.1-68.4-8.9000115H224 K225D222-H224 PolarHBondContact O-N 3.49Å; D222-K225 HydrophobicContact CB-CB 3.94Å; D222-K225 HydrophobicContact CB-CD 4.31Å; D222-K225 WeakPolarHBondContact O-CB 3.41Å; D222-K225 PolarHBondContact O-N 3.03Å
223P92.8Very high93.8Very high109 Ų10981.6 Ų81.671%0.70845%0.453SS*.THydrogen-bonded Turntrans-63.5-11.9-172.126.8-36.6000115.5
224H94.1Very high93.5Very high194 Ų19482.9 Ų82.990%0.89846%0.459SS*.THydrogen-bonded Turntrans-92.6-0.4174-60.9-61.3000113.8D222D222-H224 PolarHBondContact O-N 3.49Å
225K92.6Very high93.2Very high142 Ų14284 Ų8462%0.61746%0.46SS*.SBendtrans-113.1134.2179.8-174-178178.4-1760109.3D222 P227D222-K225 HydrophobicContact CB-CB 3.94Å; D222-K225 HydrophobicContact CB-CD 4.31Å; D222-K225 WeakPolarHBondContact O-CB 3.41Å; D222-K225 PolarHBondContact O-N 3.03Å; K225-P227 WeakPolarHBondContact O-CD 3.36Å
226L90.3Very high92.7Very high87 Ų8785.1 Ų85.146%0.45547%0.466SS..  trans-76.2124.8-179.2-160.371.8000110.5E231 I234L226-E231 HydrophobicContact CD2-CG 4.11Å; L226-I234 HydrophobicContact CD2-CD1 3.49Å; L226-I234 VanDerWaalsContact CD2-CD1 3.49Å
227P93.1Very high92.1Very high54 Ų5488.6 Ų88.635%0.35148%0.484SS..  trans-70.6154.7177.4-22.235.5000112.5A61 K225 A229 S230 E231A61-P227 HydrophobicContact CB-CB 3.81Å; A61-P227 HydrophobicContact CB-CG 3.89Å; K225-P227 WeakPolarHBondContact O-CD 3.36Å; P227-A229 VanDerWaalsContact C-N 3.28Å; P227-A229 PolarHBondContact O-N 2.84Å; P227-A229 VanDerWaalsContact O-N 3.15Å; P227-S230 WeakPolarHBondContact O-CA 3.38Å; P227-S230 WeakPolarHBondContact O-CB 3.3Å; P227-S230 PolarHBondContact O-N 3.15Å; P227-E231 PolarHBondContact O-N 3.1Å
228P91.6Very high90.9Very high101 Ų10193.8 Ų93.866%0.65650%0.5SS*.Hα-helixtrans-56.5-34.9-177.2-28.135.8000114.9S230 E231 Q232P228-S230 VanDerWaalsContact C-N 3.27Å; P228-S230 PolarHBondContact O-N 2.87Å; P228-E231 PolarHBondContact O-N 3.35Å; P228-Q232 PolarHBondContact O-N 3.03Å
229A90.1Very high89.3Confident51 Ų5191.8 Ų91.842%0.42150%0.502SS..Hα-helixtrans-66.9-27.7175.300000112.9A61 P227A61-A229 HydrophobicContact CB-CB 4.36Å; P227-A229 VanDerWaalsContact C-N 3.28Å; P227-A229 PolarHBondContact O-N 2.84Å; P227-A229 VanDerWaalsContact O-N 3.15Å
230S92.9Very high87.6Confident14 Ų1491.1 Ų91.110%0.09850%0.503CS..Hα-helixtrans-83.8-33.1173-62.90000112.1A61 P227 P228 Q232 V233A61-S230 PolarHBondContact N-OG 2.86Å; P227-S230 WeakPolarHBondContact O-CA 3.38Å; P227-S230 WeakPolarHBondContact O-CB 3.3Å; P227-S230 PolarHBondContact O-N 3.15Å; P228-S230 VanDerWaalsContact C-N 3.27Å; P228-S230 PolarHBondContact O-N 2.87Å; S230-Q232 VanDerWaalsContact C-N 3.27Å; S230-Q232 PolarHBondContact O-N 3.16Å; S230-V233 PolarHBondContact O-N 3.44Å
231E93.6Very high85.5Confident83 Ų8395.7 Ų95.739%0.38852%0.524SS..Hα-helixtrans-60.3-37.9167.4-69.8-170.7-178.900112.1L226 P227 P228 V233 I234 K235L226-E231 HydrophobicContact CD2-CG 4.11Å; P227-E231 PolarHBondContact O-N 3.1Å; P228-E231 PolarHBondContact O-N 3.35Å; E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.11Å; E231-I234 WeakPolarHBondContact O-CB 3.49Å; E231-I234 PolarHBondContact O-N 3.28Å; E231-K235 WeakPolarHBondContact O-CG 3.41Å; E231-K235 PolarHBondContact O-N 2.68Å; E231-K235 IonicContact OE2-NZ 3.86Å; E231-K235 PolarHBondContact OE2-NZ 3.28Å
232Q91.2Very high83.6Confident88 Ų8897.9 Ų97.941%0.41152%0.523SS..Hα-helixtrans-61-40.3-179.2-169.857.638.500111.4P228 S230 I234 K235 D236P228-Q232 PolarHBondContact O-N 3.03Å; S230-Q232 VanDerWaalsContact C-N 3.27Å; S230-Q232 PolarHBondContact O-N 3.16Å; Q232-I234 PolarHBondContact O-N 3.2Å; Q232-K235 CarbonylContact O-C 3.57Å; Q232-K235 WeakPolarHBondContact O-CA 3.45Å; Q232-K235 WeakPolarHBondContact O-CB 3.41Å; Q232-K235 PolarHBondContact O-N 2.68Å; Q232-D236 PolarHBondContact NE2-OD1 2.89Å; Q232-D236 PolarHBondContact O-N 3.41Å
233V91.7Very high81.4Confident38 Ų3898.2 Ų98.223%0.2353%0.533CS..Hα-helixtrans-57-35.9174-179.50000111.9R59 S230 E231 L237R59-V233 HydrophobicContact CB-CG1 4.01Å; R59-V233 HydrophobicContact CB-CG2 4.13Å; S230-V233 PolarHBondContact O-N 3.44Å; E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.11Å; V233-L237 WeakPolarHBondContact O-CB 3.38Å; V233-L237 PolarHBondContact O-N 3.4Å
234I90.5Very high79.4Confident105 Ų105102.8 Ų102.854%0.53854%0.536SS..Hα-helixtrans-71.3-39.2176.3-57.6176.3000110.9L226 E231 Q232 L237 K238L226-I234 HydrophobicContact CD2-CD1 3.49Å; L226-I234 VanDerWaalsContact CD2-CD1 3.49Å; E231-I234 WeakPolarHBondContact O-CB 3.49Å; E231-I234 PolarHBondContact O-N 3.28Å; Q232-I234 PolarHBondContact O-N 3.2Å; I234-L237 PolarHBondContact O-N 3.31Å; I234-K238 PolarHBondContact O-N 3.44Å; I234-K238 VanDerWaalsContact O-N 3.12Å
235K90.1Very high77Confident102 Ų10297.8 Ų97.844%0.44352%0.523SS..Hα-helixtrans-64.5-43.9176.5-64.5163.2-165.9162.40110.6E231 Q232 K238 G239E231-K235 WeakPolarHBondContact O-CG 3.41Å; E231-K235 PolarHBondContact O-N 2.68Å; E231-K235 IonicContact OE2-NZ 3.86Å; E231-K235 PolarHBondContact OE2-NZ 3.28Å; Q232-K235 CarbonylContact O-C 3.57Å; Q232-K235 WeakPolarHBondContact O-CA 3.45Å; Q232-K235 WeakPolarHBondContact O-CB 3.41Å; Q232-K235 PolarHBondContact O-N 2.68Å; K235-K238 PolarHBondContact O-N 3.29Å; K235-K238 VanDerWaalsContact O-N 3.17Å; K235-G239 PolarHBondContact O-N 2.99Å
236D87.3Confident74.6Confident91 Ų91101.5 Ų101.549%0.48754%0.535SS..Hα-helixtrans-65.1-38.9176.5-57.5-23.4000111.9Q232 K238 G239 S240Q232-D236 PolarHBondContact NE2-OD1 2.89Å; Q232-D236 PolarHBondContact O-N 3.41Å; D236-K238 PolarHBondContact O-N 3.3Å; D236-G239 PolarHBondContact O-N 3.31Å; D236-S240 PolarHBondContact O-N 2.87Å; D236-S240 PolarHBondContact O-OG 3.46Å
237L83.5Confident72.5Confident89 Ų89105.6 Ų105.647%0.46655%0.551SS.*Hα-helixtrans-66.8-24.7175.1-14376.8000113V233 I234 S240 Y242V233-L237 WeakPolarHBondContact O-CB 3.38Å; V233-L237 PolarHBondContact O-N 3.4Å; I234-L237 PolarHBondContact O-N 3.31Å; L237-S240 PolarHBondContact O-OG 2.87Å; L237-Y242 HydrophobicContact CD1-CE2 4.25Å
238K73.1Confident70.4Confident191 Ų191108.5 Ų108.583%0.8357%0.568SS**Hα-helixtrans-88.3-20.3175.7-167.7176.9179.5-177.20113I234 K235 D236I234-K238 PolarHBondContact O-N 3.44Å; I234-K238 VanDerWaalsContact O-N 3.12Å; K235-K238 PolarHBondContact O-N 3.29Å; K235-K238 VanDerWaalsContact O-N 3.17Å; D236-K238 PolarHBondContact O-N 3.3Å
239G61.9Low68.4Low69 Ų69108.5 Ų108.571%0.71157%0.568SS**SBendtrans-88.5-3.5173.900000114.5K235 D236K235-G239 PolarHBondContact O-N 2.99Å; D236-G239 PolarHBondContact O-N 3.31Å
240S60.1Low66.6Low48 Ų48112 Ų11234%0.33659%0.586SS.*SBendtrans-99.5127.4170.831.80000109.7D236 L237 Y242D236-S240 PolarHBondContact O-N 2.87Å; D236-S240 PolarHBondContact O-OG 3.46Å; L237-S240 PolarHBondContact O-OG 2.87Å; S240-Y242 PolarHBondContact O-N 2.95Å
241D51.3Low64.3Low167 Ų167116.9 Ų116.989%0.89362%0.621SS**  trans-69.375.8178.1-67.2-52.7000110.9S243D241-S243 PolarHBondContact O-N 2.75Å
242Y54Low62.2Low138 Ų138117.8 Ų117.854%0.54164%0.636SS.*  trans-70.177.3175.3-101.7-83.9000110.5L237 S240 W244L237-Y242 HydrophobicContact CD1-CE2 4.25Å; S240-Y242 PolarHBondContact O-N 2.95Å; Y242-W244 VanDerWaalsContact C-N 3.27Å; Y242-W244 PolarHBondContact O-N 3.12Å
243S43.8Very low60.2Low101 Ų101119.8 Ų119.871%0.70666%0.657SS**  trans-56.697.7151.2-177.70000107.5D241 S245D241-S243 PolarHBondContact O-N 2.75Å; S243-S245 PolarHBondContact O-N 3.45Å
244W49.9Very low57.9Low206 Ų206123.4 Ų123.478%0.7868%0.684SS**  trans-68.178164.5-76.492.7000108Y242 Y246Y242-W244 VanDerWaalsContact C-N 3.27Å; Y242-W244 PolarHBondContact O-N 3.12Å; W244-Y246 VanDerWaalsContact C-N 3.33Å; W244-Y246 PolarHBondContact O-N 3.02Å
245S44.2Very low55.8Low89 Ų89124.2 Ų124.262%0.62270%0.699SS**  trans-59.5102.3162.949.50000107.1S243 Q247S243-S245 PolarHBondContact O-N 3.45Å; S245-Q247 PolarHBondContact O-N 2.87Å
246Y43.1Very low53.9Low220 Ų220124.8 Ų124.886%0.86372%0.716SS**  trans-61.985.6165.4-89.9-96.3000107.3W244 T248W244-Y246 VanDerWaalsContact C-N 3.33Å; W244-Y246 PolarHBondContact O-N 3.02Å; Y246-T248 PolarHBondContact O-N 2.78Å
247Q45.9Very low51.8Low172 Ų172124 Ų12480%0.80473%0.729SS**  trans-7584.6176.9-170.5166.7900107.3S245S245-Q247 PolarHBondContact O-N 2.87Å
248T48.7Very low49.7Very low115 Ų115124.5 Ų124.571%0.70674%0.74SS**  trans-41.8126170-51.50000108.3Y246Y246-T248 PolarHBondContact O-N 2.78Å
249P49.8Very low48.4Very low102 Ų102125.9 Ų125.966%0.66274%0.74SS**PPolyproline II helixtrans-56.7137.2-174.822.4-33.4000109.6S251P249-S251 PolarHBondContact O-N 3.25Å
250P52.7Low47.2Very low123 Ų123131.6 Ų131.680%0.79975%0.745SS**PPolyproline II helixtrans-58.6125.3-178.424.4-33.6000109.3S252P250-S252 PolarHBondContact O-N 3.42Å
251S43.9Very low46.3Very low117 Ų117134.3 Ų134.382%0.81876%0.764SS**PPolyproline II helixtrans-52.9125.5-172.4-54.60000111.8P249P249-S251 PolarHBondContact O-N 3.25Å
252S49.7Very low45.8Very low102 Ų102131.2 Ų131.271%0.71376%0.756SS**PPolyproline II helixtrans-51.6138.5174.4-57.90000110.9P250 S254P250-S252 PolarHBondContact O-N 3.42Å; S252-S254 PolarHBondContact O-N 2.97Å
253P48.8Very low44.9Very low130 Ų130132.6 Ų132.684%0.84477%0.769SS**  trans-66.5106.7-179.426.5-33.8000110.4S255P253-S255 PolarHBondContact O-N 2.98Å; P253-S255 VanDerWaalsContact O-N 3.1Å
254S43.1Very low44.5Very low114 Ų114132.9 Ų132.980%0.79777%0.77SS**  trans-61.7111.4-180-64.40000111.6S252 S256S252-S254 PolarHBondContact O-N 2.97Å; S254-S256 PolarHBondContact O-N 3.24Å; S254-S256 VanDerWaalsContact O-N 3.13Å
255S47.7Very low43.9Very low122 Ų122129.1 Ų129.185%0.85378%0.775SS**  trans-68.2107.4167.4-174.80000109.6P253P253-S255 PolarHBondContact O-N 2.98Å; P253-S255 VanDerWaalsContact O-N 3.1Å
256S49.8Very low43.6Very low115 Ų115130.6 Ų130.680%0.80479%0.785SS**  trans-152.688.6170-76.90000108.1S254S254-S256 PolarHBondContact O-N 3.24Å; S254-S256 VanDerWaalsContact O-N 3.13Å
257G42.3Very low43.4Very low73 Ų73126.7 Ų126.775%0.75378%0.784SS**  trans-94.1178.1-173.400000114.7
258S40.9Very low43.1Very low100 Ų100125.6 Ų125.670%0.69978%0.784SS**  trans93.1112152.7-140.70000118.6
259R44.7Very low42.6Very low221 Ų221124.9 Ų124.983%0.83478%0.783SS**  133.7137.3124.4-68.8179.4-163.5-99.7-5.3114.2
260K37Very low42Very low188 Ų188124.2 Ų124.282%0.81779%0.786SS**  trans69.9106.9162.2-73.2167.5173.7-73.60115.4
261S40.7Very low41.2Very low105 Ų105127.3 Ų127.373%0.73479%0.79SS**  81.4141.485.269.70000113.1
262S40.9Very low40.9Very low103 Ų103126.7 Ų126.772%0.7279%0.786SS**  cis-169.61537.830.90000112.3
263M36.1Very low40.5Very low167 Ų167127.7 Ų127.782%0.82379%0.793SS**  trans48.5130.2154.8-55.2-154.184.600122.5
264C35Very low39.7Very low107 Ų107126.5 Ų126.572%0.72379%0.793SS**  trans41.9122.6141.7-56.10000121.7
265S36.5Very low39.5Very low127 Ų127126.5 Ų126.589%0.88879%0.793SS**  -177.7158.9106.2-780000112.9
266S37.8Very low38.8Very low120 Ų120132.8 Ų132.884%0.83980%0.799SS**  trans-114.6146.6-175.7-48.90000113
267V39.6Very low38.1Very low137 Ų137131.8 Ų131.883%0.8379%0.792SS**  trans-150.9122.8153-86.90000107.8
268N38.9Very low37.9Very low149 Ų149134.2 Ų134.280%0.79780%0.797SS**  67.3138.381-100.110.4000115.2
269S39.5Very low37.5Very low100 Ų100133.4 Ų133.470%0.69981%0.805SS**  cis-172.6161.4-19.6-118.60000112.9
