A0A077ZJM4_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077ZJM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 300 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
1M91Very high96.3Very high54 Ų5464.6 Ų64.627%0.26633%0.329SS..  0131.30-175.5-179.9-77.100109.4L5 W6 T32 I33 F36 M104 I107M1-L5 HydrophobicContact CG-CD2 4.41Å; M1-W6 HydrophobicContact CG-CB 4.22Å; M1-W6 HydrophobicContact SD-CB 3.78Å; M1-W6 HydrophobicContact SD-CG 4.18Å; M1-T32 HydrophobicContact CE-CG2 4.13Å; M1-I33 HydrophobicContact CE-CB 4.47Å; M1-I33 HydrophobicContact CE-CG1 3.82Å; M1-F36 HydrophobicContact CB-CD2 3.74Å; M1-F36 HydrophobicContact CB-CE2 3.83Å; M1-F36 HydrophobicContact CB-CG 4.21Å; M1-F36 HydrophobicContact CB-CZ 4.36Å; M1-F36 HydrophobicContact CE-CD2 4.09Å; M1-F36 HydrophobicContact CG-CD2 4.47Å; M1-M104 HydrophobicContact CE-SD 3.79Å; M1-M104 HydrophobicContact SD-CE 4.01Å; M1-M104 HydrophobicContact SD-SD 3.75Å; M1-I107 HydrophobicContact CB-CG2 4.09Å; M1-I107 HydrophobicContact CE-CD1 4.13Å
2D93.2Very high96.4Very high107 Ų10763.6 Ų63.657%0.57232%0.318SS*.  trans-59.1146.2174.3171.559.4000112G4 L5 W6D2-G4 VanDerWaalsContact OD2-CA 3.25Å; D2-G4 WeakPolarHBondContact OD2-CA 3.5Å; D2-G4 PolarHBondContact OD2-N 3.37Å; D2-L5 HydrophobicContact CB-CB 4.25Å; D2-L5 PolarHBondContact OD2-N 3.26Å; D2-W6 WeakPolarHBondContact O-CB 3.47Å; D2-W6 PolarHBondContact O-N 3.41Å
3R94.9Very high96.5Very high178 Ų17858.7 Ų58.767%0.67229%0.294SS*.Hα-helixtrans-69.6-36.2-176.8-174.6-179.1-178.3-176.4-0.2112.3T7R3-T7 WeakPolarHBondContact O-CB 3.4Å; R3-T7 PolarHBondContact O-N 3.48Å; R3-T7 PolarHBondContact O-OG1 3.39Å
4G96.9Very high96.5Very high44 Ų4457.5 Ų57.545%0.45429%0.288SS..Hα-helixtrans-63.5-53.9176.700000110.5D2 W6 T7 E8D2-G4 VanDerWaalsContact OD2-CA 3.25Å; D2-G4 WeakPolarHBondContact OD2-CA 3.5Å; D2-G4 PolarHBondContact OD2-N 3.37Å; G4-W6 VanDerWaalsContact C-N 3.3Å; G4-W6 PolarHBondContact O-N 3.26Å; G4-T7 PolarHBondContact O-N 3.46Å; G4-T7 VanDerWaalsContact O-N 3.1Å; G4-E8 PolarHBondContact O-N 2.92Å
5L96.8Very high96.5Very high56 Ų5657.9 Ų57.929%0.29329%0.29SS..Hα-helixtrans-56.4-43.9175.8-178.262.5000112M1 D2 T7 E8 I9 T32M1-L5 HydrophobicContact CG-CD2 4.41Å; D2-L5 HydrophobicContact CB-CB 4.25Å; D2-L5 PolarHBondContact OD2-N 3.26Å; L5-T7 VanDerWaalsContact C-N 3.32Å; L5-T7 PolarHBondContact O-N 3.13Å; L5-E8 PolarHBondContact O-N 3.35Å; L5-I9 HydrophobicContact CD1-CD1 3.75Å; L5-I9 HydrophobicContact CD1-CG1 4.18Å; L5-I9 HydrophobicContact CG-CD1 3.88Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 2.71Å; L5-I9 VanDerWaalsContact O-N 3.13Å; L5-T32 HydrophobicContact CD2-CG2 4.36Å
6W98.1Very high96.4Very high20 Ų2054.4 Ų54.48%0.07627%0.273CS..Hα-helixtrans-59.3-44.3177.5-18086.7000112.3M1 D2 G4 K10 M104 Y105 R108 F109M1-W6 HydrophobicContact CG-CB 4.22Å; M1-W6 HydrophobicContact SD-CB 3.78Å; M1-W6 HydrophobicContact SD-CG 4.18Å; D2-W6 WeakPolarHBondContact O-CB 3.47Å; D2-W6 PolarHBondContact O-N 3.41Å; G4-W6 VanDerWaalsContact C-N 3.3Å; G4-W6 PolarHBondContact O-N 3.26Å; W6-K10 HydrophobicContact CH2-CD 3.51Å; W6-K10 HydrophobicContact CZ2-CD 3.94Å; W6-K10 HydrophobicContact CZ3-CD 3.87Å; W6-K10 VanDerWaalsContact O-CB 3.3Å; W6-K10 WeakPolarHBondContact O-CB 3.48Å; W6-K10 PolarHBondContact O-N 3.31Å; W6-K10 VanDerWaalsContact O-N 3.07Å; W6-M104 HydrophobicContact CB-CE 4.29Å; W6-M104 HydrophobicContact CG-CE 3.87Å; W6-M104 PolarHBondContact NE1-O 2.97Å; W6-M104 WeakPolarHBondContact O-CE 3.29Å; W6-Y105 HydrophobicContact CH2-CE1 4.29Å; W6-Y105 HydrophobicContact CZ2-CD1 4.06Å; W6-Y105 HydrophobicContact CZ2-CE1 4.14Å; W6-R108 HydrophobicContact CD2-CB 4.04Å; W6-R108 HydrophobicContact CD2-CG 3.92Å; W6-R108 HydrophobicContact CE3-CG 4.29Å; W6-R108 HydrophobicContact CG-CB 4.3Å; W6-R108 HydrophobicContact CG-CG 4.46Å; W6-R108 HydrophobicContact CH2-CG 4.05Å; W6-R108 HydrophobicContact CZ2-CB 3.67Å; W6-R108 HydrophobicContact CZ2-CG 3.69Å; W6-R108 HydrophobicContact CZ3-CG 4.36Å; W6-R108 VanDerWaalsContact NE1-CB 3.26Å; W6-F109 AromaticContact CH2-CE2 3.75Å; W6-F109 HydrophobicContact CH2-CE2 3.75Å; W6-F109 HydrophobicContact CH2-CZ 4.17Å; W6-F109 AromaticContact CZ2-CE2 3.82Å; W6-F109 HydrophobicContact CZ2-CE2 3.82Å
7T97.9Very high96.1Very high51 Ų5154.1 Ų54.131%0.31327%0.274SS..Hα-helixtrans-66.7-45.5-177.7-56.10000110.7R3 G4 L5 K10 D11R3-T7 WeakPolarHBondContact O-CB 3.4Å; R3-T7 PolarHBondContact O-N 3.48Å; R3-T7 PolarHBondContact O-OG1 3.39Å; G4-T7 PolarHBondContact O-N 3.46Å; G4-T7 VanDerWaalsContact O-N 3.1Å; L5-T7 VanDerWaalsContact C-N 3.32Å; L5-T7 PolarHBondContact O-N 3.13Å; T7-K10 PolarHBondContact O-N 3.08Å; T7-D11 WeakPolarHBondContact O-CB 3.41Å; T7-D11 VanDerWaalsContact O-CG 3.31Å; T7-D11 PolarHBondContact O-N 3.41Å
8E97.7Very high95.8Very high101 Ų10164.1 Ų64.147%0.47231%0.308SS..Hα-helixtrans-60.6-49.6-179.7-170.1-158.8133.500112.5G4 L5 D11 R12G4-E8 PolarHBondContact O-N 2.92Å; L5-E8 PolarHBondContact O-N 3.35Å; E8-D11 PolarHBondContact O-N 3.46Å; E8-R12 PolarHBondContact O-N 2.97Å; E8-R12 IonicContact OE1-CZ 3.55Å; E8-R12 IonicContact OE1-NE 3.75Å; E8-R12 PolarHBondContact OE1-NE 3.3Å; E8-R12 IonicContact OE1-NH2 2.71Å; E8-R12 PolarHBondContact OE1-NH2 3.12Å