270A37.2Very low36.9Very low88 Ų88127 Ų12773%0.72781%0.807SS**  trans50.9118.3151.700000122.7
271H34.8Very low36.8Very low188 Ų188122 Ų12287%0.8781%0.809SS**  -169.1-179.1102.673.3-81.5000110.2
272S37.6Very low36.5Very low105 Ų105122.4 Ų122.473%0.73482%0.819SS**  -170132.4-74.2-87.60000109.3
273S41.3Very low36.1Very low123 Ų123121.3 Ų121.386%0.8682%0.824SS**  trans-53.5155.9-171.6-40.50000117.7
274A32.8Very low36.1Very low104 Ų104120.9 Ų120.986%0.8683%0.83SS**  trans-144.1136.7152.800000111.5
275S38.5Very low36Very low114 Ų114119.3 Ų119.380%0.79783%0.832SS**  trans-138.7138.3175.6-49.80000109.3
276R34Very low35.9Very low254 Ų254119.3 Ų119.396%0.95883%0.833SS**  trans-165.8174.5154.6-116.3162177.4-167.3-5114.5
277S34.1Very low35.7Very low95 Ų95117.6 Ų117.666%0.66483%0.833SS**  trans-123.4173.1-148.954.50000114.8
278S38.9Very low35.3Very low123 Ų123115.1 Ų115.186%0.8684%0.836SS**  trans78.3151.6149.472.60000119.4
279G31.6Very low34.9Very low84 Ų84112.2 Ų112.287%0.86684%0.841SS**  trans125.6115.3-179.600000111.3
280G32.3Very low34.5Very low86 Ų86111 Ų11189%0.88784%0.844SS**  trans-118.9164.3175.700000111.8
281G34Very low34.3Very low83 Ų83112.6 Ų112.686%0.85685%0.85SS**  trans-172.5143.517600000111.1
282A34.6Very low34.2Very low113 Ų113112.2 Ų112.293%0.93485%0.849SS**  trans-98.4151.7177.800000111.2
283G33.8Very low34.6Very low81 Ų81111.3 Ų111.384%0.83584%0.84SS**  trans-167.4129.4175.900000112.2
284V34.7Very low34.1Very low157 Ų157114 Ų11495%0.95284%0.839SS**  trans-96.7141.3179.6177.30000109.6
285G33.5Very low34Very low74 Ų74114.6 Ų114.676%0.76384%0.837SS**  trans-176.6117.2172.700000114.3
286S34.3Very low34.3Very low128 Ų128114.8 Ų114.890%0.89584%0.835SS**  trans-80.1156.7-174.3-50.30000115.1
287G33.2Very low34.1Very low83 Ų83108 Ų10886%0.85683%0.827SS**  trans146.6127.9140.800000119.3
288G31.9Very low33.9Very low85 Ų85108.7 Ų108.788%0.87683%0.831SS**  trans106.1107.9147.500000117.6
289G31.1Very low33.4Very low88 Ų88108.5 Ų108.591%0.90783%0.83SS**  trans-82.1-176.9-173.400000118
290G29.8Very low33.2Very low75 Ų75109 Ų10977%0.77382%0.82SS**  trans173.8117.117900000115
291S33Very low33.1Very low121 Ų121110.4 Ų110.485%0.84682%0.817SS**  trans0.3138.1163.950.90000124.1
292Q33Very low32.8Very low181 Ų181116.4 Ų116.485%0.84682%0.815SS**  trans-18.2170.5143.1-89.3-168-22.300120.5
293P47.1Very low32.6Very low85 Ų85120.9 Ų120.955%0.55281%0.808SS**  cis-141.5-168.8-19.331.3-7.6000115.4
294H29.5Very low32.4Very low180 Ų180123.5 Ų123.583%0.83380%0.798SS**  trans94.1153.8163-53.7-60.3000120.2
295S30.6Very low32.1Very low116 Ų116126.6 Ų126.681%0.81179%0.792SS**  trans-117.7173.9-168.9-53.70000110.2
296P45.6Very low32.1Very low118 Ų118127.6 Ų127.677%0.76679%0.788SS**  cis-143.9175.418.743.3-23.3000119.4
297S29.5Very low31.9Very low112 Ų112126.7 Ų126.778%0.78378%0.781SS**  trans-6.9154.9149.1-480000120.2
298S30.6Very low31.9Very low109 Ų109130.6 Ų130.676%0.76278%0.78SS**  cis-167.7158.413.4-133.80000113.5
299S27.1Very low32.8Very low120 Ų120131.4 Ų131.484%0.83977%0.769SS**  trans-166.8118.5146.7-89.60000115.5
300S28.3Very low32.8Very low93 Ų93134.6 Ų134.665%0.6576%0.761SS**  trans38.4124.4145.8-163.60000122.2
301S30.8Very low33Very low117 Ų117138.4 Ų138.482%0.81876%0.758SS**  -167.4137.7111.3-86.50000116.6
302Y27Very low33.4Very low208 Ų208137.7 Ų137.782%0.81675%0.751SS**  trans-49.8154.8172.7-70.1-102.4000118.1
303R31.6Very low34.1Very low208 Ų208134.6 Ų134.679%0.78575%0.746SS**  169.4155.9118.6-88.2157.5-163.5-105.58.9110.2
304H27.7Very low33.9Very low135 Ų135136.4 Ų136.463%0.62576%0.758SS**  cis-150.4159.43.4-116.6-50000111.7
305R30.2Very low34.7Very low222 Ų222134 Ų13484%0.83876%0.759SS**  trans11.5149.5145.1-74.8179.1168.8-133.7-0.2120.9
306S32.3Very low34.8Very low96 Ų96132.6 Ų132.667%0.67176%0.762SS**  cis-167.1-159.5-10.249.90000108
307S30.7Very low34.1Very low108 Ų108130.5 Ų130.576%0.75576%0.762SS**  cis-154.8-144.925.7-56.50000112
308M32.3Very low34.2Very low166 Ų166133.3 Ų133.382%0.81877%0.767SS**  trans-156.1166.9-176.6-110-70.7-17900108.5Q310M308-Q310 PolarHBondContact SD-N 3.36Å; M308-Q310 VanDerWaalsContact SD-N 3.37Å
309P50.3Low34.3Very low102 Ų102132.2 Ų132.266%0.66276%0.764SS**  -148.9146.45537.5-15.1000120.7
310Q31.9Very low34.4Very low154 Ų154130.8 Ų130.872%0.7276%0.76SS**  trans73.2150.3142.2-70174.9-94.900121M308M308-Q310 PolarHBondContact SD-N 3.36Å; M308-Q310 VanDerWaalsContact SD-N 3.37Å
311Q33.9Very low34.6Very low155 Ų155134.9 Ų134.972%0.72477%0.768SS**  cis-154.3-68.4-17171.7171.1-10.200117.9
312P41.2Very low34.8Very low107 Ų107140.7 Ų140.770%0.69577%0.772SS**  trans-125.7-163.6-156.944.6-26000114.9
313P47.3Very low35.1Very low115 Ų115137.8 Ų137.875%0.74777%0.77SS**  -133.6165-103.538.3-17.3000117.6
314P43.8Very low35Very low124 Ų124133 Ų13381%0.80577%0.768SS**  trans-110.7146.5168.437.7-29.8000114.1
315P46.3Very low35.2Very low129 Ų129131.7 Ų131.784%0.83877%0.774SS**  trans-104.3116.9177.735.4-29.8000115.3
316G33.3Very low35.3Very low86 Ų86127.7 Ų127.789%0.88777%0.774SS**  trans75.9139.3154.500000118.4
317G30.8Very low35.3Very low74 Ų74128.3 Ų128.376%0.76378%0.779SS**  cis177.2140.4-7.500000111
318I30.1Very low35.5Very low172 Ų172127 Ų12788%0.88277%0.77SS**  trans-147.2153.9-171.5-15175.4000113.7
319A33Very low35.7Very low86 Ų86127.5 Ų127.571%0.71177%0.769SS**  trans6145155.900000124
320A30.3Very low34.7Very low90 Ų90129 Ų12974%0.74477%0.772SS**  trans45.5132.3132.600000123.4
321H32Very low35.3Very low179 Ų179126.8 Ų126.883%0.82977%0.773SS**  trans26.3126.8146-76-91.5000121.1
322R33.8Very low35.2Very low239 Ų239122.5 Ų122.590%0.90277%0.771SS**  -159.9-172.2124.2-84.5-120.1175.4-116.9-7.2110.3
323L34.8Very low34.8Very low146 Ų146127.4 Ų127.476%0.76478%0.782SS**  trans-121.6170.4-153.1-65.8167.9000115.4
324S28.8Very low34.1Very low107 Ų107127.3 Ų127.375%0.74878%0.779SS**  trans80.3114.114343.30000123.4
325S31.1Very low33.8Very low108 Ų108126.5 Ų126.576%0.75578%0.776SS**  99.796.2119.1-62.50000124.6
326V33.6Very low33.2Very low139 Ų139128.7 Ų128.784%0.84278%0.775SS**  49.3144.8128.4-141.70000123.9
327S31.2Very low33.3Very low109 Ų109132.6 Ų132.676%0.76278%0.776SS**  trans99136.6146.3-153.70000117.4
328S35.4Very low33.5Very low81 Ų81133.3 Ų133.357%0.56678%0.775SS**  cis-173.5175.3-13.844.80000112.1
329H36.6Very low33.6Very low175 Ų175132 Ų13281%0.8177%0.77SS**  trans72.3152.8166.9-58.995.8000118.2
330D28.9Very low33.6Very low134 Ų134134.6 Ų134.672%0.71777%0.77SS**  cis-168.5167.9-21.4175.253.9000110.8
331S44.3Very low33.8Very low107 Ų107140.4 Ų140.475%0.74877%0.774SS**  trans70.1140.5164.4-75.50000119.5
332G32.9Very low33.8Very low66 Ų66136.4 Ų136.468%0.6877%0.766SS**  cis168.1151.8-11.300000114.9
333F32.5Very low33.7Very low209 Ų209134.4 Ų134.492%0.91776%0.764SS**  trans61.7158166.6-89.8-83000119
334V32.7Very low33.8Very low113 Ų113133.3 Ų133.369%0.68577%0.766SS**  cis-131.5162-6.8-151.10000106
335S36.6Very low34.2Very low107 Ų107133.7 Ų133.775%0.74877%0.766SS**  -164.2167.350.9-68.30000113.5
336Q35.3Very low34.7Very low175 Ų175134.6 Ų134.682%0.81877%0.772SS**  trans-70.1164.6161.7-68150.9-54.200109.6
337D34.2Very low34.9Very low169 Ų169133.9 Ų133.990%0.90477%0.77SS**  -132.3168.760.7-80.8-50.2000115.9
338A36.1Very low34.9Very low89 Ų89136.9 Ų136.974%0.73677%0.774SS**  trans-126147.1-17800000112.4
339N30.9Very low36Very low145 Ų145138 Ų13878%0.77578%0.78SS**  trans-161.1133.2138.3-112.2-19.5000112.7
340I34.6Very low35.8Very low139 Ų139134.5 Ų134.571%0.71378%0.775SS**  trans45.2118.9132.1-63.3171.7000116.7
341Y34.6Very low35.8Very low212 Ų212134.6 Ų134.683%0.83178%0.775SS**  cis-156.7172.816.5-151-123.6000114.3
342S30.3Very low35.3Very low96 Ų96137.2 Ų137.267%0.67178%0.779SS**  trans-33.2157.1-179.2-540000122.2
343K32.8Very low35.2Very low196 Ų196139.9 Ų139.985%0.85278%0.782SS**  trans-56157.8177.8-60.8171.4179.5175.50115.8
344P36.7Very low35.2Very low123 Ų123135.4 Ų135.480%0.79978%0.777SS**  trans-86.1150.7171.835.6-35.4000113.9
345P37.8Very low35Very low116 Ų116139.2 Ų139.275%0.75379%0.788SS**  trans-106.9155.6155.237-29000112.1
346S40.2Very low34.6Very low126 Ų126144.1 Ų144.188%0.88180%0.795SS**  trans-84.3144.1169.8-52.90000111.7
347P37.8Very low34.2Very low124 Ų124141.2 Ų141.281%0.80579%0.794SS**  trans-141.9160.4146.737.6-23.3000115.5
348M31.9Very low34.1Very low173 Ų173138.8 Ų138.885%0.85279%0.79SS**  trans-121.6172.1152.9-85.6-171.869.400107
349P59.3Low34Very low105 Ų105139.6 Ų139.668%0.68279%0.791SS**  cis-127.9-174.9-39.838.1-22.9000111.1
350S32.2Very low34.2Very low101 Ų101138.2 Ų138.271%0.70679%0.792SS**  172.6139.5128.8-107.10000116
351D28.9Very low33.9Very low136 Ų136135.7 Ų135.773%0.72779%0.793SS**  trans47.1115.4140.4-58.1-64.1000124
352I32.1Very low33.8Very low162 Ų162131 Ų13183%0.83179%0.79SS**  -168.9156.5120.438.6169.4000110.3
353T31.8Very low33.8Very low121 Ų121132.2 Ų132.274%0.74280%0.799SS**  cis-171.7140.5-38.2-173.70000109.4
354S32.6Very low33.7Very low116 Ų116132.1 Ų132.181%0.81180%0.802SS**  trans177120.3151.1-84.60000115.1
355Q29.4Very low33.3Very low193 Ų193131 Ų13190%0.90280%0.803SS**  trans-4129.6158.2-52.4-179.72.900120.9
356K26.6Very low33Very low210 Ų210130 Ų13091%0.91380%0.799SS**  -167.814692.8-172.9169.2179.4-179.80111.2
357S28.5Very low32.5Very low113 Ų113132.1 Ų132.179%0.7980%0.795SS**  trans-108.5146.1-170.5-44.20000114.2
358S31.3Very low32Very low118 Ų118133 Ų13383%0.82580%0.798SS**  trans-156.5102.8151.456.40000112.6
359S34Very low32Very low107 Ų107129.9 Ų129.975%0.74879%0.792SS**  trans-48.5164.616040.40000115.3
360S34Very low30.5Very low115 Ų115133.5 Ų133.580%0.80480%0.8SS**  cis-174.6176.2-7.2-95.10000111.3
361A30.1Very low30.3Very low87 Ų87133.3 Ų133.372%0.71980%0.799SS**  trans97.3102.314400000121.7
362S30.8Very low30.2Very low112 Ų112132.6 Ų132.678%0.78380%0.799SS**  56.5125.2118.9-47.20000123
363S30.8Very low30.1Very low123 Ų123130.3 Ų130.386%0.8680%0.797SS**  162.2168.8109.7-69.50000112.9
364E31.6Very low29.9Very low193 Ų193133.6 Ų133.690%0.90280%0.804SS**  trans-108.5149.8-171-49.9174.310800112.4
365A28.5Very low29.5Very low101 Ų101133.6 Ų133.684%0.83580%0.803SS**  trans173147.2140.500000115.1
366S30.5Very low29.4Very low94 Ų94130.4 Ų130.466%0.65780%0.802SS**  trans17.3126.5150-76.10000124.9
367E29.2Very low29.4Very low170 Ų170125.9 Ų125.979%0.79480%0.797SS**  68.8140.7118.5-60.7172.6107.900124.1
368T28.7Very low29.4Very low142 Ų142126.5 Ų126.587%0.87180%0.798SS**  trans86.2149.8159.8-32.20000117.3
369C32.3Very low29.3Very low109 Ų109127.5 Ų127.574%0.73680%0.8SS**  trans-106.8158.7-161.4-41.40000113.4
370Q27.6Very low28.9Very low181 Ų181128.3 Ų128.385%0.84680%0.8SS**  -177.3142.3127-103.9168.162.600114.1
371S28.2Very low28.6Very low96 Ų96132.9 Ų132.967%0.67181%0.806SS**  trans61.3147.5134.9-56.90000121.7
372V26.6Very low28.6Very low122 Ų122131.8 Ų131.874%0.73980%0.803SS**  cis-163.6154.3-13.4-97.80000110
373S29.5Very low28.5Very low113 Ų113132.3 Ų132.379%0.7981%0.807SS**  trans62.4167.6153.8-57.40000118.3
374E26.4Very low28.6Very low191 Ų191132.4 Ų132.489%0.89381%0.808SS**  cis-130.8-179.211.7-84.5-170.187.800114.2
375C25.3Very low28.5Very low116 Ų116132.1 Ų132.178%0.78480%0.804SS**  trans-94.4158.5-175-61.90000114.6