9I98.1Very high95.4Very high0 Ų068.7 Ų68.70%032%0.322CS..Hα-helixtrans-64-44.8179.1-65.9168.5000110.3L5 D11 R12 L13 V25 E29 I33 M104L5-I9 HydrophobicContact CD1-CD1 3.75Å; L5-I9 HydrophobicContact CD1-CG1 4.18Å; L5-I9 HydrophobicContact CG-CD1 3.88Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 2.71Å; L5-I9 VanDerWaalsContact O-N 3.13Å; I9-D11 VanDerWaalsContact C-N 3.32Å; I9-D11 PolarHBondContact O-N 3.12Å; I9-R12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.39Å; I9-V25 HydrophobicContact CG2-CG1 3.96Å; I9-E29 HydrophobicContact CD1-CB 4.02Å; I9-E29 HydrophobicContact CD1-CG 3.87Å; I9-E29 HydrophobicContact CG1-CG 4.28Å; I9-I33 HydrophobicContact CD1-CD1 4.44Å; I9-I33 HydrophobicContact CG2-CD1 4.03Å; I9-M104 HydrophobicContact CB-CE 3.6Å; I9-M104 HydrophobicContact CD1-CE 4.44Å; I9-M104 HydrophobicContact CG2-CE 3.65Å; I9-M104 HydrophobicContact CG2-CG 4.44Å; I9-M104 HydrophobicContact CG2-SD 4.17Å
10K97.9Very high94.9Very high31 Ų3171.7 Ų71.714%0.13533%0.334CS..Hα-helixtrans-56.2-48.4177178.3-164.266.169.60110.7W6 T7 R12 L13 L14 L101 Y105W6-K10 HydrophobicContact CH2-CD 3.51Å; W6-K10 HydrophobicContact CZ2-CD 3.94Å; W6-K10 HydrophobicContact CZ3-CD 3.87Å; W6-K10 VanDerWaalsContact O-CB 3.3Å; W6-K10 WeakPolarHBondContact O-CB 3.48Å; W6-K10 PolarHBondContact O-N 3.31Å; W6-K10 VanDerWaalsContact O-N 3.07Å; T7-K10 PolarHBondContact O-N 3.08Å; K10-R12 VanDerWaalsContact C-N 3.33Å; K10-R12 PolarHBondContact O-N 3.09Å; K10-L13 PolarHBondContact O-N 2.91Å; K10-L14 HydrophobicContact CD-CD1 4.33Å; K10-L14 HydrophobicContact CG-CD1 3.99Å; K10-L14 HydrophobicContact CG-CG 4.34Å; K10-L14 WeakPolarHBondContact O-CG 3.28Å; K10-L14 PolarHBondContact O-N 3.31Å; K10-L101 HydrophobicContact CG-CD1 4.21Å; K10-Y105 HydrophobicContact CD-CE1 4.3Å
11D97.1Very high94.6Very high69 Ų6971.8 Ų71.837%0.36934%0.336SS..Hα-helixtrans-64-39.9-179.2-71-19.3000111.5T7 E8 I9 L13 L14 M15T7-D11 WeakPolarHBondContact O-CB 3.41Å; T7-D11 VanDerWaalsContact O-CG 3.31Å; T7-D11 PolarHBondContact O-N 3.41Å; E8-D11 PolarHBondContact O-N 3.46Å; I9-D11 VanDerWaalsContact C-N 3.32Å; I9-D11 PolarHBondContact O-N 3.12Å; D11-L13 PolarHBondContact O-N 3.32Å; D11-L14 PolarHBondContact O-N 3.26Å; D11-M15 VanDerWaalsContact O-CG 3.29Å; D11-M15 WeakPolarHBondContact O-CG 3.45Å; D11-M15 PolarHBondContact O-N 2.78Å
12R97.3Very high94.5Very high52 Ų5273.6 Ų73.620%0.19635%0.351CS..Hα-helixtrans-60.8-40.9172.6-81.1-165.7-80140.9-12.7113.7E8 I9 K10 M15 Q16 P24 E29E8-R12 PolarHBondContact O-N 2.97Å; E8-R12 IonicContact OE1-CZ 3.55Å; E8-R12 IonicContact OE1-NE 3.75Å; E8-R12 PolarHBondContact OE1-NE 3.3Å; E8-R12 IonicContact OE1-NH2 2.71Å; E8-R12 PolarHBondContact OE1-NH2 3.12Å; I9-R12 PolarHBondContact O-N 3.32Å; K10-R12 VanDerWaalsContact C-N 3.33Å; K10-R12 PolarHBondContact O-N 3.09Å; R12-M15 HydrophobicContact CB-CE 4.46Å; R12-M15 HydrophobicContact CG-CE 4.01Å; R12-Q16 PolarHBondContact O-NE2 3.42Å; R12-Q16 VanDerWaalsContact O-NE2 3.09Å; R12-P24 PolarHBondContact NH1-O 3.17Å; R12-E29 IonicContact CZ-OE1 3.69Å; R12-E29 IonicContact CZ-OE2 3.34Å; R12-E29 IonicContact NH1-OE1 3.95Å; R12-E29 PolarHBondContact NH1-OE1 2.86Å; R12-E29 IonicContact NH1-OE2 2.72Å; R12-E29 PolarHBondContact NH1-OE2 2.86Å; R12-E29 IonicContact NH2-OE1 3.96Å; R12-E29 PolarHBondContact NH2-OE1 3.09Å; R12-E29 IonicContact NH2-OE2 3.11Å; R12-E29 PolarHBondContact NH2-OE2 3.25Å
13L97.8Very high94.5Very high0 Ų074 Ų740%035%0.349CS..Hα-helixtrans-66.1-48175.3-71.6170.2000111.1I9 K10 D11 M15 Q16 P24 V25 F64 E97 L100 L101 M104I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.39Å; K10-L13 PolarHBondContact O-N 2.91Å; D11-L13 PolarHBondContact O-N 3.32Å; L13-M15 PolarHBondContact O-N 3.2Å; L13-Q16 VanDerWaalsContact O-CB 3.23Å; L13-Q16 WeakPolarHBondContact O-CB 3.45Å; L13-Q16 WeakPolarHBondContact O-CG 3.45Å; L13-Q16 PolarHBondContact O-N 2.98Å; L13-P24 HydrophobicContact CD2-CG 4.41Å; L13-V25 HydrophobicContact CD2-CG1 4.06Å; L13-V25 HydrophobicContact CG-CG1 4.34Å; L13-F64 VanDerWaalsContact O-CE1 3.3Å; L13-F64 WeakPolarHBondContact O-CE1 3.28Å; L13-F64 VanDerWaalsContact O-CZ 3.25Å; L13-F64 WeakPolarHBondContact O-CZ 3.31Å; L13-E97 HydrophobicContact CD2-CB 4.45Å; L13-E97 HydrophobicContact CD2-CG 4.26Å; L13-L100 HydrophobicContact CD1-CB 3.94Å; L13-L100 HydrophobicContact CD2-CB 4.23Å; L13-L100 HydrophobicContact CD2-CD1 4.32Å; L13-L101 HydrophobicContact CB-CD1 4.31Å; L13-L101 HydrophobicContact CD1-CB 4.27Å; L13-L101 HydrophobicContact CD1-CD1 4.43Å; L13-M104 HydrophobicContact CD1-CG 4.3Å