376S26.9Very low28.6Very low126 Ų126131.5 Ų131.588%0.88179%0.789SS**  trans-163128139.7-85.90000111.6
377S26.8Very low28.5Very low115 Ų115133.3 Ų133.380%0.80480%0.797SS**PPolyproline II helixtrans-103151.6-172.1-50.60000113.1
378P29.1Very low28.5Very low125 Ų125134.3 Ų134.381%0.81280%0.799SS**PPolyproline II helixtrans-90.4147.6156.234.3-30.4000112.1
379T27.6Very low28.6Very low140 Ų140138.1 Ų138.186%0.85980%0.797SS**PPolyproline II helixtrans-62.9136.4-169.2-44.90000115.7
380T27.6Very low28.5Very low124 Ų124138.6 Ų138.676%0.76180%0.798SS**PPolyproline II helixtrans-65134.3167.5-58.40000112.3
381F27.4Very low28.6Very low210 Ų210134.5 Ų134.592%0.92180%0.796SS**  trans-131.1126.8152-129.8-89.8000109
382G28.5Very low28.7Very low64 Ų64137.4 Ų137.466%0.6680%0.803SS**  trans-77148.8-167.900000114.1
383S30.1Very low28.7Very low123 Ų123137.1 Ų137.186%0.8681%0.806SS**  trans-132.2100.8165.4-170.80000109
384S33.3Very low28.7Very low126 Ų126140.4 Ų140.488%0.88181%0.809SS**  trans-89.9108.6-177.7-59.20000110.6
385F28.8Very low28.8Very low187 Ų187137.4 Ų137.482%0.8281%0.809SS**  trans-132.899.4161.8-165.9-94.9000112
386V31Very low28.8Very low88 Ų88135.7 Ų135.753%0.53381%0.81SS.*  trans17.8103.5155.5-165.50000117.8F388V386-F388 HydrophobicContact CG1-CD2 3.46Å; V386-F388 VanDerWaalsContact CG1-CD2 3.46Å; V386-F388 HydrophobicContact CG1-CE2 3.51Å; V386-F388 HydrophobicContact CG1-CG 4.28Å; V386-F388 HydrophobicContact CG1-CZ 4.35Å
387T28.1Very low29Very low132 Ų132135.4 Ų135.481%0.8181%0.808SS**  trans-77.3115.4154.2-57.90000109.5
388F29.2Very low29.2Very low191 Ų191135.2 Ų135.284%0.83880%0.803SS**  trans-94.9125.8160-92.2-70000110.1V386V386-F388 HydrophobicContact CG1-CD2 3.46Å; V386-F388 VanDerWaalsContact CG1-CD2 3.46Å; V386-F388 HydrophobicContact CG1-CE2 3.51Å; V386-F388 HydrophobicContact CG1-CG 4.28Å; V386-F388 HydrophobicContact CG1-CZ 4.35Å
389R30.4Very low29.3Very low222 Ų222140 Ų14084%0.83881%0.805SS**  trans-114.5120.8-176.9-173.6-174.7-170.2-167.64.6109A391R389-A391 PolarHBondContact O-N 2.69Å
390P31.3Very low30Very low118 Ų118138.6 Ų138.677%0.76680%0.798SS**  trans-65.8128.5173.6-18.731.7000110.6
391A28.2Very low30.1Very low95 Ų95140.5 Ų140.579%0.78580%0.802SS**  trans-99.189.2175.500000110.1R389 S393R389-A391 PolarHBondContact O-N 2.69Å; A391-S393 PolarHBondContact O-N 3.27Å
392L29.9Very low30.1Very low158 Ų158135.4 Ų135.483%0.82779%0.793SS**  trans-82.798.8169-77.2170.3000109.8H394L392-H394 PolarHBondContact O-N 3.32Å
393S27.7Very low30.2Very low115 Ų115138.8 Ų138.880%0.80480%0.801SS**  trans-81.4102.8170.3-68.40000110.2A391A391-S393 PolarHBondContact O-N 3.27Å
394H28.3Very low30.1Very low183 Ų183140.3 Ų140.385%0.84780%0.797SS**  trans-117.4115.5159.4-86.233.7000108.3L392L392-H394 PolarHBondContact O-N 3.32Å
395S28.6Very low29.9Very low127 Ų127141.5 Ų141.589%0.88879%0.793SS**  trans-141.595.1169.2-1710000108.7
396G27.1Very low30.4Very low80 Ų80138.3 Ų138.383%0.82579%0.791SS**  trans-128.491.8176.400000109.3
397S29.7Very low30.4Very low120 Ų120140.1 Ų140.184%0.83980%0.802SS**  trans-92.8145.1171.1-164.30000110.3
398T30.8Very low31.6Very low112 Ų112139.5 Ų139.569%0.68780%0.8SS**  trans-92.7151.9-179.459.70000109.2
399R31.3Very low31.4Very low225 Ų225135.2 Ų135.285%0.84980%0.801SS**  -174.2-173.555.9-66.4-178.7179.6-161.7-2.6108
400P41.9Very low31.3Very low110 Ų110130.2 Ų130.271%0.71480%0.8SS**  -127170.8-51.835.4-19.7000113.5
401L30.4Very low32.5Very low164 Ų164130 Ų13086%0.85980%0.798SS**  trans24.5128.1148.7-58.3168.3000119.1
402S28.1Very low33.2Very low104 Ų104131.7 Ų131.773%0.72780%0.801SS**  -177.8137.364.338.70000116.5
403V29.2Very low33.1Very low134 Ų134133.9 Ų133.981%0.81280%0.8SS**  trans74.3142.8130.3-178.90000121.7
404I30Very low33.1Very low155 Ų155136.4 Ų136.480%0.79580%0.803SS**  trans92.2121.4171.7-45.1-159.3000119.5
405L28.2Very low33.2Very low151 Ų151137.7 Ų137.779%0.79180%0.8SS**  trans-105.5152.8158.9-95.5164.8000107.7
406P40Very low33.9Very low121 Ų121136.8 Ų136.879%0.78679%0.791SS**  -152.6-150.269.942.8-20.6000115.9
407V30.9Very low34Very low126 Ų126138.7 Ų138.776%0.76479%0.792SS**  trans-106.3-155.5-149.2-148.90000112.9
408P51.7Low33.9Very low118 Ų118136.3 Ų136.377%0.76679%0.786SS**  -115.7171.2-122.642.8-27.7000117
409A26.1Very low33.8Very low102 Ų102136.9 Ų136.984%0.84379%0.794SS**  trans-160.1152.8159.900000114.1
410S28.2Very low33.5Very low117 Ų117130.9 Ų130.982%0.81879%0.787SS**  trans-155.6167.8170-63.20000108.6
411P55.6Low32.8Very low114 Ų114131.1 Ų131.174%0.7479%0.792SS**  cis-113.7-158.1-40.336.7-20000110
412P43.6Very low32.6Very low129 Ų129128.9 Ų128.984%0.83879%0.79SS**  -149.4172.9108.137.8-20.8000117.1
413Y27Very low32.5Very low204 Ų204129.4 Ų129.480%0.879%0.793SS**  trans-91.5152.5178.3-106-101.2000113.9
414I28.5Very low32.9Very low169 Ų169128.5 Ų128.587%0.86779%0.79SS**  trans-147.1146.7144.6-69.2-164.6000110.4
415R29.6Very low32.6Very low209 Ų209127.3 Ų127.379%0.78979%0.79SS**  trans-154.1146.8171.3-167.7-148.8-75.7-176.8-4.5111.4
416P43.3Very low32.6Very low108 Ų108125.2 Ų125.270%0.70179%0.788SS**  trans-138140.9132.8183.9000113.2
417S29.9Very low31.9Very low121 Ų121129 Ų12985%0.84679%0.792SS**  79.6137.678-53.40000114.7
418G28Very low31.6Very low69 Ų69129.4 Ų129.471%0.71180%0.795SS**  cis177.8-162.9-0.700000113.7
419S27.7Very low30.4Very low124 Ų124129 Ų12987%0.86779%0.792SS**  trans81.3147.4178.378.10000118.5
420S26.1Very low30.4Very low99 Ų99133.2 Ų133.269%0.69280%0.797SS**  cis-169.5144.6-18.8480000114.1
421S26Very low30.2Very low116 Ų116139.2 Ų139.281%0.81180%0.802SS**  trans59.6152160.847.40000120
422S27.1Very low28.7Very low117 Ų117142.5 Ų142.582%0.81880%0.804SS**  cis-160.8157.1-8.6440000111.5
423S26.3Very low27.8Very low115 Ų115141.6 Ų141.680%0.80479%0.792SS**  trans-88.8173.4-177.4-35.10000113.8
424P36.5Very low27.7Very low115 Ų115142.7 Ų142.775%0.74780%0.795SS**  -155.615870.643.1-22.7000120
425T25.2Very low27.5Very low129 Ų129140.5 Ų140.579%0.79180%0.795SS**  trans36.4126.3143.4-155.80000123.2
426S27Very low27.3Very low107 Ų107140.7 Ų140.775%0.74880%0.801SS**  166.6140.697.4-168.50000114.5
427K26Very low26.6Very low200 Ų200140 Ų14087%0.8781%0.805SS**  trans-60.3144.1-175.7-58.7164.5178.8177.90115
428V23.8Very low26.4Very low135 Ų135137.8 Ų137.882%0.81880%0.801SS**  trans-117.6144.7154.5173.30000108.3
429P27.2Very low26.1Very low111 Ų111144.3 Ų144.372%0.72181%0.813SS**  trans-81.2146.1-164-13.830.9000114.8
430M24.8Very low25.9Very low190 Ų190148 Ų14894%0.93681%0.81SS**  trans-72.7129157.6-57.2-164.9-51.300109.7
431W24.9Very low25.9Very low243 Ų243148.4 Ų148.492%0.9280%0.8SS**  trans-142.496.715364.9-64.6000108.7
432K24.1Very low25.6Very low182 Ų182151.9 Ų151.979%0.79180%0.804SS**  trans-90.5150.7163.9176.6167.1177.3-178.90107.9
433D24.4Very low26Very low110 Ų110150.6 Ų150.659%0.58879%0.793SS**  trans88.7109.5157.8-85.412.8000121.1
434W26.1Very low25.9Very low228 Ų228149.9 Ų149.986%0.86479%0.794SS**  trans109.5122.3134.4-6924000118.7
435S23.9Very low25.4Very low123 Ų123149.4 Ų149.486%0.8680%0.8SS**  trans-154.696.9154.8-83.30000110.2
436K24.6Very low25.5Very low212 Ų212148.1 Ų148.192%0.92280%0.802SS**  trans-126.285.9141.3-154.2173.9-171.2-179.30107.7
437A28.4Very low25.6Very low95 Ų95147.4 Ų147.479%0.78580%0.803SS**PPolyproline II helixtrans-64.9144.5-177.400000111.4
438G25.5Very low26.2Very low74 Ų74143.4 Ų143.476%0.76380%0.797SS**PPolyproline II helixtrans-82.2168.2165.200000111.7
439Q22.3Very low26.3Very low205 Ų205142.7 Ų142.796%0.95879%0.793SS**PPolyproline II helixtrans-95.4151.6169.3-64.2-175.5-80.400111
440Y23.3Very low26.2Very low203 Ų203144.6 Ų144.680%0.79679%0.792SS**  trans-150.7142.2-179.9-148.7-113.8000105
441E26.1Very low26.2Very low106 Ų106145.1 Ų145.150%0.49578%0.784SS.*  cis-159.3177.54.2-155.9-169.5-158.600109P443E441-P443 WeakPolarHBondContact OE2-CD 3.42Å; E441-P443 WeakPolarHBondContact OE2-CG 3.45Å
442Q21.1Very low26.4Very low190 Ų190144.5 Ų144.589%0.88878%0.781SS**  -145.8130.7130-151.8175.996.400111.1
443P35.3Very low26.4Very low89 Ų89145.1 Ų145.158%0.57878%0.784SS**  trans-106.5168.7-170.438.6-35.5000115.3E441E441-P443 WeakPolarHBondContact OE2-CD 3.42Å; E441-P443 WeakPolarHBondContact OE2-CG 3.45Å
444A24.2Very low26.3Very low100 Ų100148.3 Ų148.383%0.82680%0.795SS**  trans-155.7143.8168.700000116.1
445A26.3Very low26.9Very low106 Ų106142.6 Ų142.688%0.87679%0.787SS**  trans67.6147162.700000119.1
446A26.3Very low27.1Very low102 Ų102142.7 Ų142.784%0.84378%0.783SS**  cis-137.4173.416.200000114.7
447A28.9Very low27.2Very low92 Ų92138.7 Ų138.776%0.7677%0.771SS**  trans-97.7-175.7-175.300000113.4
448P38Very low27.2Very low116 Ų116144.6 Ų144.675%0.75377%0.773SS**  -157.4173.88743-23.3000119
449V26Very low27.3Very low120 Ų120148.3 Ų148.373%0.72778%0.775SS**  trans85.3128.5156.4-1710000121.9
450Q25.8Very low27.7Very low151 Ų151148.3 Ų148.371%0.70677%0.766SS**  trans64.1124160.9-80.3175.539.900118.9
451R25.4Very low27.7Very low200 Ų200145.8 Ų145.876%0.75576%0.761SS**  cis-177.3118.949.5171.1-179.3-80.9106.6-0.2113.2
452R27.8Very low27.7Very low231 Ų231145.7 Ų145.787%0.87277%0.773SS**  trans71.2136.5141.8-155.4-177.5-152.8175.37.8121.8
453K25.4Very low28Very low195 Ų195144.3 Ų144.385%0.84877%0.766SS**  trans93.5109.5151.5-112.6-173.1178-1680120.8
454E21.9Very low27.6Very low177 Ų177142.9 Ų142.983%0.82777%0.768SS**  trans-58.7174.1146.8-77.2-176.8129.800112.7
455P38.3Very low27.7Very low107 Ų107142.8 Ų142.870%0.69576%0.761SS**  cis-151.617330.445.1-24.9000121
456V28.8Very low28.5Very low126 Ų126144.1 Ų144.176%0.76476%0.761SS**  trans62.3135.3141165.40000118.1
457D26.8Very low28.5Very low128 Ų128142.7 Ų142.768%0.68476%0.756SS**  cis-154.6175.747.2-137.2-32.1000115.8
458R27.3Very low28.6Very low219 Ų219143.6 Ų143.683%0.82676%0.757SS**  trans-56.1170-177.1-66.7161.3169.8165.2-6.3116.8
459L27.9Very low28.2Very low152 Ų152146 Ų14680%0.79676%0.757SS**  -165.5131.353.8-17169.5000110.3
460R30.2Very low28.2Very low204 Ų204143.2 Ų143.277%0.7775%0.753SS**  50.5138.7101.6-128.1-158.8157144.6-3.1114.8
461E23.3Very low28.4Very low150 Ų150146.2 Ų146.270%0.70176%0.76SS**  cis-137.7160.620.7-74173.4112.100110.9
462S26.5Very low28.4Very low105 Ų105140.9 Ų140.973%0.73476%0.758SS**  cis72.9134.542-140.50000113.6
463E27.2Very low28.3Very low160 Ų160134.7 Ų134.775%0.74876%0.757SS**  cis-154.8-179-17.9-133.7-141.9115.200107.1S465E463-S465 WeakPolarHBondContact OE1-CB 3.32Å; E463-S465 PolarHBondContact OE1-OG 2.95Å
464G27.5Very low28.4Very low59 Ų59129.5 Ų129.561%0.60875%0.75SS**  cis-162.7169.85.500000109.4
465S25.8Very low28.6Very low98 Ų98126.8 Ų126.869%0.68575%0.751SS**  72.9152.573.1-64.60000114.4E463E463-S465 WeakPolarHBondContact OE1-CB 3.32Å; E463-S465 PolarHBondContact OE1-OG 2.95Å
466P42.8Very low28Very low135 Ų135129.7 Ų129.788%0.87776%0.755SS**  cis-107-172.8-2.741.9-31.9000112.1
467G27.4Very low28.1Very low72 Ų72129.3 Ų129.374%0.74276%0.755SS**  cis163.8170.50.800000108.1
468S30.4Very low28Very low110 Ų110130.7 Ų130.777%0.76976%0.757SS**  cis-164.3156.1-4.854.10000110.8
469H29.4Very low27.8Very low167 Ų167128.1 Ų128.177%0.77375%0.754SS**  trans15144.6157.4-55.989.4000122.8
470G25.9Very low27.6Very low62 Ų62124.6 Ų124.664%0.63976%0.755SS**  cis155.4179.8-2.700000114
471Y30.1Very low27.4Very low214 Ų214121.3 Ų121.384%0.83975%0.748SS**  trans71.3144.9165-58-71.5000118.6
472A26.4Very low27.8Very low88 Ų88123.8 Ų123.873%0.72775%0.751SS**  cis-154.3160.9-3.800000113
473A25.8Very low27.9Very low101 Ų101125.1 Ų125.184%0.83576%0.757SS**  trans33.7153.3149.500000122.1
474A26.5Very low27.9Very low86 Ų86127 Ų12771%0.71176%0.758SS**  cis-166.4172.227.100000114.8
475S25.8Very low27.8Very low120 Ų120133 Ų13384%0.83977%0.772SS**  trans66.5140.114651.50000124.5
476H26.7Very low28Very low168 Ų168133.1 Ų133.178%0.77877%0.769SS**  trans-66.2161.8162.9-117.2-110.8000112.4
477P31.6Very low27.3Very low118 Ų118132.8 Ų132.877%0.76677%0.766SS**  -133.8178.271.137.3-20.9000113
478E23.2Very low27.3Very low156 Ų156134 Ų13473%0.72977%0.77SS**  cis86.1131.126.5-137.6-151.812800118
479E23.3Very low27.2Very low165 Ų165134.2 Ų134.277%0.77177%0.771SS**  trans29.9148.2172.8-71.5-140.9151.400124.8
480G24.7Very low27.3Very low79 Ų79134.5 Ų134.581%0.81478%0.777SS**  trans173.1109.217000000113.1
481Q26.1Very low27.4Very low135 Ų135136 Ų13663%0.63178%0.783SS**  trans-91.3148-163.9-50.6-17811.600116.6
482R30.3Very low27.3Very low201 Ų201130.3 Ų130.376%0.75878%0.781SS**  trans68.6160.4139.9-85.6175.9-173114.23.9117.4
483P29.1Very low27.5Very low133 Ų133135.5 Ų135.586%0.86479%0.787SS**  cis-123.4-17435.541.6-26.6000117.7
484R26.8Very low27.6Very low201 Ų201139.8 Ų139.876%0.75879%0.789SS**  trans-141.9137.9-168.9164.1-163.6-175.4-178.95.1108.6
485M26.3Very low28Very low184 Ų184138.3 Ų138.391%0.90678%0.782SS**  trans-154.5168.9146.6-92.9-44.5157.800111.4
486T29.2Very low28Very low100 Ų100142.2 Ų142.261%0.61379%0.787SS**  trans-120.6154.8-156.8490000114.4
487P28.2Very low28.4Very low128 Ų128143.1 Ų143.183%0.83179%0.792SS**  trans-71.7149.4161.432.9-34.1000110.9
488A27.5Very low28.5Very low98 Ų98143.9 Ų143.981%0.8179%0.794SS**  trans-107.1158.9177.200000111.9
489S29Very low29.3Very low115 Ų115140.6 Ų140.680%0.80479%0.788SS**  trans-81.4148.7175.4-174.90000111.7
490I30.3Very low30.5Very low172 Ų172138 Ų13888%0.88279%0.785SS**  trans-136.6132.2162.5-37.2176.7000107.7
491A28.1Very low31.5Very low93 Ų93137.4 Ų137.477%0.76977%0.773SS**  trans-137126.7177.300000111.4
492A28.9Very low32.6Very low96 Ų96134.1 Ų134.179%0.79377%0.769SS**  trans-134.5117.1163.300000105.9
493K30.6Very low33.5Very low197 Ų197128.3 Ų128.386%0.85776%0.759SS**  74.4111.867.4-76.4-83.5-172.5173.30111.8
494H27.7Very low34.6Very low190 Ų190126.8 Ų126.888%0.8874%0.744SS**  trans65.8135.6167.7173.6-68.6000115
495G34.3Very low35.7Very low56 Ų56123 Ų12358%0.57774%0.738SS**  cis139.1112.13.700000109.5
496E26.7Very low37.1Very low201 Ų201116.8 Ų116.894%0.93972%0.716SS**  trans-151.6149.5-176.6-160.7170.8171.100110.9
497E33.9Very low38.4Very low188 Ų188116 Ų11688%0.87971%0.707SS**PPolyproline II helixtrans-89.8154.2-170.5-58.7-172.2139.900113S499E497-S499 PolarHBondContact O-N 3.23Å
498V35.1Very low39.8Very low134 Ų134114.6 Ų114.681%0.81270%0.695SS**PPolyproline II helixtrans-76119.7174.7178.60000109.5
499S38.3Very low40.9Very low87 Ų87116.7 Ų116.761%0.60869%0.692SS**PPolyproline II helixtrans-59.5142.7-172.8-1660000113.7E497 A501 A502E497-S499 PolarHBondContact O-N 3.23Å; S499-A501 PolarHBondContact O-N 2.92Å; S499-A502 PolarHBondContact O-N 3.18Å
500P48.4Very low41.8Very low109 Ų109117.2 Ų117.271%0.70869%0.69SS**THydrogen-bonded Turntrans-58.6-24.6-169.7-27.935.8000116.4A502 S503P500-A502 PolarHBondContact O-N 3.4Å; P500-A502 VanDerWaalsContact O-N 3.09Å; P500-S503 WeakPolarHBondContact O-CB 3.41Å; P500-S503 PolarHBondContact O-N 2.81Å
501A46.1Very low42.7Very low67 Ų67118.1 Ų118.155%0.55468%0.683SS**Hα-helixtrans-58.8-25-174.300000114.5S499S499-A501 PolarHBondContact O-N 2.92Å
502A49.7Very low43.6Very low67 Ų67116.4 Ų116.455%0.55467%0.674SS**Hα-helixtrans-71.2-29.4176.200000113.2S499 P500S499-A502 PolarHBondContact O-N 3.18Å; P500-A502 PolarHBondContact O-N 3.4Å; P500-A502 VanDerWaalsContact O-N 3.09Å
503S48.6Very low44Very low78 Ų78120.1 Ų120.155%0.54568%0.68SS.*Hα-helixtrans-75.7-40.3-179.2-167.10000111.9P500 A506 M507P500-S503 WeakPolarHBondContact O-CB 3.41Å; P500-S503 PolarHBondContact O-N 2.81Å; S503-A506 WeakPolarHBondContact O-CB 3.47Å; S503-A506 PolarHBondContact O-N 3.47Å; S503-M507 PolarHBondContact O-N 3.28Å; S503-M507 VanDerWaalsContact O-N 3.07Å
504D53Low44Very low102 Ų102115.7 Ų115.755%0.54567%0.673SS.*Hα-helixtrans-69.7-39.3-176.2-129.924.2000111.9A506 M507 V508D504-A506 VanDerWaalsContact C-N 3.29Å; D504-A506 PolarHBondContact O-N 2.88Å; D504-M507 PolarHBondContact O-N 2.9Å; D504-M507 VanDerWaalsContact OD1-CE 3.3Å; D504-M507 WeakPolarHBondContact OD1-CE 3.48Å; D504-V508 WeakPolarHBondContact O-CG2 3.41Å; D504-V508 PolarHBondContact O-N 3.46Å
505L50Low44.3Very low121 Ų121113.4 Ų113.463%0.63467%0.673SS**Hα-helixtrans-59.5-37.7172.1-77.8169.4000112.5L509L505-L509 WeakPolarHBondContact O-CG 3.46Å; L505-L509 PolarHBondContact O-N 3.31Å
506A55.2Low44.2Very low53 Ų53117.2 Ų117.244%0.43868%0.675SS.*Hα-helixtrans-65.7-47.4174.500000111.3S503 D504 V508 L509 T510S503-A506 WeakPolarHBondContact O-CB 3.47Å; S503-A506 PolarHBondContact O-N 3.47Å; D504-A506 VanDerWaalsContact C-N 3.29Å; D504-A506 PolarHBondContact O-N 2.88Å; A506-V508 VanDerWaalsContact C-N 3.3Å; A506-V508 PolarHBondContact O-N 2.86Å; A506-L509 PolarHBondContact O-N 3.48Å; A506-T510 PolarHBondContact O-N 3.27Å; A506-T510 PolarHBondContact O-OG1 3.2Å
507M57.6Low44.4Very low85 Ų85116.3 Ų116.342%0.41967%0.671SS.*Hα-helixtrans-62.8-30.9178.3-78-153.8-64.700114.5S503 D504S503-M507 PolarHBondContact O-N 3.28Å; S503-M507 VanDerWaalsContact O-N 3.07Å; D504-M507 PolarHBondContact O-N 2.9Å; D504-M507 VanDerWaalsContact OD1-CE 3.3Å; D504-M507 WeakPolarHBondContact OD1-CE 3.48Å
508V57.3Low44Very low97 Ų97114.9 Ų114.959%0.58867%0.665SS**Hα-helixtrans-70.6-46.3174.6170.10000110.5D504 A506 T510 R511D504-V508 WeakPolarHBondContact O-CG2 3.41Å; D504-V508 PolarHBondContact O-N 3.46Å; A506-V508 VanDerWaalsContact C-N 3.3Å; A506-V508 PolarHBondContact O-N 2.86Å; V508-T510 PolarHBondContact O-N 3.09Å; V508-R511 PolarHBondContact O-N 3.15Å
509L50.8Low43.8Very low143 Ų143118.5 Ų118.575%0.74967%0.669SS**Hα-helixtrans-62.9-39179.2-70.5169.7000112.3L505 A506 R511 G512L505-L509 WeakPolarHBondContact O-CG 3.46Å; L505-L509 PolarHBondContact O-N 3.31Å; A506-L509 PolarHBondContact O-N 3.48Å; L509-R511 PolarHBondContact O-N 2.67Å; L509-G512 PolarHBondContact O-N 2.93Å
510T46.8Very low43.2Very low125 Ų125119.6 Ų119.677%0.76768%0.677SS**THydrogen-bonded Turntrans-66.1-17.2178.4-51.60000114A506 V508A506-T510 PolarHBondContact O-N 3.27Å; A506-T510 PolarHBondContact O-OG1 3.2Å; V508-T510 PolarHBondContact O-N 3.09Å
511R49.1Very low42.3Very low191 Ų191119.4 Ų119.472%0.72168%0.678SS**THydrogen-bonded Turntrans-102.1-0.5178.7-68-174.7175.6103.8-5.6114.3V508 L509 L513V508-R511 PolarHBondContact O-N 3.15Å; L509-R511 PolarHBondContact O-N 2.67Å; R511-L513 PolarHBondContact O-N 2.75Å
512G46.9Very low41.5Very low57 Ų57127.2 Ų127.259%0.58869%0.693SS**SBendtrans-82.4-8.1-164.600000117.7L509L509-G512 PolarHBondContact O-N 2.93Å
513L38Very low40.5Very low174 Ų174130 Ų13091%0.91170%0.699SS**  trans-13491.3-174.3-69.4175.6000112.2R511R511-L513 PolarHBondContact O-N 2.75Å
514S29.9Very low39.7Very low104 Ų104132.2 Ų132.273%0.72772%0.715SS**  trans-131.2120.2157.5-174.70000109.5
515V34.1Very low38.6Very low143 Ų143135 Ų13587%0.86773%0.729SS**  trans-123.8115.9162.7155.50000106Q517V515-Q517 PolarHBondContact O-N 3.4Å
516E32.2Very low37.7Very low135 Ų135137.3 Ų137.363%0.63174%0.736SS**  trans-68.4112.2-171.2-17584.117800111.2Q518E516-Q518 HydrophobicContact CG-CG 3.53Å; E516-Q518 WeakPolarHBondContact OE1-CG 3.37Å; E516-Q518 PolarHBondContact OE1-NE2 3.12Å
517Q30.5Very low36.4Very low182 Ų182142.1 Ų142.185%0.8574%0.744SS**  trans-104.682.1168-173.2151.111.500111.2V515V515-Q517 PolarHBondContact O-N 3.4Å
518Q26.5Very low35.3Very low159 Ų159142.3 Ų142.374%0.74375%0.754SS**  trans-66.5154.1173.6-61.6-146.4-27.900112.6E516E516-Q518 HydrophobicContact CG-CG 3.53Å; E516-Q518 WeakPolarHBondContact OE1-CG 3.37Å; E516-Q518 PolarHBondContact OE1-NE2 3.12Å
519K30.9Very low34.4Very low209 Ų209142.3 Ų142.391%0.90976%0.758SS**  trans-141.5101.7-163.3179.8-179.2176.5-179.50111.4
520S25Very low33.5Very low110 Ų110138.3 Ų138.377%0.76975%0.751SS**  trans-160.8105.2174174.40000107
521S30.1Very low32.8Very low105 Ų105143.3 Ų143.373%0.73476%0.758SS**  88.7104.263.468.60000115.3
522R29.7Very low32.2Very low231 Ų231138.1 Ų138.187%0.87275%0.75SS**  trans65.8139149.8-95.4-171.7143.8120.93.1123
523D29.3Very low31.8Very low125 Ų125140.8 Ų140.867%0.66876%0.756SS**  trans53.299.3145.2-66.2-55.2000120.2
524S30.9Very low31.5Very low126 Ų126140.8 Ų140.888%0.88175%0.751SS**  -168.7157.1107-82.30000113.8
525L30Very low31.6Very low160 Ų160140.5 Ų140.584%0.83875%0.745SS**  trans-90.2147.1175.4-65.7157.9000110.7
526Q31.4Very low31.5Very low170 Ų170140.7 Ų140.779%0.79475%0.747SS**  162.8148.1109-85.2-171.428.600115
527Y28.2Very low31.8Very low154 Ų154139.6 Ų139.660%0.60475%0.75SS**  trans68.8169.2157.2-96.8-98.5000121.9
528S34.1Very low32.3Very low88 Ų88136.6 Ų136.662%0.61575%0.746SS**  trans-164.7-167-171.2-49.70000106.6S717S528-S717 WeakPolarHBondContact O-CB 3.41Å
529S37.9Very low32.6Very low98 Ų98134.4 Ų134.469%0.68575%0.748SS**  cis-166.2164.90.7-151.30000109.3
530G32.5Very low32.5Very low58 Ų58130.5 Ų130.560%0.59875%0.746SS**  trans103.3138.1168.600000114.7
531Y31.5Very low33Very low230 Ų230130.4 Ų130.490%0.90275%0.745SS**  86.3137.455.2-85-57.6000112.1
532S37.6Very low33.2Very low82 Ų82134.4 Ų134.457%0.57375%0.752SS**  cis-164.6157.94.8-170.80000113.6
533T36.7Very low33.6Very low113 Ų113129.5 Ų129.569%0.69374%0.743SS**  trans60.7167.8149.5380000118.4T535T533-T535 HydrophobicContact CG2-CG2 4.12Å
534E32.7Very low33.8Very low174 Ų174129.5 Ų129.581%0.81375%0.748SS**  cis-131.4126.519.5-85.1-173.7124.300111.4
535T32.2Very low34.1Very low98 Ų98130.1 Ų130.160%0.60174%0.739SS**  68.8128.981.562.80000118T533T533-T535 HydrophobicContact CG2-CG2 4.12Å
536T30.7Very low34.4Very low147 Ų147128 Ų12890%0.90274%0.735SS**  trans-148.9120133.9-25.20000110.6
537T40.4Very low34.4Very low113 Ų113124.5 Ų124.569%0.69373%0.73SS**  trans-86.7175.1167.7-7.70000109.7
538P40.6Very low34.5Very low119 Ų119126.4 Ų126.477%0.77374%0.744SS**  -138.8161.3107.537.1-26.7000114.3
539S32.3Very low34.2Very low113 Ų113125.9 Ų125.979%0.7975%0.753SS**  trans-135.8142.5158.3-64.60000107.8
540C28.4Very low34Very low127 Ų127126.1 Ų126.186%0.85875%0.754SS**  trans-108.8149.7166.6-54.70000106.9
541S35.9Very low33.7Very low107 Ų107130 Ų13075%0.74876%0.761SS**  cis-156.9129.13.444.40000106.5
542E33.6Very low33.4Very low190 Ų190128.8 Ų128.889%0.88876%0.757SS**  91.6133.893.2-162.398.9109.200111.8
543D39.2Very low33.1Very low128 Ų128131.2 Ų131.268%0.68476%0.763SS**  trans-120.8153.8-176.6-166.8-23.3000109.4
544T32.8Very low32.5Very low125 Ų125130.7 Ų130.777%0.76776%0.763SS**  trans-153.9103.8168.3-59.80000111.6
545I37.2Very low32.3Very low138 Ų138132.5 Ų132.571%0.70876%0.764SS**  trans-86.2145.5167.2-62.8-66.9000110
546P36.7Very low32.3Very low116 Ų116132.8 Ų132.875%0.75377%0.77SS**  trans-140.9106.2133.133.2-17.3000115