14L96.8Very high94.4Very high42 Ų4265.8 Ų65.822%0.2232%0.319CS..Hα-helixtrans-61.3-32.9178.6-68.3176.3000112.5K10 D11 Q16 I68 Y76 L101K10-L14 HydrophobicContact CD-CD1 4.33Å; K10-L14 HydrophobicContact CG-CD1 3.99Å; K10-L14 HydrophobicContact CG-CG 4.34Å; K10-L14 WeakPolarHBondContact O-CG 3.28Å; K10-L14 PolarHBondContact O-N 3.31Å; D11-L14 PolarHBondContact O-N 3.26Å; L14-Q16 PolarHBondContact O-N 3.45Å; L14-I68 HydrophobicContact CD2-CD1 3.56Å; L14-Y76 HydrophobicContact CD2-CE1 4.06Å; L14-L101 HydrophobicContact CD2-CD1 4.21Å; L14-L101 HydrophobicContact CD2-CD2 3.88Å; L14-L101 HydrophobicContact CG-CD1 4.47Å
15M96.1Very high94.4Very high64 Ų6463.8 Ų63.832%0.31530%0.298SS..THydrogen-bonded Turntrans-66.1-14.3174.4-75-171.8-67.600114D11 R12 L13 V17 R18 R19D11-M15 VanDerWaalsContact O-CG 3.29Å; D11-M15 WeakPolarHBondContact O-CG 3.45Å; D11-M15 PolarHBondContact O-N 2.78Å; R12-M15 HydrophobicContact CB-CE 4.46Å; R12-M15 HydrophobicContact CG-CE 4.01Å; L13-M15 PolarHBondContact O-N 3.2Å; M15-V17 PolarHBondContact O-N 2.86Å; M15-R18 PolarHBondContact O-N 2.88Å; M15-R19 PolarHBondContact O-N 2.93Å
16Q95.4Very high94.3Very high2 Ų264.2 Ų64.21%0.00930%0.303CS..Hα-helixtrans-66.9-22.4-178.7-64-48.4-52.200114.1R12 L13 L14 R18 K20 P24 F64 M94 E97R12-Q16 PolarHBondContact O-NE2 3.42Å; R12-Q16 VanDerWaalsContact O-NE2 3.09Å; L13-Q16 VanDerWaalsContact O-CB 3.23Å; L13-Q16 WeakPolarHBondContact O-CB 3.45Å; L13-Q16 WeakPolarHBondContact O-CG 3.45Å; L13-Q16 PolarHBondContact O-N 2.98Å; L14-Q16 PolarHBondContact O-N 3.45Å; Q16-R18 PolarHBondContact O-N 3.05Å; Q16-R18 VanDerWaalsContact O-N 3.12Å; Q16-K20 PolarHBondContact O-N 2.8Å; Q16-P24 VanDerWaalsContact CD-CB 3.49Å; Q16-P24 HydrophobicContact CG-CB 3.68Å; Q16-P24 HydrophobicContact CG-CG 4.24Å; Q16-F64 HydrophobicContact CB-CD1 4.36Å; Q16-F64 HydrophobicContact CB-CE1 3.95Å; Q16-M94 HydrophobicContact CB-CE 3.68Å; Q16-E97 HydrophobicContact CB-CG 4.01Å; Q16-E97 HydrophobicContact CG-CG 3.85Å
17V90.7Very high94.2Very high48 Ų4867 Ų6729%0.29132%0.319SS..Hα-helixtrans-54.5-31.3169.9179.40000111.6M15 F64 E65 I68M15-V17 PolarHBondContact O-N 2.86Å; V17-F64 HydrophobicContact CG2-CD1 4.05Å; V17-F64 HydrophobicContact CG2-CE1 3.82Å; V17-E65 HydrophobicContact CG1-CG 4.38Å; V17-I68 HydrophobicContact CG2-CB 4.07Å; V17-I68 HydrophobicContact CG2-CG1 3.58Å; V17-I68 HydrophobicContact CG2-CG2 4.16Å
18R90.5Very high94.2Very high234 Ų23471.9 Ų71.988%0.88334%0.338SS*.Hα-helixtrans-104.7-42.9-179.5-62.2-177.8-179.2-179.50113.3M15 Q16M15-R18 PolarHBondContact O-N 2.88Å; Q16-R18 PolarHBondContact O-N 3.05Å; Q16-R18 VanDerWaalsContact O-N 3.12Å
19R87.5Confident94.2Very high152 Ų15268.3 Ų68.357%0.57432%0.321SS*.Hα-helixtrans-86.3-31.7-168.4-66.4-173.4177.7177.5-0.1114M15 N21M15-R19 PolarHBondContact O-N 2.93Å; R19-N21 PolarHBondContact O-N 3.14Å; R19-N21 VanDerWaalsContact O-N 3.15Å
20K85.3Confident94.2Very high129 Ų12968.3 Ų68.356%0.56132%0.321SS*.  trans46.541.2-177.9-56-171.3178.7-164.10113.4Q16 E65Q16-K20 PolarHBondContact O-N 2.8Å; K20-E65 VanDerWaalsContact CE-OE1 3.23Å; K20-E65 WeakPolarHBondContact CE-OE1 3.27Å; K20-E65 IonicContact NZ-OE1 3.83Å; K20-E65 PolarHBondContact NZ-OE1 3.32Å
21N89Confident94.2Very high74 Ų7470.7 Ų70.740%0.39634%0.336SS..  trans-62.6136176.7-69.2-25.3000110.1R19 Q23 R138R19-N21 PolarHBondContact O-N 3.14Å; R19-N21 VanDerWaalsContact O-N 3.15Å; N21-Q23 VanDerWaalsContact C-N 3.27Å; N21-Q23 PolarHBondContact O-N 2.77Å; N21-R138 PolarHBondContact O-NH2 3.06Å
22T90.2Very high94.2Very high92 Ų9269 Ų6956%0.56433%0.327SS*.SBendtrans-64.5-30.4-179.8-44.60000112.8R138T22-R138 HydrophobicContact CG2-CB 4.13Å; T22-R138 HydrophobicContact CG2-CG 3.95Å; T22-R138 VanDerWaalsContact O-CZ 3.28Å; T22-R138 PolarHBondContact O-NE 2.99Å; T22-R138 PolarHBondContact O-NH2 2.78Å
23Q93.6Very high94.3Very high116 Ų11666.5 Ų66.554%0.54232%0.318SS..  trans-131.785.7176.3-65.3-179.3-3.500109.9N21 V25 R138 Y139N21-Q23 VanDerWaalsContact C-N 3.27Å; N21-Q23 PolarHBondContact O-N 2.77Å; Q23-V25 VanDerWaalsContact C-N 3.26Å; Q23-V25 PolarHBondContact O-N 2.72Å; Q23-R138 VanDerWaalsContact CG-O 3.29Å; Q23-R138 WeakPolarHBondContact CG-O 3.5Å; Q23-R138 PolarHBondContact NE2-O 2.81Å; Q23-Y139 WeakPolarHBondContact CA-OH 3.4Å; Q23-Y139 HydrophobicContact CB-CE1 3.89Å; Q23-Y139 HydrophobicContact CG-CD1 4Å; Q23-Y139 HydrophobicContact CG-CE1 3.71Å; Q23-Y139 HydrophobicContact CG-CE2 4.29Å; Q23-Y139 HydrophobicContact CG-CG 4.44Å
24P92.1Very high94.3Very high5 Ų566.5 Ų66.53%0.03232%0.318CS..SBendtrans-72.5-21.9-177.129.5-37.3000113.5R12 L13 Q16 E97R12-P24 PolarHBondContact NH1-O 3.17Å; L13-P24 HydrophobicContact CD2-CG 4.41Å; Q16-P24 VanDerWaalsContact CD-CB 3.49Å; Q16-P24 HydrophobicContact CG-CB 3.68Å; Q16-P24 HydrophobicContact CG-CG 4.24Å; P24-E97 HydrophobicContact CG-CG 4.2Å