547S32.1Very low32.2Very low97 Ų97131.9 Ų131.968%0.67876%0.764SS**  59.3136.6120.7-1400000123.1
548Q30.2Very low32Very low193 Ų193133.8 Ų133.890%0.90277%0.77SS**  trans76147.3153.2-61.1-1063.700119.5
549G27.5Very low31.5Very low77 Ų77132 Ų13279%0.79477%0.773SS**  trans130103.5172.600000113.9
550S32.5Very low31.6Very low103 Ų103133.7 Ų133.772%0.7277%0.773SS**  trans-99.2157.6162.555.80000110.3
551D26.7Very low31.9Very low139 Ų139132.8 Ų132.874%0.74376%0.764SS**  166.7132.7117.9-80.9-10.3000114.3
552Y26.1Very low31.8Very low205 Ų205137 Ų13780%0.80477%0.772SS**  trans63.7150143.7-94.4-106.7000125.4
553D30.5Very low31.7Very low134 Ų134131.5 Ų131.572%0.71777%0.766SS**  trans69.3147.8152.4-78.5-33000121.8
554C23.7Very low31.9Very low101 Ų101131.1 Ų131.168%0.68277%0.771SS**  cis-156.7159.1-20.4-149.60000112.6
555Y28.6Very low31.9Very low212 Ų212133.1 Ų133.183%0.83178%0.777SS**  trans-19.7155.9171.2-89.8-89.8000124
556S32.7Very low31.5Very low105 Ų105130.2 Ų130.273%0.73478%0.781SS**  trans77.9157.5140-74.50000119.5
557V28.6Very low31.2Very low127 Ų127134.6 Ų134.677%0.7779%0.791SS**  cis-146.7170.82.4970000113.1
558N35.3Very low31.2Very low154 Ų154134.7 Ų134.782%0.82480%0.798SS**  trans-53.7157.4177.3-471.3000115.9
559G31.5Very low31.3Very low82 Ų82134.3 Ų134.385%0.84580%0.796SS**  trans-162.8146163.100000111.5
560D34.2Very low31.4Very low148 Ų148140.3 Ų140.379%0.79180%0.801SS**  trans-136.5167.8-170-170.319.5000112
561T34.1Very low31.6Very low107 Ų107142.4 Ų142.466%0.65680%0.804SS**  trans69.7126.616741.50000121.8
562E33.7Very low31.9Very low195 Ų195143.8 Ų143.891%0.91180%0.803SS**  trans42.8129.4143.7-64.2-173.969.800123.5
563G31.9Very low32.2Very low75 Ų75139.1 Ų139.177%0.77380%0.801SS**  trans175136.9163.700000113
564P43.7Very low32.2Very low120 Ų120138.4 Ų138.478%0.77981%0.806SS**  trans-105.6175.2-16840.4-37.1000116.7
565D31.6Very low32.8Very low167 Ų167139.9 Ų139.989%0.89381%0.813SS**  trans67.3119.7165.3-67.3-41.1000119.8
566G29.5Very low33.4Very low77 Ų77136.5 Ų136.579%0.79481%0.807SS**  trans176133.7170.100000113.1
567Q31.3Very low33.5Very low208 Ų208137 Ų13797%0.97281%0.808SS**  trans-74.7146172.3-67-178.1-104.600111.3
568A32.3Very low34.2Very low100 Ų100142.4 Ų142.483%0.82681%0.814SS**  trans-139.6139.1160.900000110.5
569E31Very low34.3Very low185 Ų185144.4 Ų144.486%0.86482%0.819SS**  trans-81.4153.2179.6-62.2161.6122.600111.2
570F30.4Very low34.8Very low202 Ų202144.9 Ų144.989%0.88681%0.809SS**  trans-131.569.7166-119.4-82.1000110.8
571D35.6Very low35.9Very low147 Ų147142.3 Ų142.379%0.78680%0.795SS**  trans-95.8124.4159.4-167.6-13.5000108.5
572K33.3Very low36.7Very low168 Ų168142.1 Ų142.173%0.7379%0.789SS**  trans-157.7108.2173.7-116.3160.4-170.3169.40113.1
573S32.2Very low37.1Very low108 Ų108135.3 Ų135.376%0.75577%0.766SS**  trans77.2102.8143.7-54.90000119.2
574S30.8Very low38Very low118 Ų118137 Ų13783%0.82575%0.754SS**  trans-139.5130.5134.8-172.20000110
575T37.4Very low37.9Very low133 Ų133136.1 Ų136.182%0.81674%0.743SS**PPolyproline II helixtrans-95.2122.8-169.5-58.60000111.4
576I39.7Very low38.4Very low141 Ų141135.3 Ų135.372%0.72373%0.728SS**PPolyproline II helixtrans-97.5134.7179.3-60.5177.4000110.6R578I576-R578 PolarHBondContact O-N 2.72Å
577P35Very low39Very low114 Ų114139.1 Ų139.174%0.7472%0.719SS**PPolyproline II helixtrans-58.4127.1176.1-26.735.6000113.8H579P577-H579 PolarHBondContact O-N 3.4Å
578R42.7Very low39.8Very low241 Ų241138.9 Ų138.991%0.90971%0.709SS**THydrogen-bonded Turntrans-7485176-69.1-177.8176.9177.8-0.4111.2I576I576-R578 PolarHBondContact O-N 2.72Å
579H39.1Very low40.1Very low197 Ų197141.1 Ų141.191%0.91270%0.704SS**THydrogen-bonded Turntrans-171.26.5142.1-106-64.6000116.5P577P577-H579 PolarHBondContact O-N 3.4Å
580S40.5Very low40.8Very low91 Ų91138.5 Ų138.564%0.63670%0.695SS**  trans-95119176.3-1760000113I582S580-I582 VanDerWaalsContact C-N 3.26Å; S580-I582 PolarHBondContact O-N 3.46Å
581N57.6Low41.2Very low94 Ų94136.8 Ų136.850%0.50369%0.689SS.*  trans-8559.6-179.8-164.5-15.7000112.8A583 Q584N581-A583 PolarHBondContact O-N 3.45Å; N581-Q584 PolarHBondContact ND2-NE2 3.28Å; N581-Q584 VanDerWaalsContact ND2-NE2 3.18Å; N581-Q584 PolarHBondContact ND2-OE1 2.98Å; N581-Q584 VanDerWaalsContact OD1-CG 3.32Å; N581-Q584 WeakPolarHBondContact OD1-CG 3.4Å; N581-Q584 PolarHBondContact OD1-N 2.89Å
582I50.4Low41.2Very low103 Ų103135 Ų13553%0.52868%0.684SS.*Hα-helixtrans-65.4-30.3179.1-138.174.8000111.9S580 Q584 N585 Y586S580-I582 VanDerWaalsContact C-N 3.26Å; S580-I582 PolarHBondContact O-N 3.46Å; I582-Q584 VanDerWaalsContact C-N 3.31Å; I582-Q584 PolarHBondContact O-N 3.34Å; I582-N585 PolarHBondContact O-N 3.32Å; I582-Y586 HydrophobicContact CG1-CD2 4.4Å; I582-Y586 HydrophobicContact CG1-CE2 4Å; I582-Y586 WeakPolarHBondContact O-CD2 3.44Å; I582-Y586 PolarHBondContact O-N 3.4Å
583A43.7Very low41.2Very low53 Ų53136.6 Ų136.644%0.43869%0.691SS.*Hα-helixtrans-74.6-10.1-171.100000115.4N581 R587N581-A583 PolarHBondContact O-N 3.45Å; A583-R587 PolarHBondContact O-NE 2.88Å; A583-R587 PolarHBondContact O-NH2 3.08Å
584Q49.9Very low41.4Very low109 Ų109142.7 Ų142.751%0.50970%0.697SS.*Hα-helixtrans-87.9-33.5170.1-76.7-179.79.600112.6N581 I582 R588N581-Q584 PolarHBondContact ND2-NE2 3.28Å; N581-Q584 VanDerWaalsContact ND2-NE2 3.18Å; N581-Q584 PolarHBondContact ND2-OE1 2.98Å; N581-Q584 VanDerWaalsContact OD1-CG 3.32Å; N581-Q584 WeakPolarHBondContact OD1-CG 3.4Å; N581-Q584 PolarHBondContact OD1-N 2.89Å; I582-Q584 VanDerWaalsContact C-N 3.31Å; I582-Q584 PolarHBondContact O-N 3.34Å; Q584-R588 PolarHBondContact O-N 2.94Å
585N41.9Very low42.1Very low103 Ų103143.1 Ų143.155%0.55170%0.697SS**Hα-helixtrans-69-45.7179-85.2-16000112I582 R587 R588 M589I582-N585 PolarHBondContact O-N 3.32Å; N585-R587 VanDerWaalsContact C-N 3.34Å; N585-R587 PolarHBondContact O-N 3.47Å; N585-R588 PolarHBondContact O-N 3.28Å; N585-M589 PolarHBondContact O-N 3.44Å
586Y42.2Very low41.7Very low149 Ų149141.6 Ų141.658%0.58470%0.698SS**Hα-helixtrans-61.1-39.6175.3-77.5-74.4000112.9I582 R588 M589 I590I582-Y586 HydrophobicContact CG1-CD2 4.4Å; I582-Y586 HydrophobicContact CG1-CE2 4Å; I582-Y586 WeakPolarHBondContact O-CD2 3.44Å; I582-Y586 PolarHBondContact O-N 3.4Å; Y586-R588 VanDerWaalsContact C-N 3.32Å; Y586-R588 PolarHBondContact O-N 3Å; Y586-M589 PolarHBondContact O-N 3.14Å; Y586-I590 PolarHBondContact O-N 2.83Å
587R42.1Very low41.3Very low158 Ų158140.9 Ų140.960%0.59671%0.705SS**Hα-helixtrans-61.3-37.4176.7-100.3-176.4-72.7-177.5-8.4113.2A583 N585 M589A583-R587 PolarHBondContact O-NE 2.88Å; A583-R587 PolarHBondContact O-NH2 3.08Å; N585-R587 VanDerWaalsContact C-N 3.34Å; N585-R587 PolarHBondContact O-N 3.47Å; R587-M589 VanDerWaalsContact C-N 3.3Å; R587-M589 PolarHBondContact O-N 3.39Å
588R47.4Very low41.1Very low202 Ų202142.1 Ų142.176%0.76271%0.711SS**Hα-helixtrans-72.5-22.9179.8-143.3-168-52.5-157.57113.3Q584 N585 Y586Q584-R588 PolarHBondContact O-N 2.94Å; N585-R588 PolarHBondContact O-N 3.28Å; Y586-R588 VanDerWaalsContact C-N 3.32Å; Y586-R588 PolarHBondContact O-N 3Å
589M39.7Very low40.6Very low148 Ų148135.4 Ų135.473%0.72971%0.707SS**Hα-helixtrans-85.5-30.4-175.8-167.5178.3-69.900113.5N585 Y586 R587N585-M589 PolarHBondContact O-N 3.44Å; Y586-M589 PolarHBondContact O-N 3.14Å; R587-M589 VanDerWaalsContact C-N 3.3Å; R587-M589 PolarHBondContact O-N 3.39Å
590I44.1Very low40.2Very low130 Ų130129.6 Ų129.667%0.66770%0.7SS**Hα-helixtrans-92.1-19.7-168.8-62.9172.3000113Y586 T592Y586-I590 PolarHBondContact O-N 2.83Å; I590-T592 PolarHBondContact O-N 2.7Å; I590-T592 VanDerWaalsContact O-N 3.15Å
591Q38.8Very low39.7Very low166 Ų166133.7 Ų133.778%0.77671%0.714SS**  trans-8948.2-173.3-67.7-167.2-24.700115.4
592T35.9Very low39Very low108 Ų108135 Ų13566%0.66373%0.728SS**  trans-135.5128.7163.562.60000112.6I590I590-T592 PolarHBondContact O-N 2.7Å; I590-T592 VanDerWaalsContact O-N 3.15Å
593K33.5Very low38Very low203 Ų203136.3 Ų136.388%0.88375%0.746SS**SBendtrans72.4128.2-168-52160.5-174.1169.70112.2
594R36.3Very low37.3Very low235 Ų235137 Ų13789%0.88776%0.759SS**  cis-143.2164.40.7-114.3-175.4171.1148.1-4.5109.2
595P47Very low36.3Very low127 Ų127138.4 Ų138.483%0.82577%0.774SS**  trans-79.7157.2-178.534.4-34.8000112.4
596A28.8Very low35.8Very low101 Ų101141.7 Ų141.784%0.83579%0.791SS**  trans-138.9139.3168.700000109.9
597S30.8Very low35Very low126 Ų126137.6 Ų137.688%0.88179%0.794SS**  trans-73.3150.6172.3-59.10000110.9
598T31.4Very low35.2Very low141 Ų141136.5 Ų136.587%0.86581%0.807SS**  trans-79.6139.2173.3174.80000111.8
599A31.6Very low34.2Very low100 Ų100130.3 Ų130.383%0.82681%0.807SS**  trans-148.3113.1162.400000108.2
600G29.7Very low33.8Very low74 Ų74129.4 Ų129.476%0.76381%0.809SS**PPolyproline II helixtrans-92.9158.6177.800000112.7
601L30.1Very low33.1Very low177 Ų177132.4 Ų132.493%0.92782%0.82SS**PPolyproline II helixtrans-93.3165.3-175.4-76.1170.1000113.1
602P44.3Very low32.7Very low123 Ų123127.8 Ų127.880%0.79982%0.817SS**PPolyproline II helixtrans-103172-158.940.1-37.1000115.1
603S28.5Very low32.4Very low129 Ų129130.6 Ų130.690%0.90283%0.826SS**  trans-160.5158.6157.3-167.20000111.8
604G29.6Very low32.9Very low68 Ų68127.2 Ų127.270%0.70183%0.825SS**  trans96.463.5151.600000120.3
605V29Very low32.5Very low138 Ų138119.8 Ų119.884%0.83682%0.822SS**  trans13.3124.2142.7179.90000119.4
606L31.4Very low32.1Very low173 Ų173122.7 Ų122.791%0.90682%0.824SS**  -168.5148.5122.1-101.5175.7000111.4
607G25.8Very low33Very low63 Ų63123.4 Ų123.465%0.64982%0.821SS**  trans-108.1-162.1170.600000111.9
608P44.7Very low33.1Very low135 Ų135121.2 Ų121.288%0.87782%0.818SS**  cis-138.3172.613.742.1-24.9000117.4
609G27.9Very low33.2Very low72 Ų72118.2 Ų118.274%0.74282%0.815SS**  trans99.2154.9159.700000117
610V29.6Very low33.4Very low129 Ų129119 Ų11978%0.78282%0.821SS**  cis-157.9145.1-5.5131.50000109.9
611H31.3Very low33.6Very low192 Ų192119.3 Ų119.389%0.88982%0.824SS**  trans52.3139.8166.9-72.8-52000122.8
612G28.9Very low33.7Very low70 Ų70115.1 Ų115.172%0.72282%0.824SS**  trans131.477.4140.300000120.2
613I30.8Very low33.1Very low167 Ų167113 Ų11386%0.85682%0.824SS**  trans-147.9135.7170.9-68.3-62.7000105.8
614P42.5Very low33.2Very low131 Ų131111 Ų11185%0.85182%0.824SS**  -147.1176.857.340.6-20.4000118.2
615G28.8Very low33.3Very low80 Ų80111.4 Ų111.483%0.82583%0.828SS**  trans-174.5123.1167.700000115.2
616Q38.1Very low33.6Very low187 Ų187111.2 Ų111.287%0.87483%0.833SS**  trans-105.9-179.9171.1-110.8-167.935.100109.7
617P48.8Very low33.5Very low117 Ų117106.2 Ų106.276%0.7682%0.824SS**  cis-124.1-154.6-30.835.6-16.6000110
618G33.3Very low34.2Very low80 Ų80110 Ų11083%0.82583%0.834SS**  trans-116.2170176.200000114.8
619G32.8Very low34.3Very low78 Ų78109.7 Ų109.780%0.80483%0.832SS**  trans165.6112.3171.600000116.5
620A36.7Very low34.7Very low115 Ų115109.3 Ų109.395%0.9583%0.829SS**  trans22.3139.1155.200000123.4
621G31.9Very low34.8Very low81 Ų81109.6 Ų109.684%0.83583%0.831SS**  trans158.5136.4157.500000115.2
622G32.6Very low35Very low89 Ų89104.7 Ų104.792%0.91882%0.823SS**  trans-99-174.3159.700000110.6
623G32.9Very low35.1Very low78 Ų78107.2 Ų107.280%0.80483%0.825SS**  cis166.4145.8-0.800000110.5
624G30.1Very low35.2Very low88 Ų88106.5 Ų106.591%0.90782%0.821SS**  trans81.5167.2-169.200000113.2
625G32.3Very low34.7Very low76 Ų76110.7 Ų110.778%0.78482%0.82SS**  cis145.2128.7-400000111.8
626S33.9Very low35.1Very low135 Ų135118 Ų11894%0.94482%0.823SS**  trans93.6144-167.9-161.70000113.8
627G29.6Very low35.5Very low68 Ų68115.7 Ų115.770%0.70182%0.821SS**  cis-165.5-1772.800000114.7
628T41.1Very low35Very low141 Ų141116 Ų11687%0.86582%0.823SS**  trans-75.8170.9-17645.80000115.1
629P47.2Very low35.1Very low130 Ų130117.5 Ų117.584%0.84482%0.821SS**  cis-129.3-153.718.146.8-29.5000113.5
630G35.6Very low35Very low64 Ų64120.6 Ų120.666%0.6683%0.825SS**  cis179.3-168.7600000114.5
631T32.4Very low35.2Very low135 Ų135124.6 Ų124.683%0.82882%0.821SS**  trans43.6100.2160.9-44.70000118.5
632A35Very low35.7Very low88 Ų88126.7 Ų126.773%0.72782%0.819SS**  65.614583.300000115.1
633T30.8Very low35.6Very low123 Ų123125.6 Ų125.676%0.75581%0.808SS**  cis-165.2170.930.7-35.10000112.6
634I32.2Very low35.4Very low153 Ų153128.6 Ų128.679%0.78581%0.811SS**  trans76.6127163.7-53.9177.2000116.3
635R32.8Very low35.4Very low218 Ų218135 Ų13582%0.82381%0.807SS**  cis101.396.89.7-166.9-167.4-171.5-169.55.8116.5
636R38.2Very low35.5Very low235 Ų235142.6 Ų142.689%0.88781%0.813SS**  trans166147.9138.3-93.7164.3-169.2-1533.2112.7
637T44.6Very low35.3Very low137 Ų137141.7 Ų141.784%0.8480%0.802SS**  trans-84.6156.3165.946.30000111.5
638P38.8Very low35.5Very low124 Ų124146 Ų14681%0.80581%0.808SS**  trans-126.1143.9146.135.9-26.3000112.8
639S35Very low35.1Very low112 Ų112144.8 Ų144.878%0.78381%0.805SS**  trans-89150.5162.3172.50000109.4
640T32.4Very low34.7Very low142 Ų142144.1 Ų144.187%0.87180%0.803SS**  trans-171.9152.7138.412.90000112.7
641K39.3Very low34.9Very low199 Ų199145.9 Ų145.987%0.86581%0.811SS**  trans-156.1129.8172-172.1-179.7-173.3177.30109.8
642P42.2Very low35.8Very low125 Ų125142.2 Ų142.281%0.81280%0.801SS**  trans-129.9144.7132.730.2-16.5000109.9
643G31.1Very low36.4Very low66 Ų66144.4 Ų144.468%0.6881%0.807SS**  102.9133.176.700000107.9
644V28.6Very low37.1Very low142 Ų142145.7 Ų145.786%0.86181%0.808SS**  cis-149.6133.633.3166.30000112.7
645R30.3Very low37.4Very low222 Ų222144 Ų14484%0.83881%0.807SS**  trans18.8119.8145-168.3-177.3-169-139.85.8120.4
646R34.1Very low38Very low236 Ų236141.5 Ų141.589%0.89181%0.808SS**  -159.5148.3115.6-119.6-171.8-58.9128.21.3115.6
647T29.6Very low38.3Very low116 Ų116141.2 Ų141.271%0.71281%0.807SS**  trans-147.1157.6176.945.60000106.6
648L33.5Very low38.3Very low159 Ų159140 Ų14083%0.83280%0.802SS**  cis-151.9163.8-6.4-127.1173.1000107.4
649S32.7Very low38.6Very low114 Ų114140.2 Ų140.280%0.79780%0.803SS**  trans-159.7153.2160.6-144.10000113.7
650S39.3Very low39.2Very low117 Ų117142.6 Ų142.682%0.81881%0.805SS**  trans-96.1142.3-179.548.90000112.4
651A39.5Very low39.7Very low100 Ų100141.6 Ų141.683%0.82680%0.799SS**  trans-145.3136.8164.500000109.1
652G52.5Low39.8Very low59 Ų59138 Ų13861%0.60880%0.796SS**  trans-80179.7178.100000113.4
653P46.1Very low39.5Very low133 Ų133138.1 Ų138.186%0.86479%0.794SS**PPolyproline II helixtrans-61.5139.5176.326.4-34.2000111.9
654I46.5Very low39.7Very low151 Ų151144.6 Ų144.677%0.77480%0.804SS**PPolyproline II helixtrans-74.4132.5-176.4-59.6170.7000110I656I654-I656 PolarHBondContact O-N 2.96Å
655P39.3Very low40.1Very low118 Ų118143.5 Ų143.577%0.76680%0.797SS**PPolyproline II helixtrans-63.6122.2175.2-22.934000112.5
656I43.7Very low40.3Very low164 Ų164139.1 Ų139.184%0.84180%0.797SS**PPolyproline II helixtrans-78.7123.9173.2-59.3175.3000108.6I654I654-I656 PolarHBondContact O-N 2.96Å
657R46.1Very low40.2Very low229 Ų229134.2 Ų134.286%0.86479%0.794SS**PPolyproline II helixtrans-80142.4170.9-66.6-170.6-175.6113.5-1.9110.7
658P43.9Very low40.3Very low113 Ų113134.9 Ų134.973%0.73480%0.797SS**PPolyproline II helixtrans-67.4153.9168.530.2-34.7000111.2
659P44.5Very low40.4Very low128 Ų128132.6 Ų132.683%0.83179%0.792SS**PPolyproline II helixtrans-71.5144.8-179.829.6-35000112.4
660I47.6Very low40.3Very low161 Ų161131.8 Ų131.883%0.82679%0.793SS**PPolyproline II helixtrans-89.2133.1178.9-63.2170.3000109.7
661V42.3Very low39.8Very low121 Ų121133.5 Ų133.573%0.73379%0.793SS**PPolyproline II helixtrans-85.7125.3173.5-179.60000109.5V663V661-V663 PolarHBondContact O-N 2.86Å
662P41.7Very low39.4Very low124 Ų124133.9 Ų133.981%0.80579%0.789SS**PPolyproline II helixtrans-70.1120.5177.3-19.633000112.4
663V37.6Very low38.4Very low127 Ų127140 Ų14077%0.7780%0.801SS**PPolyproline II helixtrans-93.1135.4168.7178.30000108.9V661V661-V663 PolarHBondContact O-N 2.86Å
664K35.3Very low37.7Very low203 Ų203139.3 Ų139.388%0.88380%0.8SS**PPolyproline II helixtrans-89.3121.8171.8-74.7-174.8174.9-176.60110.4
665T35.6Very low37.6Very low119 Ų119138.1 Ų138.173%0.7380%0.802SS**PPolyproline II helixtrans-94.8147.6165.347.60000110.5
666P35.7Very low37.2Very low129 Ų129136 Ų13684%0.83880%0.801SS**PPolyproline II helixtrans-78.9155.6177.833.3-35.3000112.2
667T31.9Very low36.6Very low133 Ų133133.4 Ų133.482%0.81681%0.805SS**  trans-124.8133.5175.2-56.80000109.7
668V31Very low35.8Very low130 Ų130126.4 Ų126.479%0.78880%0.804SS**  trans-96.2131.8172.4179.40000108.7
669P35.5Very low35.1Very low111 Ų111123.8 Ų123.872%0.72180%0.798SS**  trans-72.1143.9171.7-14.329.7000111.6
670A30.5Very low34.4Very low98 Ų98129.1 Ų129.181%0.8180%0.803SS**  trans-139.3100.1169.700000109
671D28.9Very low33.6Very low153 Ų153126.5 Ų126.582%0.81881%0.805SS**  trans-110128.3173.4-71.4-59.2000109.2
672S32Very low32.9Very low108 Ų108124.5 Ų124.576%0.75581%0.809SS**  trans-135.9105-177.862.50000111.2
673H31.2Very low32.2Very low186 Ų186122.8 Ų122.886%0.86181%0.814SS**  trans-126.5100.8171.9-81.8-68000110.9
674S31.5Very low31.7Very low119 Ų119120 Ų12083%0.83281%0.81SS**  trans-82.8143.3167-48.60000110.9
675P43.9Very low31.5Very low126 Ų126119.9 Ų119.982%0.81881%0.813SS**  trans-102.2150.9138.933.6-27.9000110.1
676G30.1Very low31.3Very low73 Ų73118.6 Ų118.675%0.75382%0.815SS**  trans-106.8-155.2-176.400000114.3
677A32.2Very low31.1Very low111 Ų111116.5 Ų116.592%0.91782%0.817SS**  trans71.8115.9-170.900000114.1
678G29.5Very low30.9Very low82 Ų82113.2 Ų113.285%0.84581%0.809SS**  trans-90.4164.2-17800000113.5
679G27.7Very low31.2Very low58 Ų58113.8 Ų113.860%0.59881%0.812SS**  trans-153.890.3-177.700000114.6
680Y30Very low31.8Very low239 Ų239113.9 Ų113.994%0.93781%0.813SS**  trans65.7171.4153-45-71.6000117.7
681A31.4Very low31.8Very low106 Ų106114.8 Ų114.888%0.87681%0.808SS**  trans-148156.4-166.100000112.9
682G27.8Very low31.8Very low79 Ų79117.5 Ų117.581%0.81481%0.807SS**  trans110108.6147.100000118.1
683G26.8Very low31.6Very low88 Ų88118.9 Ų118.991%0.90781%0.811SS**  trans79.2152.5158.500000116.9
684G27.2Very low31.2Very low68 Ų68113 Ų11370%0.70180%0.8SS**  cis162.6141.8-9.900000113
685Q30.7Very low31.3Very low202 Ų202112 Ų11294%0.94479%0.793SS**  trans66.6150.4173.3-66.8174.9-93.600116.7
686A32.1Very low30.5Very low92 Ų92115 Ų11576%0.7680%0.796SS**  cis-164.3158.4-17.600000112.6
687G30.2Very low30.3Very low85 Ų85120 Ų12088%0.87680%0.8SS**  trans86.6140.8161.700000116.6
688G29.7Very low30.1Very low64 Ų64119.9 Ų119.966%0.6679%0.791SS**  cis-170.4136.5-9.800000110
689V36.2Very low29.8Very low141 Ų141121.5 Ų121.586%0.85578%0.784SS**  70.5134.993.2174.10000113.1
690P48.7Very low29.7Very low114 Ų114127.8 Ų127.874%0.7480%0.795SS**  cis-112.1169.313.312.412.9000115
691V30.9Very low29.5Very low117 Ų117125 Ų12571%0.70979%0.789SS**  cis82.5135.337.1132.60000113.5
692R28Very low29.3Very low210 Ų210126.3 Ų126.379%0.79279%0.786SS**  cis-143.4164.23.5-106.2-175.8-122.8-99.31.7108.7
693V27.6Very low29.3Very low137 Ų137126.1 Ų126.183%0.8378%0.784SS**  72.1126.253.2-172.90000116.2
694G23.6Very low29.3Very low61 Ų61126.4 Ų126.463%0.62978%0.778SS**  trans94132.7164.600000114.5
695S33.6Very low29.4Very low99 Ų99131.9 Ų131.969%0.69279%0.785SS**  cis89.8139.326.2790000115.1
696E26.7Very low29.4Very low188 Ų188130.3 Ų130.388%0.87978%0.783SS**  trans76.5146.2-176.494.2-139.8148.900114.6
697E25.6Very low29.3Very low179 Ų179129.7 Ų129.784%0.83679%0.786SS**  cis-146.8-154.91.865.5179.7152.700114.1
698C27.4Very low29.1Very low108 Ų108135.6 Ų135.673%0.7379%0.791SS**  trans-76.6-170.8-173.6-51.40000113.9
699V24.2Very low29Very low116 Ų116136.4 Ų136.470%0.70380%0.799SS**  cis-164.9172.326.9-132.70000113.4
700F24.4Very low28.6Very low190 Ų190133.1 Ų133.183%0.83379%0.793SS**  trans58.7103.7151.3-68.2-57.2000125.1
701F26.4Very low27.7Very low182 Ų182135.2 Ų135.280%0.79880%0.798SS**  39.7129.1110.5-111-112.6000124.9
702T27.5Very low27.6Very low132 Ų132136.1 Ų136.181%0.8180%0.798SS**  trans73.7145.314239.50000124.8
703G27.4Very low27.6Very low75 Ų75135.7 Ų135.777%0.77380%0.798SS**  trans126.8112.5170.900000111.7
704A28.1Very low27.6Very low95 Ų95135.1 Ų135.179%0.78580%0.795SS**  cis10495.819.800000115
705E29.1Very low27.9Very low183 Ų183141.4 Ų141.486%0.85581%0.805SS**  trans59.4149.5149.2-53.7-166.3124.800123.5
706D30Very low27.6Very low168 Ų168141.1 Ų141.190%0.89881%0.808SS**  trans61.7145.7159.6-71.8-27.3000124
707G29.3Very low27.8Very low80 Ų80133.2 Ų133.283%0.82577%0.774SS**  trans162.5108.6171.100000115.2
708Q27.3Very low28Very low209 Ų209130 Ų13098%0.97777%0.768SS**  trans-93.5157.5-174.5-55.4158.9-91.700114.5
709G27.7Very low28.1Very low80 Ų80133.6 Ų133.683%0.82577%0.772SS**  trans136.9137.3136.700000120.4
710G27.3Very low28.7Very low72 Ų72139.4 Ų139.474%0.74278%0.781SS**  trans88125.8169.200000114.6
711L29.5Very low28.8Very low158 Ų158138.4 Ų138.483%0.82778%0.783SS**  cis64.6129.631.9-59.3174.1000113.4
712D28.9Very low29.1Very low136 Ų136134.2 Ų134.273%0.72778%0.777SS**  cis-147.617932.6-119.7-47.2000117.9
713Y28.9Very low29.2Very low202 Ų202135.8 Ų135.879%0.79278%0.779SS**  trans-46.8171.4172.9-90.3-112.1000116.8
714V27.7Very low30.1Very low125 Ų125137.4 Ų137.476%0.75878%0.776SS**  cis-159155.133.7-156.90000112.6
715K29.1Very low30.1Very low192 Ų192140.7 Ų140.784%0.83578%0.781SS**  118.699.7126.5-157.3168.5-176.2177.60122.1
716A27.7Very low30.2Very low93 Ų93137.4 Ų137.477%0.76977%0.773SS**  trans70126.1135.200000123.2
717S31.1Very low30.3Very low22 Ų22133.6 Ų133.615%0.15477%0.765CS.*  trans-84.1167.9172.1178.50000113.6S528S528-S717 WeakPolarHBondContact O-CB 3.41Å
718P29.5Very low30.3Very low111 Ų111141.7 Ų141.772%0.72177%0.771SS**  -138.1-173.9112.139.7-28.8000115.5
719K28.3Very low30.3Very low184 Ų184135.1 Ų135.180%0.876%0.759SS**  trans-77.9159.2-162.1-63.6171.4179.3172.20116.4
720R38.2Very low30.4Very low239 Ų239137.6 Ų137.690%0.90276%0.764SS**  trans-23.5137148.9-113.7-177.6176.9-114.14.4114.7
721L25.6Very low30.4Very low168 Ų168137.4 Ų137.488%0.8876%0.762SS**  trans-145.1156144.6-107.4177.8000111.2
722S33.2Very low30.3Very low95 Ų95135.2 Ų135.266%0.66477%0.767SS**  trans-114.7143.2177.550.60000110.2
723L30.4Very low30.4Very low164 Ų164133.3 Ų133.386%0.85977%0.77SS**  trans-147.3160.1178.4-74.5177.2000110.8
724P46.2Very low30.3Very low109 Ų109131.8 Ų131.871%0.70877%0.774SS**  cis-125.6169-18.535.9-20.7000113.6
725N27.7Very low30.4Very low165 Ų165133.6 Ų133.688%0.88277%0.774SS**  trans-137.6147.6152.9-168.813.6000107.7
726T30.9Very low30.4Very low114 Ų114130.4 Ų130.470%0.69977%0.771SS**  trans-127.7119.1-157.549.30000115.5