25V96.2Very high94.4Very high2 Ų268.3 Ų68.31%0.01233%0.325CS..SBendtrans-131.2152.1179.9-63.20000110.6I9 L13 Q23 E29 V30 L100 Y139I9-V25 HydrophobicContact CG2-CG1 3.96Å; L13-V25 HydrophobicContact CD2-CG1 4.06Å; L13-V25 HydrophobicContact CG-CG1 4.34Å; Q23-V25 VanDerWaalsContact C-N 3.26Å; Q23-V25 PolarHBondContact O-N 2.72Å; V25-E29 WeakPolarHBondContact CA-OE2 3.48Å; V25-E29 HydrophobicContact CB-CB 4.32Å; V25-E29 WeakPolarHBondContact CB-OE2 3.49Å; V25-V30 HydrophobicContact CB-CG2 4.43Å; V25-V30 HydrophobicContact CG2-CG2 3.47Å; V25-V30 VanDerWaalsContact CG2-CG2 3.47Å; V25-L100 HydrophobicContact CB-CD1 4.45Å; V25-L100 HydrophobicContact CG1-CD1 4.29Å; V25-L100 HydrophobicContact CG2-CD1 3.4Å; V25-L100 VanDerWaalsContact CG2-CD1 3.4Å; V25-Y139 WeakPolarHBondContact CG2-OH 3.12Å; V25-Y139 VanDerWaalsContact O-CE1 3.23Å; V25-Y139 WeakPolarHBondContact O-CE1 3.4Å; V25-Y139 PolarHBondContact O-OH 2.8Å
26T96.1Very high94.5Very high65 Ų6568 Ų6840%0.39932%0.322SS..  trans-80.3163.3175.273.10000111.1E28 E29 V30T26-E28 VanDerWaalsContact C-N 3.26Å; T26-E28 PolarHBondContact O-N 2.77Å; T26-E29 PolarHBondContact N-OE2 2.84Å; T26-E29 PolarHBondContact O-N 2.9Å; T26-E29 VanDerWaalsContact OG1-CD 3.28Å; T26-E29 VanDerWaalsContact OG1-CG 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.41Å; T26-E29 PolarHBondContact OG1-N 3.15Å; T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.43Å; T26-V30 PolarHBondContact O-N 3.08Å
27L95.5Very high94.7Very high78 Ų7867.9 Ų67.941%0.40832%0.322SS..Hα-helixtrans-62.5-35175.3-178.164.6000112.4V30 N31 N141 M144L27-V30 PolarHBondContact O-N 2.9Å; L27-N31 WeakPolarHBondContact O-CB 3.41Å; L27-N31 PolarHBondContact O-N 2.86Å; L27-N141 WeakPolarHBondContact CD2-ND2 3.35Å; L27-M144 HydrophobicContact CD1-CB 3.92Å; L27-M144 HydrophobicContact CD1-CG 4.25Å; L27-M144 HydrophobicContact CD1-SD 4.18Å
28E96.6Very high95.1Very high153 Ų15368 Ų6872%0.71532%0.317SS*.Hα-helixtrans-66.2-40.5177.7-176.1173.8-175.100111.6T26 N31 T32T26-E28 VanDerWaalsContact C-N 3.26Å; T26-E28 PolarHBondContact O-N 2.77Å; E28-N31 PolarHBondContact O-N 2.9Å; E28-T32 WeakPolarHBondContact O-CB 3.34Å; E28-T32 PolarHBondContact O-N 2.81Å; E28-T32 PolarHBondContact O-OG1 2.98Å
29E97.8Very high95.4Very high26 Ų2660.9 Ų60.912%0.12129%0.294CS..Hα-helixtrans-63.5-45.4173.6-70.9161.7-175.300111I9 R12 V25 T26 N31 T32 I33I9-E29 HydrophobicContact CD1-CB 4.02Å; I9-E29 HydrophobicContact CD1-CG 3.87Å; I9-E29 HydrophobicContact CG1-CG 4.28Å; R12-E29 IonicContact CZ-OE1 3.69Å; R12-E29 IonicContact CZ-OE2 3.34Å; R12-E29 IonicContact NH1-OE1 3.95Å; R12-E29 PolarHBondContact NH1-OE1 2.86Å; R12-E29 IonicContact NH1-OE2 2.72Å; R12-E29 PolarHBondContact NH1-OE2 2.86Å; R12-E29 IonicContact NH2-OE1 3.96Å; R12-E29 PolarHBondContact NH2-OE1 3.09Å; R12-E29 IonicContact NH2-OE2 3.11Å; R12-E29 PolarHBondContact NH2-OE2 3.25Å; V25-E29 WeakPolarHBondContact CA-OE2 3.48Å; V25-E29 HydrophobicContact CB-CB 4.32Å; V25-E29 WeakPolarHBondContact CB-OE2 3.49Å; T26-E29 PolarHBondContact N-OE2 2.84Å; T26-E29 PolarHBondContact O-N 2.9Å; T26-E29 VanDerWaalsContact OG1-CD 3.28Å; T26-E29 VanDerWaalsContact OG1-CG 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.41Å; T26-E29 PolarHBondContact OG1-N 3.15Å; E29-N31 VanDerWaalsContact C-N 3.31Å; E29-N31 PolarHBondContact O-N 3.38Å; E29-T32 WeakPolarHBondContact O-CB 3.45Å; E29-T32 PolarHBondContact O-N 2.92Å; E29-T32 VanDerWaalsContact O-N 3.16Å; E29-I33 WeakPolarHBondContact O-CD1 3.37Å; E29-I33 WeakPolarHBondContact O-CG1 3Å; E29-I33 PolarHBondContact O-N 2.91Å
30V98.2Very high95.9Very high0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-59.6-43.3176.1176.80000110.9V25 T26 L27 T32 I33 C34 L100 M144 L147 F148V25-V30 HydrophobicContact CB-CG2 4.43Å; V25-V30 HydrophobicContact CG2-CG2 3.47Å; V25-V30 VanDerWaalsContact CG2-CG2 3.47Å; T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.43Å; T26-V30 PolarHBondContact O-N 3.08Å; L27-V30 PolarHBondContact O-N 2.9Å; V30-T32 VanDerWaalsContact C-N 3.34Å; V30-T32 PolarHBondContact O-N 3.26Å; V30-I33 PolarHBondContact O-N 3.32Å; V30-C34 VanDerWaalsContact O-CB 3.29Å; V30-C34 WeakPolarHBondContact O-CB 3.33Å; V30-C34 PolarHBondContact O-N 2.89Å; V30-C34 PolarHBondContact O-SG 3.24Å; V30-L100 HydrophobicContact CG2-CD1 4.32Å; V30-L100 HydrophobicContact CG2-CD2 4.43Å; V30-M144 HydrophobicContact CB-CE 4.31Å; V30-M144 HydrophobicContact CG1-CE 4.01Å; V30-M144 HydrophobicContact CG1-CG 4.08Å; V30-M144 HydrophobicContact CG1-SD 4.44Å; V30-M144 HydrophobicContact CG2-CE 3.54Å; V30-M144 HydrophobicContact CG2-SD 4.3Å; V30-L147 HydrophobicContact CG1-CD2 4.01Å; V30-F148 HydrophobicContact CG1-CE1 4.38Å; V30-F148 HydrophobicContact CG1-CE2 4.02Å; V30-F148 HydrophobicContact CG1-CZ 3.8Å
31N97.9Very high96.6Very high82 Ų8248.2 Ų48.244%0.43925%0.245SC..Hα-helixtrans-59.6-44.8175.2-172.859.9000112.1L27 E28 E29 C34 H35 L147L27-N31 WeakPolarHBondContact O-CB 3.41Å; L27-N31 PolarHBondContact O-N 2.86Å; E28-N31 PolarHBondContact O-N 2.9Å; E29-N31 VanDerWaalsContact C-N 3.31Å; E29-N31 PolarHBondContact O-N 3.38Å; N31-C34 PolarHBondContact O-N 3.28Å; N31-H35 WeakPolarHBondContact O-CB 3.5Å; N31-H35 PolarHBondContact O-N 3.12Å; N31-L147 HydrophobicContact CB-CD2 4.11Å