727A31.6Very low30.4Very low87 Ų87136.1 Ų136.172%0.71977%0.774SS**  trans59.5153.1158.800000118.4
728W30.1Very low30.3Very low250 Ų250138.7 Ų138.795%0.94780%0.797SS**  cis-117.5165.2-13.6-84.2-66.1000107.4
729G27Very low30.2Very low71 Ų71141.3 Ų141.373%0.73280%0.799SS**  cis82.6123.740.400000110.4
730S29.4Very low30.2Very low133 Ų133139.2 Ų139.293%0.9379%0.792SS**  cis-165.1166.8-3.8-174.10000109
731G26.8Very low29.7Very low68 Ų68134.7 Ų134.770%0.70178%0.781SS**  trans133.6104.3156.100000118.9
732A29Very low29.8Very low112 Ų112131.4 Ų131.493%0.92677%0.771SS**  trans41.2143.514500000123
733A30.7Very low29.5Very low95 Ų95135.2 Ų135.279%0.78578%0.78SS**  trans-110.5147.7162.900000110.5
734L26.9Very low29.5Very low170 Ų170133.9 Ų133.989%0.8978%0.779SS**  trans-152.4169159.9-153.160.3000111.7
735E29.3Very low28.8Very low163 Ų163134.6 Ų134.676%0.76279%0.786SS**  trans-87.3152.2-157-60.4178.411600116.5
736V28.6Very low28.8Very low125 Ų125130 Ų13076%0.75878%0.778SS**  78151.3128.9165.60000121.7
737Y27.9Very low28.9Very low214 Ų214131 Ų13184%0.83979%0.79SS**  trans80.3104.1167-110.5-110.9000121.7
738A29.2Very low29.1Very low76 Ų76131.5 Ų131.563%0.62879%0.794SS**  37.7116.7127.900000122.9
739Q28.1Very low29.6Very low166 Ų166124.8 Ų124.878%0.77679%0.791SS**  81.5121.5116.5-172.6160-17.600122
740Q28.2Very low30.3Very low140 Ų140123.8 Ų123.865%0.65478%0.782SS**  trans93.8143.8148.8-113.6165.8-77.900122.1
741H27.5Very low31.1Very low144 Ų144121.3 Ų121.367%0.66776%0.764SS**  trans74.193.5162.9-70.4-65.7000122.1
742C26.4Very low32Very low98 Ų98125.1 Ų125.166%0.66276%0.764SS**  73.5110.6112.1-730000122.3
743M27.2Very low32.8Very low175 Ų175126.5 Ų126.586%0.86275%0.751SS**  115.1150.5129.7-57.2-101.5-17200118.9
744V30.4Very low33.6Very low136 Ų136128.6 Ų128.682%0.82475%0.745SS**  trans80.894.4165.1-167.60000119.4
745S31.7Very low34.6Very low124 Ų124127.1 Ų127.187%0.86773%0.733SS**  trans52.1117.8132.4-175.30000122.4
746G28.5Very low35.7Very low69 Ų69124.9 Ų124.971%0.71172%0.724SS**  trans161.1111.9148.600000116.6
747S33.2Very low37Very low135 Ų135122.5 Ų122.594%0.94471%0.706SS**  trans25.1102.5160-610000120.3
748A35.2Very low38.6Very low97 Ų97114.2 Ų114.280%0.80268%0.682SS**  trans-135.5101155.900000109.6
749A40.7Very low39.9Very low109 Ų109113.4 Ų113.490%0.90168%0.675SS**  trans-152.750.5-176.100000111.6
750G41Very low41.7Very low51 Ų51110.8 Ų110.853%0.52667%0.667SS.*SBendtrans-157-14.3-179.100000115.9
751S45.7Very low43.3Very low81 Ų81111.2 Ų111.257%0.56666%0.663SS**Hα-helixtrans-78.4-38.7-179.344.90000113.9E753 Q755S751-E753 PolarHBondContact O-N 3.15Å; S751-Q755 VanDerWaalsContact O-CB 3.29Å; S751-Q755 WeakPolarHBondContact O-CB 3.35Å; S751-Q755 PolarHBondContact O-N 2.95Å
752E47.3Very low44.9Very low148 Ų148111.3 Ų111.369%0.69266%0.663SS**Hα-helixtrans-64.5-37.4-176.5-77-173.9116.100113.2Q755 M756E752-Q755 PolarHBondContact O-N 3.31Å; E752-M756 WeakPolarHBondContact O-CB 3.48Å; E752-M756 WeakPolarHBondContact O-CG 3.41Å; E752-M756 PolarHBondContact O-N 3.11Å
753E45.9Very low47.2Very low141 Ų141108.4 Ų108.466%0.65964%0.643SS**Hα-helixtrans-67.2-46.9-179.5-173170.8-174.800111.2S751 Q755 M756 I757S751-E753 PolarHBondContact O-N 3.15Å; E753-Q755 VanDerWaalsContact C-N 3.33Å; E753-Q755 PolarHBondContact O-N 3.41Å; E753-M756 PolarHBondContact O-N 2.76Å; E753-I757 HydrophobicContact CG-CD1 3.98Å; E753-I757 VanDerWaalsContact O-CG1 3.23Å; E753-I757 WeakPolarHBondContact O-CG1 3.43Å; E753-I757 PolarHBondContact O-N 2.83Å
754E45.8Very low49Very low139 Ų139105.1 Ų105.165%0.6563%0.629SS**Hα-helixtrans-65.6-37177.2-172.9157.9-140.400112I757 A758E754-I757 PolarHBondContact O-N 3.45Å; E754-A758 WeakPolarHBondContact O-CB 3.4Å; E754-A758 PolarHBondContact O-N 3.21Å
755Q48.7Very low51.1Low138 Ų138103.5 Ų103.565%0.64562%0.619SS**Hα-helixtrans-67.8-37.4175.3-162.5166.119.800112.3S751 E752 E753 A758 A759S751-Q755 VanDerWaalsContact O-CB 3.29Å; S751-Q755 WeakPolarHBondContact O-CB 3.35Å; S751-Q755 PolarHBondContact O-N 2.95Å; E752-Q755 PolarHBondContact O-N 3.31Å; E753-Q755 VanDerWaalsContact C-N 3.33Å; E753-Q755 PolarHBondContact O-N 3.41Å; Q755-A758 PolarHBondContact O-N 2.94Å; Q755-A759 WeakPolarHBondContact O-CB 3.42Å; Q755-A759 PolarHBondContact O-N 2.64Å
756M51.7Low52.9Low116 Ų116103.8 Ų103.857%0.57161%0.607SS**Hα-helixtrans-67.3-37.5171.2-80.1-167.1-72.900112.7E752 E753 A759 N760E752-M756 WeakPolarHBondContact O-CB 3.48Å; E752-M756 WeakPolarHBondContact O-CG 3.41Å; E752-M756 PolarHBondContact O-N 3.11Å; E753-M756 PolarHBondContact O-N 2.76Å; M756-A759 PolarHBondContact O-N 3.08Å; M756-N760 WeakPolarHBondContact O-CB 3.24Å; M756-N760 PolarHBondContact O-N 3.05Å; M756-N760 PolarHBondContact O-ND2 3.43Å
757I57.4Low54.8Low75 Ų75106.3 Ų106.339%0.38560%0.598SS.*Hα-helixtrans-70.1-36176.4-62.5163.1000110.4E753 E754 R761E753-I757 HydrophobicContact CG-CD1 3.98Å; E753-I757 VanDerWaalsContact O-CG1 3.23Å; E753-I757 WeakPolarHBondContact O-CG1 3.43Å; E753-I757 PolarHBondContact O-N 2.83Å; E754-I757 PolarHBondContact O-N 3.45Å; I757-R761 WeakPolarHBondContact O-CG 3.42Å; I757-R761 PolarHBondContact O-N 3.08Å
758A59.9Low56.6Low40 Ų40104.2 Ų104.233%0.33158%0.576SS.*Hα-helixtrans-62.7-47.2170.100000112.3E754 Q755 N760 R761 H762E754-A758 WeakPolarHBondContact O-CB 3.4Å; E754-A758 PolarHBondContact O-N 3.21Å; Q755-A758 PolarHBondContact O-N 2.94Å; A758-N760 PolarHBondContact O-N 3.15Å; A758-R761 PolarHBondContact O-N 3.36Å; A758-H762 PolarHBondContact O-N 3.48Å
759A57.1Low58.2Low59 Ų59101.5 Ų101.549%0.48856%0.557SS.*Hα-helixtrans-61.5-41.7177.300000112.6Q755 M756 H762 S763Q755-A759 WeakPolarHBondContact O-CB 3.42Å; Q755-A759 PolarHBondContact O-N 2.64Å; M756-A759 PolarHBondContact O-N 3.08Å; A759-H762 PolarHBondContact O-N 3.31Å; A759-S763 PolarHBondContact O-N 2.86Å
760N65.8Low59.7Low112 Ų112102.4 Ų102.460%0.59954%0.543SS*.Hα-helixtrans-65.1-37.9174.7-83.5-78000112.5M756 A758 L764M756-N760 WeakPolarHBondContact O-CB 3.24Å; M756-N760 PolarHBondContact O-N 3.05Å; M756-N760 PolarHBondContact O-ND2 3.43Å; A758-N760 PolarHBondContact O-N 3.15Å; N760-L764 WeakPolarHBondContact O-CB 3.41Å; N760-L764 PolarHBondContact O-N 3.41Å
761R61.6Low60.8Low149 Ų149105.9 Ų105.956%0.56255%0.548SS*.Hα-helixtrans-62.9-42.1173.2-78.7-173.4-79.1-128.15.1111.8I757 A758 V765I757-R761 WeakPolarHBondContact O-CG 3.42Å; I757-R761 PolarHBondContact O-N 3.08Å; A758-R761 PolarHBondContact O-N 3.36Å; R761-V765 WeakPolarHBondContact O-CG2 3.34Å; R761-V765 PolarHBondContact O-N 3.09Å; R761-V765 VanDerWaalsContact O-N 3.14Å
762H61.2Low61.9Low146 Ų146106.4 Ų106.468%0.67655%0.548SS*.Hα-helixtrans-65.3-48.7174.7-88.2-89.3000112.7A758 A759 L764 V765 E766A758-H762 PolarHBondContact O-N 3.48Å; A759-H762 PolarHBondContact O-N 3.31Å; H762-L764 PolarHBondContact O-N 3.45Å; H762-V765 PolarHBondContact O-N 2.92Å; H762-V765 VanDerWaalsContact O-N 3.13Å; H762-E766 WeakPolarHBondContact O-CB 3.44Å; H762-E766 PolarHBondContact O-N 3.13Å
763S76.1Confident62.6Low36 Ų36102.3 Ų102.325%0.25254%0.539SS..Hα-helixtrans-63.4-28.6179.1-170.60000113.1A759 K767A759-S763 PolarHBondContact O-N 2.86Å; S763-K767 WeakPolarHBondContact O-CB 3.21Å; S763-K767 WeakPolarHBondContact O-CG 3.5Å; S763-K767 PolarHBondContact O-N 3.09Å; S763-K767 PolarHBondContact OG-NZ 3.33Å
764L64.3Low63.1Low107 Ų10798.5 Ų98.556%0.5653%0.528SS*.Hα-helixtrans-70.8-44.2173-178.660.4000111.9N760 H762 E766 K767 I768N760-L764 WeakPolarHBondContact O-CB 3.41Å; N760-L764 PolarHBondContact O-N 3.41Å; H762-L764 PolarHBondContact O-N 3.45Å; L764-E766 VanDerWaalsContact C-N 3.34Å; L764-K767 PolarHBondContact O-N 3.45Å; L764-I768 HydrophobicContact CD1-CD1 4.1Å; L764-I768 HydrophobicContact CD1-CG1 4.47Å; L764-I768 HydrophobicContact CG-CD1 4Å; L764-I768 WeakPolarHBondContact O-CB 3.48Å; L764-I768 WeakPolarHBondContact O-CD1 3.45Å; L764-I768 VanDerWaalsContact O-CG1 3.23Å; L764-I768 WeakPolarHBondContact O-CG1 3.48Å; L764-I768 PolarHBondContact O-N 3.24Å
765V74.1Confident63.5Low102 Ų10294.8 Ų94.862%0.61852%0.521SS*.Hα-helixtrans-63.3-41.3175.5170.30000111.1R761 H762 I768 G769R761-V765 WeakPolarHBondContact O-CG2 3.34Å; R761-V765 PolarHBondContact O-N 3.09Å; R761-V765 VanDerWaalsContact O-N 3.14Å; H762-V765 PolarHBondContact O-N 2.92Å; H762-V765 VanDerWaalsContact O-N 3.13Å; V765-I768 PolarHBondContact O-N 3.42Å; V765-G769 PolarHBondContact O-N 2.94Å
766E69.7Low63.4Low129 Ų12994.1 Ų94.160%0.60352%0.518SS*.Hα-helixtrans-61.5-49.5176.8-170.4168.7-132.600111.6H762 L764 I768 G769 E770H762-E766 WeakPolarHBondContact O-CB 3.44Å; H762-E766 PolarHBondContact O-N 3.13Å; L764-E766 VanDerWaalsContact C-N 3.34Å; E766-I768 VanDerWaalsContact C-N 3.32Å; E766-I768 PolarHBondContact O-N 2.78Å; E766-G769 CarbonylContact O-C 3.58Å; E766-G769 WeakPolarHBondContact O-CA 3.36Å; E766-G769 PolarHBondContact O-N 2.76Å; E766-E770 PolarHBondContact O-N 3.29Å
767K68.3Low63.4Low122 Ų12292.3 Ų92.353%0.5352%0.521SS..Hα-helixtrans-63.8-32.4175.2-77168.9179.9136.30113.8S763 L764 L771S763-K767 WeakPolarHBondContact O-CB 3.21Å; S763-K767 WeakPolarHBondContact O-CG 3.5Å; S763-K767 PolarHBondContact O-N 3.09Å; S763-K767 PolarHBondContact OG-NZ 3.33Å; L764-K767 PolarHBondContact O-N 3.45Å; K767-L771 VanDerWaalsContact O-CB 3.27Å; K767-L771 WeakPolarHBondContact O-CB 3.39Å; K767-L771 PolarHBondContact O-N 2.87Å
768I70.7Confident63Low92 Ų9296.2 Ų96.247%0.47254%0.542SS..Hα-helixtrans-68.2-39171.7-70.5165.2000110L764 V765 E766 L771 V772L764-I768 HydrophobicContact CD1-CD1 4.1Å; L764-I768 HydrophobicContact CD1-CG1 4.47Å; L764-I768 HydrophobicContact CG-CD1 4Å; L764-I768 WeakPolarHBondContact O-CB 3.48Å; L764-I768 WeakPolarHBondContact O-CD1 3.45Å; L764-I768 VanDerWaalsContact O-CG1 3.23Å; L764-I768 WeakPolarHBondContact O-CG1 3.48Å; L764-I768 PolarHBondContact O-N 3.24Å; V765-I768 PolarHBondContact O-N 3.42Å; E766-I768 VanDerWaalsContact C-N 3.32Å; E766-I768 PolarHBondContact O-N 2.78Å; I768-L771 PolarHBondContact O-N 2.94Å; I768-V772 WeakPolarHBondContact O-CB 3.24Å; I768-V772 VanDerWaalsContact O-CG2 3.31Å; I768-V772 WeakPolarHBondContact O-CG2 3.45Å; I768-V772 PolarHBondContact O-N 3.06Å
769G69.8Low62.3Low40 Ų4097.4 Ų97.441%0.41256%0.558SS.*Hα-helixtrans-60.2-48.2171.800000113V765 E766 L771 V772 A773V765-G769 PolarHBondContact O-N 2.94Å; E766-G769 CarbonylContact O-C 3.58Å; E766-G769 WeakPolarHBondContact O-CA 3.36Å; E766-G769 PolarHBondContact O-N 2.76Å; G769-L771 VanDerWaalsContact C-N 3.34Å; G769-L771 PolarHBondContact O-N 2.8Å; G769-V772 PolarHBondContact O-N 3.11Å; G769-A773 WeakPolarHBondContact O-CB 3.23Å; G769-A773 PolarHBondContact O-N 3.23Å
770E72.3Confident61.6Low128 Ų128100.8 Ų100.860%0.59856%0.564SS**Hα-helixtrans-60.7-40.8174.7-68.5-176.7139.200112.3E766 A773 S774E766-E770 PolarHBondContact O-N 3.29Å; E770-A773 PolarHBondContact O-N 3.3Å; E770-S774 WeakPolarHBondContact O-CB 3.34Å; E770-S774 PolarHBondContact O-N 3.4Å; E770-S774 PolarHBondContact O-OG 3.4Å
771L64.4Low60.8Low124 Ų12499.7 Ų99.765%0.64958%0.579SS**Hα-helixtrans-67.5-38.6178.1-169.867.5000112K767 I768 G769 S774 A775K767-L771 VanDerWaalsContact O-CB 3.27Å; K767-L771 WeakPolarHBondContact O-CB 3.39Å; K767-L771 PolarHBondContact O-N 2.87Å; I768-L771 PolarHBondContact O-N 2.94Å; G769-L771 VanDerWaalsContact C-N 3.34Å; G769-L771 PolarHBondContact O-N 2.8Å; L771-S774 WeakPolarHBondContact CA-OG 3.44Å; L771-S774 PolarHBondContact O-OG 3.01Å; L771-A775 VanDerWaalsContact O-CB 3.32Å; L771-A775 WeakPolarHBondContact O-CB 3.47Å; L771-A775 PolarHBondContact O-N 3.24Å