32T98.2Very high97Very high32 Ų3247.2 Ų47.220%0.19625%0.245CC..Hα-helixtrans-62.6-46.8177.6-58.90000111.6M1 L5 E28 E29 V30 H35 F36M1-T32 HydrophobicContact CE-CG2 4.13Å; L5-T32 HydrophobicContact CD2-CG2 4.36Å; E28-T32 WeakPolarHBondContact O-CB 3.34Å; E28-T32 PolarHBondContact O-N 2.81Å; E28-T32 PolarHBondContact O-OG1 2.98Å; E29-T32 WeakPolarHBondContact O-CB 3.45Å; E29-T32 PolarHBondContact O-N 2.92Å; E29-T32 VanDerWaalsContact O-N 3.16Å; V30-T32 VanDerWaalsContact C-N 3.34Å; V30-T32 PolarHBondContact O-N 3.26Å; T32-H35 PolarHBondContact O-N 2.91Å; T32-F36 HydrophobicContact CG2-CD2 3.81Å; T32-F36 HydrophobicContact CG2-CE2 3.72Å; T32-F36 VanDerWaalsContact O-CD2 3.26Å; T32-F36 WeakPolarHBondContact O-CD2 3.38Å; T32-F36 PolarHBondContact O-N 2.87Å; T32-F36 VanDerWaalsContact O-N 3.08Å
33I98.6Very high97.4Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-62-49.3177.9-63.1161.7000110.1M1 I9 E29 V30 H35 F36 A37 L100 M103 M104 I107M1-I33 HydrophobicContact CE-CB 4.47Å; M1-I33 HydrophobicContact CE-CG1 3.82Å; I9-I33 HydrophobicContact CD1-CD1 4.44Å; I9-I33 HydrophobicContact CG2-CD1 4.03Å; E29-I33 WeakPolarHBondContact O-CD1 3.37Å; E29-I33 WeakPolarHBondContact O-CG1 3Å; E29-I33 PolarHBondContact O-N 2.91Å; V30-I33 PolarHBondContact O-N 3.32Å; I33-H35 VanDerWaalsContact C-N 3.3Å; I33-H35 PolarHBondContact O-N 3.08Å; I33-F36 PolarHBondContact O-N 3.19Å; I33-A37 WeakPolarHBondContact O-CB 3.18Å; I33-A37 PolarHBondContact O-N 2.87Å; I33-L100 HydrophobicContact CB-CD2 4.25Å; I33-L100 HydrophobicContact CD1-CD2 3.69Å; I33-L100 HydrophobicContact CG2-CD2 3.98Å; I33-M103 HydrophobicContact CG2-CB 3.89Å; I33-M103 HydrophobicContact CG2-CE 4.02Å; I33-M104 HydrophobicContact CD1-CG 4.27Å; I33-M104 HydrophobicContact CD1-SD 3.96Å; I33-M104 HydrophobicContact CG1-CG 4.4Å; I33-M104 HydrophobicContact CG1-SD 3.67Å; I33-M104 HydrophobicContact CG2-CG 4.42Å; I33-M104 HydrophobicContact CG2-SD 4.41Å; I33-I107 HydrophobicContact CG2-CD1 3.93Å; I33-I107 WeakPolarHBondContact O-CD1 3.29Å
34C98.7Very high97.6Very high0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-62.3-37.9-179.5-71.40000112.1V30 N31 R38 L147 T151V30-C34 VanDerWaalsContact O-CB 3.29Å; V30-C34 WeakPolarHBondContact O-CB 3.33Å; V30-C34 PolarHBondContact O-N 2.89Å; V30-C34 PolarHBondContact O-SG 3.24Å; N31-C34 PolarHBondContact O-N 3.28Å; C34-R38 WeakPolarHBondContact O-CB 3.48Å; C34-R38 WeakPolarHBondContact O-CG 3.41Å; C34-R38 PolarHBondContact O-N 2.78Å; C34-R38 PolarHBondContact O-NH1 2.88Å; C34-L147 HydrophobicContact CB-CD1 3.8Å; C34-L147 HydrophobicContact CB-CD2 3.96Å; C34-L147 HydrophobicContact CB-CG 3.67Å; C34-T151 WeakPolarHBondContact CB-OG1 3.38Å
35H98.4Very high97.9Very high81 Ų8148 Ų4838%0.37525%0.252SS..Hα-helixtrans-61-56.1174.2173.567.8000111.8N31 T32 I33 A37 R38 E39N31-H35 WeakPolarHBondContact O-CB 3.5Å; N31-H35 PolarHBondContact O-N 3.12Å; T32-H35 PolarHBondContact O-N 2.91Å; I33-H35 VanDerWaalsContact C-N 3.3Å; I33-H35 PolarHBondContact O-N 3.08Å; H35-A37 VanDerWaalsContact C-N 3.31Å; H35-A37 PolarHBondContact O-N 2.77Å; H35-R38 PolarHBondContact O-N 2.88Å; H35-E39 IonicContact CE1-OE1 3.74Å; H35-E39 IonicContact NE2-OE1 3.72Å; H35-E39 PolarHBondContact O-N 3.03Å
36F98.6Very high97.9Very high57 Ų5748.4 Ų48.425%0.2525%0.254CS..Hα-helixtrans-65.9-32.2179.6-76.6-64.5000113M1 T32 I33 E39 A40 I107M1-F36 HydrophobicContact CB-CD2 3.74Å; M1-F36 HydrophobicContact CB-CE2 3.83Å; M1-F36 HydrophobicContact CB-CG 4.21Å; M1-F36 HydrophobicContact CB-CZ 4.36Å; M1-F36 HydrophobicContact CE-CD2 4.09Å; M1-F36 HydrophobicContact CG-CD2 4.47Å; T32-F36 HydrophobicContact CG2-CD2 3.81Å; T32-F36 HydrophobicContact CG2-CE2 3.72Å; T32-F36 VanDerWaalsContact O-CD2 3.26Å; T32-F36 WeakPolarHBondContact O-CD2 3.38Å; T32-F36 PolarHBondContact O-N 2.87Å; T32-F36 VanDerWaalsContact O-N 3.08Å; I33-F36 PolarHBondContact O-N 3.19Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.31Å; F36-E39 PolarHBondContact O-N 2.81Å; F36-A40 WeakPolarHBondContact O-CB 3.25Å; F36-A40 PolarHBondContact O-N 3.45Å; F36-I107 HydrophobicContact CB-CD1 3.76Å; F36-I107 HydrophobicContact CB-CG1 3.87Å; F36-I107 HydrophobicContact CB-CG2 3.93Å; F36-I107 HydrophobicContact CG-CG2 4.5Å
37A98.7Very high98.1Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-66.1-42.6175.300000111.4I33 H35 E39 A40 F41 M103 I107 T151I33-A37 WeakPolarHBondContact O-CB 3.18Å; I33-A37 PolarHBondContact O-N 2.87Å; H35-A37 VanDerWaalsContact C-N 3.31Å; H35-A37 PolarHBondContact O-N 2.77Å; A37-E39 VanDerWaalsContact C-N 3.33Å; A37-E39 PolarHBondContact O-N 3.29Å; A37-A40 PolarHBondContact O-N 2.78Å; A37-F41 HydrophobicContact CB-CD2 4.44Å; A37-F41 HydrophobicContact CB-CE2 4.1Å; A37-F41 WeakPolarHBondContact O-CD2 3.32Å; A37-F41 VanDerWaalsContact O-CG 3.31Å; A37-F41 WeakPolarHBondContact O-CG 3.3Å; A37-F41 PolarHBondContact O-N 3.04Å; A37-M103 HydrophobicContact CB-CB 4.11Å; A37-M103 HydrophobicContact CB-CG 4.01Å; A37-M103 HydrophobicContact CB-SD 3.66Å; A37-I107 HydrophobicContact CB-CD1 4.21Å; A37-I107 HydrophobicContact CB-CG1 4.35Å; A37-T151 HydrophobicContact CB-CG2 3.86Å
38R98.5Very high98.2Very high49 Ų4941.8 Ų41.819%0.18522%0.216CC..Hα-helixtrans-58.2-45173.7-79.1-169.8-59.1-90.17.3111.8C34 H35 F41 S42 T151 Y154C34-R38 WeakPolarHBondContact O-CB 3.48Å; C34-R38 WeakPolarHBondContact O-CG 3.41Å; C34-R38 PolarHBondContact O-N 2.78Å; C34-R38 PolarHBondContact O-NH1 2.88Å; H35-R38 PolarHBondContact O-N 2.88Å; R38-F41 PolarHBondContact O-N 3.1Å; R38-S42 VanDerWaalsContact O-CB 3.26Å; R38-S42 WeakPolarHBondContact O-CB 3.5Å; R38-S42 PolarHBondContact O-N 2.79Å; R38-S42 PolarHBondContact O-OG 2.83Å; R38-T151 HydrophobicContact CG-CG2 3.81Å; R38-T151 PolarHBondContact NH1-OG1 2.87Å; R38-Y154 HydrophobicContact CB-CD2 4.37Å; R38-Y154 HydrophobicContact CG-CD2 3.77Å; R38-Y154 HydrophobicContact CG-CE2 4.11Å; R38-Y154 HydrophobicContact CG-CG 4.42Å
39E98.2Very high98.3Very high86 Ų8640.1 Ų40.140%0.40221%0.209SC..Hα-helixtrans-60-48.5175.5-66-174.8144.100111.1H35 F36 A37 F41 S42 N43H35-E39 IonicContact CE1-OE1 3.74Å; H35-E39 IonicContact NE2-OE1 3.72Å; H35-E39 PolarHBondContact O-N 3.03Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.31Å; F36-E39 PolarHBondContact O-N 2.81Å; A37-E39 VanDerWaalsContact C-N 3.33Å; A37-E39 PolarHBondContact O-N 3.29Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 PolarHBondContact O-N 3.5Å; E39-S42 PolarHBondContact O-N 2.86Å; E39-N43 WeakPolarHBondContact O-CB 3.33Å; E39-N43 VanDerWaalsContact O-CG 3.23Å; E39-N43 PolarHBondContact O-N 2.75Å; E39-N43 PolarHBondContact O-ND2 3.01Å
40A98.5Very high98.4Very high14 Ų1438.9 Ų38.912%0.11620%0.203CC..Hα-helixtrans-60.4-38.3179.300000113F36 A37 K106F36-A40 WeakPolarHBondContact O-CB 3.25Å; F36-A40 PolarHBondContact O-N 3.45Å; A37-A40 PolarHBondContact O-N 2.78Å; A40-K106 HydrophobicContact CB-CG 4.18Å
41F98.7Very high98.4Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-75.1-36.4175.9-65.8-46.2000113.1A37 R38 E39 N43 Q44 K106 L115 T151 Y154 M155 R187A37-F41 HydrophobicContact CB-CD2 4.44Å; A37-F41 HydrophobicContact CB-CE2 4.1Å; A37-F41 WeakPolarHBondContact O-CD2 3.32Å; A37-F41 VanDerWaalsContact O-CG 3.31Å; A37-F41 WeakPolarHBondContact O-CG 3.3Å; A37-F41 PolarHBondContact O-N 3.04Å; R38-F41 PolarHBondContact O-N 3.1Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 PolarHBondContact O-N 3.5Å; F41-N43 VanDerWaalsContact C-N 3.27Å; F41-N43 PolarHBondContact O-N 2.68Å; F41-Q44 PolarHBondContact O-N 2.94Å; F41-K106 HydrophobicContact CD1-CG 4.4Å; F41-K106 HydrophobicContact CE1-CD 4.19Å; F41-K106 HydrophobicContact CE1-CG 3.85Å; F41-K106 HydrophobicContact CZ-CG 4.28Å; F41-L115 HydrophobicContact CE1-CB 4.06Å; F41-L115 HydrophobicContact CE1-CD1 4.19Å; F41-L115 HydrophobicContact CZ-CB 4.36Å; F41-L115 HydrophobicContact CZ-CD1 3.94Å; F41-T151 HydrophobicContact CD2-CG2 4.35Å; F41-T151 HydrophobicContact CE2-CG2 4.17Å; F41-Y154 WeakPolarHBondContact CB-O 3.24Å; F41-M155 HydrophobicContact CD1-CG 4.42Å; F41-M155 HydrophobicContact CD2-CG 3.95Å; F41-M155 HydrophobicContact CE1-CE 4.36Å; F41-M155 HydrophobicContact CE1-CG 4.22Å; F41-M155 HydrophobicContact CE2-CG 3.73Å; F41-M155 HydrophobicContact CE2-SD 4.4Å; F41-M155 HydrophobicContact CG-CG 4.3Å; F41-M155 HydrophobicContact CZ-CE 4.01Å; F41-M155 HydrophobicContact CZ-CG 3.87Å; F41-M155 HydrophobicContact CZ-SD 4.33Å; F41-R187 PolarHBondContact O-NH1 3.36Å
42S98Very high98.4Very high54 Ų5441.8 Ų41.838%0.37822%0.215SC..Hα-helixtrans-65.2-34.3177.6-59.10000111.7R38 E39 Q44 Y154R38-S42 VanDerWaalsContact O-CB 3.26Å; R38-S42 WeakPolarHBondContact O-CB 3.5Å; R38-S42 PolarHBondContact O-N 2.79Å; R38-S42 PolarHBondContact O-OG 2.83Å; E39-S42 PolarHBondContact O-N 2.86Å; S42-Q44 PolarHBondContact O-N 3.04Å; S42-Y154 WeakPolarHBondContact OG-CD1 3.39Å; S42-Y154 WeakPolarHBondContact OG-CE1 3.44Å
43N97.8Very high98.4Very high140 Ų14042.4 Ų42.475%0.74922%0.22SC*.THydrogen-bonded Turntrans-75.7-2.2178-69.9-20.4000114.2E39 F41E39-N43 WeakPolarHBondContact O-CB 3.33Å; E39-N43 VanDerWaalsContact O-CG 3.23Å; E39-N43 PolarHBondContact O-N 2.75Å; E39-N43 PolarHBondContact O-ND2 3.01Å; F41-N43 VanDerWaalsContact C-N 3.27Å; F41-N43 PolarHBondContact O-N 2.68Å
44Q98Very high98.4Very high24 Ų2442.5 Ų42.511%0.11222%0.221CC..SBendtrans-111.4149.4174.1-68.4-168.4-45.400110.5F41 S42 L48 K106 P110 R187F41-Q44 PolarHBondContact O-N 2.94Å; S42-Q44 PolarHBondContact O-N 3.04Å; Q44-L48 HydrophobicContact CB-CD2 3.64Å; Q44-L48 HydrophobicContact CG-CD2 4.16Å; Q44-K106 VanDerWaalsContact OE1-CE 3.29Å; Q44-P110 PolarHBondContact NE2-O 3.35Å; Q44-R187 PolarHBondContact O-NH1 3.17Å; Q44-R187 PolarHBondContact O-NH2 3.39Å
45P98Very high98.4Very high66 Ų6642.6 Ų42.643%0.42922%0.221SC..  trans-66.3162.917227.8-35.8000112.7L47P45-L47 VanDerWaalsContact C-N 3.26Å; P45-L47 WeakPolarHBondContact CG-O 3.47Å; P45-L47 PolarHBondContact O-N 2.99Å
46P98Very high98.5Very high9 Ų938.8 Ų38.86%0.05820%0.203CC..SBendtrans-65.8-26.4174-12.724.7000113.9P156 L157 A158 I182 R183 I185P46-P156 WeakPolarHBondContact O-CB 3.32Å; P46-L157 PolarHBondContact O-N 3.3Å; P46-A158 PolarHBondContact O-N 3.38Å; P46-I182 WeakPolarHBondContact CB-O 3.47Å; P46-R183 WeakPolarHBondContact CD-O 3.33Å; P46-I185 HydrophobicContact CB-CB 4.16Å; P46-I185 HydrophobicContact CG-CB 4.32Å; P46-I185 WeakPolarHBondContact CG-O 3.44Å