772V67.9Low59.6Low92 Ų92100.5 Ų100.556%0.55859%0.589SS**Hα-helixtrans-69.7-41.8174.3169.70000111.1I768 G769 A775 H776I768-V772 WeakPolarHBondContact O-CB 3.24Å; I768-V772 VanDerWaalsContact O-CG2 3.31Å; I768-V772 WeakPolarHBondContact O-CG2 3.45Å; I768-V772 PolarHBondContact O-N 3.06Å; G769-V772 PolarHBondContact O-N 3.11Å; V772-A775 PolarHBondContact O-N 3.17Å; V772-H776 PolarHBondContact O-N 3.36Å
773A61.4Low58Low61 Ų61102.9 Ų102.950%0.50460%0.598SS.*Hα-helixtrans-64.3-42.7177.100000112.3G769 E770 H776 A777G769-A773 WeakPolarHBondContact O-CB 3.23Å; G769-A773 PolarHBondContact O-N 3.23Å; E770-A773 PolarHBondContact O-N 3.3Å; A773-H776 PolarHBondContact O-N 3Å; A773-A777 WeakPolarHBondContact O-CB 3.48Å; A773-A777 PolarHBondContact O-N 3.04Å
774S56.1Low56.1Low61 Ų61106.5 Ų106.543%0.42762%0.62SS.*Hα-helixtrans-71.4-29.5176.352.60000113.2E770 L771 L778E770-S774 WeakPolarHBondContact O-CB 3.34Å; E770-S774 PolarHBondContact O-N 3.4Å; E770-S774 PolarHBondContact O-OG 3.4Å; L771-S774 WeakPolarHBondContact CA-OG 3.44Å; L771-S774 PolarHBondContact O-OG 3.01Å; S774-L778 WeakPolarHBondContact O-CG 3.37Å; S774-L778 PolarHBondContact O-N 3.12Å
775A54.7Low54.4Low61 Ų61110.9 Ų110.950%0.50464%0.636SS.*Hα-helixtrans-66.4-40.9167.400000112.1L771 V772 L778 G779L771-A775 VanDerWaalsContact O-CB 3.32Å; L771-A775 WeakPolarHBondContact O-CB 3.47Å; L771-A775 PolarHBondContact O-N 3.24Å; V772-A775 PolarHBondContact O-N 3.17Å; A775-L778 PolarHBondContact O-N 3.42Å; A775-G779 PolarHBondContact O-N 3.01Å
776H47.6Very low52.4Low125 Ų125111.7 Ų111.758%0.57964%0.643SS**Hα-helixtrans-65.7-39.3177.4-152.3-64.7000112V772 A773 L778 G779 E780V772-H776 PolarHBondContact O-N 3.36Å; A773-H776 PolarHBondContact O-N 3Å; H776-L778 PolarHBondContact O-N 3.01Å; H776-G779 PolarHBondContact O-N 3.25Å; H776-E780 PolarHBondContact O-N 3.36Å
777A51.5Low50.5Low78 Ų78110.2 Ų110.265%0.64565%0.652SS**THydrogen-bonded Turntrans-67.8-11.1174.800000114.4A773A773-A777 WeakPolarHBondContact O-CB 3.48Å; A773-A777 PolarHBondContact O-N 3.04Å
778L49.2Very low48.7Very low157 Ų157112.2 Ų112.282%0.82267%0.668SS**THydrogen-bonded Turntrans-97.4-10.8170.3-71.4168.9000113S774 A775 H776S774-L778 WeakPolarHBondContact O-CG 3.37Å; S774-L778 PolarHBondContact O-N 3.12Å; A775-L778 PolarHBondContact O-N 3.42Å; H776-L778 PolarHBondContact O-N 3.01Å
779G44Very low46.9Very low64 Ų64113.5 Ų113.566%0.6668%0.682SS**THydrogen-bonded Turntrans-86-37.8177.500000113.6A775 H776A775-G779 PolarHBondContact O-N 3.01Å; H776-G779 PolarHBondContact O-N 3.25Å
780E43.7Very low45Very low130 Ų130118.9 Ų118.961%0.60770%0.702SS**SBendtrans-92.6103.5176.6-66.3-171.1144.800110.6H776 Q782H776-E780 PolarHBondContact O-N 3.36Å; E780-Q782 VanDerWaalsContact C-N 3.25Å; E780-Q782 PolarHBondContact O-N 2.76Å
781G48.6Very low42.9Very low89 Ų89118.5 Ų118.592%0.91870%0.704SS**  trans-72.764.6-174.600000114.7
782Q36.1Very low41.5Very low167 Ų167118.2 Ų118.278%0.7871%0.71SS**  trans-110.781.7-170.7-161.3160.148.500113.4E780E780-Q782 VanDerWaalsContact C-N 3.25Å; E780-Q782 PolarHBondContact O-N 2.76Å
783F28.3Very low39.8Very low195 Ų195119 Ų11986%0.85572%0.715SS**  trans-119116163.6-104.6-85.1000110.2
784P36.1Very low38.3Very low112 Ų112122 Ų12273%0.72773%0.729SS**PPolyproline II helixtrans-77.2124.3174.230.3-32000110.5P786P784-P786 WeakPolarHBondContact O-CD 3.42Å
785F28.8Very low37Very low200 Ų200127.2 Ų127.288%0.87775%0.749SS**PPolyproline II helixtrans-71126.4170.6-75.7-88.5000110.6
786P31.7Very low36.2Very low118 Ų118130 Ų13077%0.76676%0.761SS**PPolyproline II helixtrans-72.2126.1164.2-12.629.1000109.6P784P784-P786 WeakPolarHBondContact O-CD 3.42Å
787A28.9Very low35.1Very low98 Ų98128.1 Ų128.181%0.8178%0.776SS**PPolyproline II helixtrans-69.6149.5168.600000110.8
788L31.2Very low33.9Very low165 Ų165128.2 Ų128.286%0.86479%0.785SS**  trans-104.2154.8166.1-69.6175000109.9
789P33.6Very low32.8Very low118 Ų118128.7 Ų128.777%0.76679%0.787SS**  trans-85.3164.7-166.7-1029.5000115.1
790D29.4Very low32Very low154 Ų154130.1 Ų130.182%0.82479%0.787SS**  trans-51.3132.9173.5-56.4-79.4000113.5
791D27.1Very low31.2Very low120 Ų120132.2 Ų132.264%0.64280%0.797SS**  86.3141.993.4-154.442.5000111.7T793D791-T793 PolarHBondContact OD1-N 2.78Å
792P36.1Very low30.1Very low118 Ų118133 Ų13377%0.76678%0.784SS**  -130.9144.665.135.8-19.6000116.5
793T31.6Very low29.6Very low108 Ų108133.3 Ų133.366%0.66379%0.785SS**  trans-59.7157.1159.1600000113D791D791-T793 PolarHBondContact OD1-N 2.78Å
794P30.9Very low29.4Very low123 Ų123128.6 Ų128.680%0.79977%0.773SS**  -145.6167.1102.438.9-24.7000115.7
795M27.7Very low28.9Very low172 Ų172132.4 Ų132.485%0.84778%0.781SS**  trans-113-174.6162.8-40.7-167.5-61.300109.6
796P38.4Very low28.7Very low118 Ų118126 Ų12677%0.76677%0.772SS**  cis-131.7165.8-18.728.1-7.6000115.1
797G25.1Very low28.5Very low87 Ų87125.3 Ų125.390%0.89778%0.776SS**  trans91.4170.4149.900000118.3
798G25.9Very low28.6Very low80 Ų80130.4 Ų130.483%0.82578%0.783SS**  trans130.6146.5179.300000113.7
799L26.6Very low28.6Very low167 Ų167126.1 Ų126.187%0.87478%0.779SS**  trans-124.3162.1-179.2-79.3165.7000111.5
800S26.6Very low28.8Very low94 Ų94126.3 Ų126.366%0.65778%0.783SS**  trans57.9115.2145.557.70000121.9
801E26Very low29.4Very low174 Ų174123.2 Ų123.281%0.81379%0.787SS**  85132.2122.9-67.9-169.8117.400124.2
802T25.7Very low30.6Very low104 Ų104121.9 Ų121.964%0.63878%0.78SS**  trans69122.7142.948.60000123.3
803Q25.5Very low31Very low174 Ų174123.9 Ų123.981%0.81378%0.781SS**  trans69.3159135.1-64.1-177.468.300118.7
804T25.1Very low32.1Very low96 Ų96125.3 Ų125.359%0.58978%0.784SS**  cis-166.3143.8-28-86.40000106.9
805E26Very low33.1Very low192 Ų192123.3 Ų123.390%0.89777%0.77SS**  trans63.1150.7172.2-73.9162.8-179.500117.4
806G24.6Very low34.1Very low67 Ų67119.3 Ų119.369%0.69176%0.755SS**  cis178.6160.2-7.400000112.9
807A27.2Very low34.8Very low103 Ų103119.9 Ų119.985%0.85175%0.75SS**  trans59.4132.1178.600000116.2
808E29.5Very low36.3Very low205 Ų205125.8 Ų125.896%0.95875%0.745SS**  cis-134.2-177.542.7-70.7-172.5112.300113.8
809G32Very low37.6Very low75 Ų75132.5 Ų132.577%0.77375%0.746SS**  trans-111.4154.4-157.900000117.9
810S37.9Very low38.4Very low122 Ų122128.1 Ų128.185%0.85374%0.74SS**  trans-155.345.9155-161.70000112.1D812S810-D812 VanDerWaalsContact C-N 3.31Å; S810-D812 PolarHBondContact O-N 3.35Å
811G42.1Very low39Very low89 Ų89129 Ų12992%0.91874%0.742SS**THydrogen-bonded Turntrans-83.232.3-173.500000116.4
812D53Low40.1Very low91 Ų91132 Ų13249%0.48775%0.746SS.*THydrogen-bonded Turntrans-133.66.9-164.8-157.126.6000118.1S810 L814 T815 T816S810-D812 VanDerWaalsContact C-N 3.31Å; S810-D812 PolarHBondContact O-N 3.35Å; D812-L814 PolarHBondContact O-N 2.73Å; D812-T815 PolarHBondContact O-N 2.91Å; D812-T815 WeakPolarHBondContact OD1-CB 3.36Å; D812-T815 PolarHBondContact OD1-OG1 2.9Å; D812-T816 PolarHBondContact O-N 2.82Å; D812-T816 PolarHBondContact O-OG1 3.18Å
813M44.7Very low40.7Very low160 Ų160134.6 Ų134.679%0.78876%0.755SS**Hα-helixtrans-65.4-27175.4-161.9173.7-69.900112.7
814L54.4Low41.6Very low138 Ų138137.5 Ų137.572%0.72376%0.758SS**Hα-helixtrans-85.4-12.9-179.5-76.6166.5000114.8D812D812-L814 PolarHBondContact O-N 2.73Å
815T51Low42.3Very low82 Ų82142 Ų14250%0.50377%0.77SS.*Hα-helixtrans-95.8-33175.7118.20000111.9D812 I817 R818D812-T815 PolarHBondContact O-N 2.91Å; D812-T815 WeakPolarHBondContact OD1-CB 3.36Å; D812-T815 PolarHBondContact OD1-OG1 2.9Å; T815-I817 PolarHBondContact O-N 3.25Å; T815-R818 WeakPolarHBondContact O-CB 3.48Å; T815-R818 PolarHBondContact O-N 2.99Å
816T49.3Very low42.8Very low87 Ų87139.1 Ų139.153%0.53477%0.766SS.*Hα-helixtrans-55-36.1172-62.20000112.6D812 R818D812-T816 PolarHBondContact O-N 2.82Å; D812-T816 PolarHBondContact O-OG1 3.18Å; T816-R818 VanDerWaalsContact C-N 3.28Å; T816-R818 PolarHBondContact O-N 2.86Å
817I52.5Low43.7Very low130 Ų130141.6 Ų141.667%0.66777%0.767SS**THydrogen-bonded Turntrans-69.4-24.4176.4-62171.9000112.2T815T815-I817 PolarHBondContact O-N 3.25Å
818R56.2Low44Very low212 Ų212142.6 Ų142.680%0.877%0.768SS**THydrogen-bonded Turntrans-86.1-1.9-174.9-65.1-177.1179.3-157.2-1.6114.6T815 T816T815-R818 WeakPolarHBondContact O-CB 3.48Å; T815-R818 PolarHBondContact O-N 2.99Å; T816-R818 VanDerWaalsContact C-N 3.28Å; T816-R818 PolarHBondContact O-N 2.86Å
819R54.1Low44.5Very low221 Ų221138.7 Ų138.783%0.83475%0.754SS**SBendtrans-123.888.3167.9-75.9-179.4172.3156.9-2.2109.1V821R819-V821 PolarHBondContact O-N 3.1Å
820G44.1Very low44.6Very low74 Ų74142.4 Ų142.476%0.76376%0.756SS**  trans-52.8119.7-166.700000115
821V37.8Very low44.9Very low114 Ų114146.7 Ų146.769%0.69175%0.753SS**  trans-84.5123.3177.1-179.60000110.1R819 L823R819-V821 PolarHBondContact O-N 3.1Å; V821-L823 HydrophobicContact CG1-CG 4.35Å
822R49.3Very low44.9Very low235 Ų235147.4 Ų147.489%0.88774%0.744SS**  trans-99.898.5-174.2-170.7177.771.1172.51.7111.8
823L38.5Very low44.4Very low160 Ų160147.3 Ų147.384%0.83876%0.756SS**PPolyproline II helixtrans-96.4162175.1-68.5178.2000113.1V821V821-L823 HydrophobicContact CG1-CG 4.35Å
824R44.2Very low44.6Very low234 Ų234145.9 Ų145.988%0.88376%0.758SS**PPolyproline II helixtrans-100.5150.8-156.8-70.6179171.2177-3.4114T826R824-T826 PolarHBondContact O-N 3.13Å
825K40.8Very low44Very low191 Ų191150.5 Ų150.583%0.8377%0.766SS**PPolyproline II helixtrans-52.2121166.8176.9179.4-178.91760111.4V827K825-V827 HydrophobicContact CG-CG2 4.47Å
826T34.7Very low43.5Very low132 Ų132154.3 Ų154.381%0.8178%0.782SS**PPolyproline II helixtrans-94.3148.5160.345.40000109.7R824R824-T826 PolarHBondContact O-N 3.13Å
827V44Very low43.3Very low118 Ų118161.3 Ų161.372%0.71582%0.815SS**  trans-117.9121.3174.4174.20000107.3K825K825-V827 HydrophobicContact CG-CG2 4.47Å
828S34Very low42.8Very low124 Ų124162.9 Ų162.987%0.86782%0.822SS**  trans-134.7145.6162.9-70.90000108.2
829N40.8Very low42.1Very low124 Ų124160.3 Ų160.366%0.66382%0.823SS**  trans-123.8124.9-16915695.2000108.9
830D33.2Very low41.4Very low153 Ų153156.9 Ų156.982%0.81882%0.823SS**  trans-128.3143.4160.3-158.7-7.6000109.5
831R44.3Very low41.3Very low212 Ų212161.8 Ų161.880%0.883%0.826SS**  trans-157.962.7-148.5-164.9-172.5-178.1-160.63.6112.3
832S42.8Very low41.5Very low104 Ų104164.8 Ų164.873%0.72784%0.835SS**  trans-129.549.1-176.453.50000113.5
833A41.8Very low41Very low88 Ų88160.1 Ų160.173%0.72783%0.831SS**PPolyproline II helixtrans-67.9137.7159.300000109.7
834P47.8Very low41.1Very low130 Ų130160.1 Ų160.184%0.84483%0.831SS**PPolyproline II helixtrans-66.7138.6177.627.8-34000111
835R43.4Very low40.9Very low235 Ų235154.5 Ų154.589%0.88783%0.827SS**PPolyproline II helixtrans-103.9125.5174.2-88.5178.9157-172.6-7.6110.6
836I39.6Very low40.9Very low162 Ų162151.4 Ų151.483%0.83183%0.827SS**  trans-138.6102.7151.8-50.9179.8000102.9
837L44.5Very low41.5Very low235 Ų235153.2 Ų153.2100%1.2383%0.828SS**  64.6076.1-77.1174.6000112.2

Retrieved 837 of 837 residues in 159.4 ms (Link to these results)

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