47L98.8Very high98.5Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-104.3109.6167.1177.766.2000108.6P45 A158 L160 L166 F179 I182 R183P45-L47 VanDerWaalsContact C-N 3.26Å; P45-L47 WeakPolarHBondContact CG-O 3.47Å; P45-L47 PolarHBondContact O-N 2.99Å; L47-A158 WeakPolarHBondContact CA-O 3.25Å; L47-A158 HydrophobicContact CD1-CB 3.79Å; L47-L160 HydrophobicContact CD1-CB 4.36Å; L47-L166 HydrophobicContact CD1-CD1 4.33Å; L47-F179 HydrophobicContact CD2-CB 3.76Å; L47-F179 HydrophobicContact CD2-CD1 4.13Å; L47-F179 HydrophobicContact CD2-CG 4.21Å; L47-I182 HydrophobicContact CB-CB 4.08Å; L47-I182 HydrophobicContact CB-CG2 3.73Å; L47-I182 HydrophobicContact CD1-CD1 4.38Å; L47-I182 HydrophobicContact CD1-CG2 4.34Å; L47-R183 HydrophobicContact CB-CG 3.97Å; L47-R183 HydrophobicContact CD2-CG 3.9Å
48L98.8Very high98.5Very high4 Ų436 Ų362%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-77.1133.8176.9-58.1177.9000110.9Q44 I50 F114 L116 P156 A158 A159 L160Q44-L48 HydrophobicContact CB-CD2 3.64Å; Q44-L48 HydrophobicContact CG-CD2 4.16Å; L48-I50 HydrophobicContact CB-CD1 4.03Å; L48-I50 HydrophobicContact CB-CG1 4.02Å; L48-I50 HydrophobicContact CD1-CD1 4.33Å; L48-F114 HydrophobicContact CD1-CB 3.92Å; L48-F114 HydrophobicContact CD1-CD1 4.05Å; L48-F114 HydrophobicContact CD1-CG 4.42Å; L48-L116 HydrophobicContact CD1-CD2 3.8Å; L48-L116 HydrophobicContact CG-CD2 4.35Å; L48-P156 HydrophobicContact CD1-CB 4.06Å; L48-P156 HydrophobicContact CD1-CG 4.01Å; L48-P156 HydrophobicContact CD2-CB 4.04Å; L48-P156 HydrophobicContact CD2-CG 3.7Å; L48-P156 HydrophobicContact CG-CB 3.77Å; L48-P156 HydrophobicContact CG-CG 3.9Å; L48-A158 PolarHBondContact N-O 2.74Å; L48-A159 HydrophobicContact CB-CB 3.85Å; L48-A159 CarbonylContact O-C 3.53Å; L48-A159 WeakPolarHBondContact O-CA 3.3Å; L48-L160 PolarHBondContact O-N 2.98Å
49E98.6Very high98.5Very high118 Ų11833.8 Ų33.855%0.55118%0.183SC*.EExtended strand (participates in β ladder)trans-103.8118170.7-69.2172.1178.600108.2R183E49-R183 IonicContact OE1-CZ 3.92Å; E49-R183 IonicContact OE1-NE 3.48Å; E49-R183 PolarHBondContact OE1-NE 3.02Å; E49-R183 VanDerWaalsContact OE1-NE 3.11Å; E49-R183 IonicContact OE1-NH2 3.61Å; E49-R183 PolarHBondContact OE1-NH2 2.87Å
50I98.7Very high98.5Very high1 Ų129.7 Ų29.71%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-128.5115-166.6-58.7175.9000109.7L48 V54 L83 F114 A159 L160 V161 G162L48-I50 HydrophobicContact CB-CD1 4.03Å; L48-I50 HydrophobicContact CB-CG1 4.02Å; L48-I50 HydrophobicContact CD1-CD1 4.33Å; I50-V54 HydrophobicContact CG2-CB 4.4Å; I50-V54 HydrophobicContact CG2-CG2 4.31Å; I50-L83 HydrophobicContact CD1-CB 4.46Å; I50-L83 HydrophobicContact CD1-CD1 3.89Å; I50-L83 HydrophobicContact CD1-CD2 4.24Å; I50-L83 HydrophobicContact CD1-CG 4.43Å; I50-F114 HydrophobicContact CD1-CB 3.77Å; I50-F114 HydrophobicContact CD1-CD1 3.78Å; I50-F114 HydrophobicContact CD1-CD2 3.73Å; I50-F114 HydrophobicContact CD1-CE1 4.26Å; I50-F114 HydrophobicContact CD1-CE2 4.24Å; I50-F114 HydrophobicContact CD1-CG 3.48Å; I50-F114 VanDerWaalsContact CD1-CG 3.48Å; I50-F114 HydrophobicContact CD1-CZ 4.48Å; I50-F114 HydrophobicContact CG1-CD1 4.04Å; I50-F114 HydrophobicContact CG1-CD2 4.29Å; I50-F114 HydrophobicContact CG1-CE1 4.04Å; I50-F114 HydrophobicContact CG1-CE2 4.31Å; I50-F114 HydrophobicContact CG1-CG 4.16Å; I50-F114 HydrophobicContact CG1-CZ 4.18Å; I50-F114 HydrophobicContact CG2-CD2 4.18Å; I50-F114 HydrophobicContact CG2-CE2 3.83Å; I50-F114 HydrophobicContact CG2-CZ 4.19Å; I50-A159 HydrophobicContact CD1-CB 3.79Å; I50-L160 PolarHBondContact N-O 3.17Å; I50-V161 HydrophobicContact CB-CG2 4.25Å; I50-V161 CarbonylContact O-C 3.4Å; I50-V161 VanDerWaalsContact O-CA 3.24Å; I50-V161 WeakPolarHBondContact O-CA 3.29Å; I50-G162 PolarHBondContact O-N 2.88Å
51E98.4Very high98.5Very high124 Ų12429.2 Ų29.258%0.57916%0.159SC*.PPolyproline II helixtrans-70.3145.3169.9-65.8-52.9125.900111.5R81E51-R81 PolarHBondContact O-NH1 2.76Å; E51-R81 PolarHBondContact O-NH2 3.11Å
52P98.4Very high98.4Very high18 Ų1829.2 Ų29.212%0.11716%0.159CC..SBendtrans-67.6164.5165.3-13.326.7000112.7V161 V281 N282 M285P52-V161 HydrophobicContact CG-CG1 4.2Å; P52-V281 HydrophobicContact CB-CG1 4.23Å; P52-V281 HydrophobicContact CG-CG1 4.14Å; P52-N282 WeakPolarHBondContact CB-O 3.25Å; P52-M285 HydrophobicContact CG-SD 3.36Å; P52-M285 WeakPolarHBondContact CG-SD 3.45Å
53P98.4Very high98.4Very high46 Ų4628 Ų2830%0.29915%0.148SC..SBendcis-79.6146.9-0.833.1-34.1000112.2V281 K283P53-V281 CarbonylContact C-O 3.58Å; P53-V281 WeakPolarHBondContact CA-O 3.47Å; P53-K283 HydrophobicContact CG-CG 4.46Å
54V98.8Very high98.3Very high1 Ų121.3 Ų21.31%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-149.7142.7178.668.60000111I50 I56 R81 L83 V161 V281I50-V54 HydrophobicContact CG2-CB 4.4Å; I50-V54 HydrophobicContact CG2-CG2 4.31Å; V54-I56 HydrophobicContact CG1-CG1 4.2Å; V54-R81 HydrophobicContact CB-CB 4.5Å; V54-R81 HydrophobicContact CG2-CB 4.24Å; V54-L83 HydrophobicContact CG2-CB 3.98Å; V54-V161 HydrophobicContact CG1-CG1 3.71Å; V54-V161 HydrophobicContact CG1-CG2 4.21Å; V54-V281 HydrophobicContact CG1-CB 4.24Å; V54-V281 PolarHBondContact N-O 3.2Å; V54-V281 PolarHBondContact O-N 2.86Å
55N98.7Very high98.2Very high3 Ų324 Ų242%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-94119.9168.8-58.8-53.8000109.3R81 Y82 L83 M278 M279 H280N55-R81 PolarHBondContact N-O 2.88Å; N55-Y82 HydrophobicContact CB-CD1 3.73Å; N55-Y82 HydrophobicContact CB-CE1 3.78Å; N55-Y82 HydrophobicContact CB-CG 4.49Å; N55-Y82 CarbonylContact O-C 3.53Å; N55-Y82 VanDerWaalsContact O-CA 3.29Å; N55-Y82 WeakPolarHBondContact O-CA 3.14Å; N55-L83 PolarHBondContact O-N 2.9Å; N55-M278 HydrophobicContact CB-SD 4.44Å; N55-M279 CarbonylContact C-O 3.55Å; N55-M279 WeakPolarHBondContact CA-O 3.29Å; N55-H280 PolarHBondContact OD1-ND1 2.9Å
56I98.9Very high98.1Very high0 Ų022.2 Ų22.20%011%0.111CC..EExtended strand (participates in β ladder)trans-95.1126.1177.3-50.8-176.1000108.9V54 L83 L85 V161 A241 L262 M278 M279 V281V54-I56 HydrophobicContact CG1-CG1 4.2Å; I56-L83 CarbonylContact C-O 3.56Å; I56-L83 VanDerWaalsContact CA-O 3.29Å; I56-L83 WeakPolarHBondContact CA-O 3.47Å; I56-L83 HydrophobicContact CD1-CD2 4.34Å; I56-L83 HydrophobicContact CG1-CB 4.39Å; I56-L83 HydrophobicContact CG1-CD2 4.27Å; I56-L83 HydrophobicContact CG2-CD2 4.33Å; I56-L83 HydrophobicContact CG2-CG 4.5Å; I56-L85 HydrophobicContact CG2-CD1 3.82Å; I56-L85 HydrophobicContact CG2-CD2 3.86Å; I56-L85 HydrophobicContact CG2-CG 3.86Å; I56-V161 HydrophobicContact CD1-CG2 4.2Å; I56-A241 HydrophobicContact CD1-CB 4.48Å; I56-L262 HydrophobicContact CB-CD1 4.09Å; I56-L262 HydrophobicContact CG2-CD1 3.78Å; I56-M278 CarbonylContact O-C 3.49Å; I56-M278 WeakPolarHBondContact O-CA 3.4Å; I56-M278 WeakPolarHBondContact O-CB 3.35Å; I56-M279 HydrophobicContact CB-CB 4.43Å; I56-M279 HydrophobicContact CD1-CE 3.76Å; I56-M279 PolarHBondContact N-O 2.92Å; I56-M279 PolarHBondContact O-N 2.74Å; I56-V281 HydrophobicContact CD1-CG2 3.89Å; I56-V281 HydrophobicContact CG1-CG2 4.38Å
57C98.8Very high98.1Very high0 Ų021.8 Ų21.80%011%0.108CC..EExtended strand (participates in β ladder)trans-124.6136.7-174.1-51.70000109.9L70 L83 F84 L85C57-L70 HydrophobicContact CB-CD1 4.12Å; C57-L83 PolarHBondContact N-O 3.06Å; C57-F84 HydrophobicContact CB-CD1 3.55Å; C57-F84 HydrophobicContact CB-CE1 3.6Å; C57-F84 HydrophobicContact CB-CG 4.04Å; C57-F84 HydrophobicContact CB-CZ 4.13Å; C57-F84 WeakPolarHBondContact O-CA 3.34Å; C57-L85 WeakPolarHBondContact O-CG 3.48Å; C57-L85 PolarHBondContact O-N 2.85Å
58G98.7Very high98Very high0 Ų022.5 Ų22.50%011%0.112CC..  trans-85.9-150.2173.400000112.3S264G58-S264 PolarHBondContact N-OG 2.65Å
59D98.7Very high97.8Very high2 Ų225.1 Ų25.11%0.01112%0.122CC..BIsolated β-bridgetrans-60.3145.7-173.2-51.3-165.9000112.6H61 D87 H169 A243 H244 F263 S264 A265D59-H61 IonicContact OD1-NE2 2.72Å; D59-D87 HydrophobicContact CB-CB 4.06Å; D59-H169 IonicContact OD1-CE1 3.58Å; D59-H169 IonicContact OD2-CE1 3.69Å; D59-H169 PolarHBondContact OD2-CE1 3.17Å; D59-A243 WeakPolarHBondContact OD2-CB 3.43Å; D59-H244 WeakPolarHBondContact OD1-CA 3.32Å; D59-H244 PolarHBondContact OD1-N 2.89Å; D59-H244 PolarHBondContact OD2-N 3.09Å; D59-F263 HydrophobicContact CB-CD2 3.85Å; D59-F263 HydrophobicContact CB-CE2 3.49Å; D59-F263 VanDerWaalsContact CB-CE2 3.49Å; D59-F263 HydrophobicContact CB-CZ 3.84Å; D59-F263 VanDerWaalsContact CG-CE2 3.45Å; D59-F263 WeakPolarHBondContact OD1-CE2 3.46Å; D59-S264 CarbonylContact O-C 3.47Å; D59-S264 VanDerWaalsContact O-C 3.28Å; D59-S264 WeakPolarHBondContact O-CA 3.43Å; D59-S264 WeakPolarHBondContact O-CB 3.42Å; D59-S264 PolarHBondContact O-N 3.33Å; D59-A265 PolarHBondContact O-N 2.82Å; D59-A265 VanDerWaalsContact O-N 3.11Å
60I98.6Very high97.7Very high0 Ų019.7 Ų19.70%010%0.097CC..  trans-123.5-37.1177.8-60.7-64.9000112.2G62 Q63 L67 L70 F84 D87 V98I60-G62 PolarHBondContact O-N 2.81Å; I60-Q63 WeakPolarHBondContact O-CB 3.12Å; I60-Q63 PolarHBondContact O-N 2.81Å; I60-L67 HydrophobicContact CD1-CD1 4.35Å; I60-L67 HydrophobicContact CG2-CB 4.14Å; I60-L70 HydrophobicContact CD1-CD1 4.36Å; I60-F84 HydrophobicContact CD1-CE1 4.09Å; I60-F84 HydrophobicContact CG1-CD1 4.15Å; I60-F84 HydrophobicContact CG1-CE1 3.97Å; I60-D87 PolarHBondContact N-O 3.33Å; I60-V98 HydrophobicContact CB-CG1 4.32Å; I60-V98 HydrophobicContact CG2-CB 4.47Å; I60-V98 HydrophobicContact CG2-CG1 3.72Å; I60-V98 HydrophobicContact CG2-CG2 3.83Å
61H98.3Very high97.7Very high3 Ų319.7 Ų19.71%0.01410%0.096CC..THydrogen-bonded Turntrans46.655.2172.7-78.7-57.1000114.9D59 Q63 D87 V89 D90 R91 G92 H120 Y268D59-H61 IonicContact OD1-NE2 2.72Å; H61-Q63 PolarHBondContact O-N 2.88Å; H61-D87 IonicContact CE1-OD2 3.44Å; H61-D87 PolarHBondContact CE1-OD2 3.18Å; H61-D87 PolarHBondContact N-O 3.42Å; H61-D87 IonicContact NE2-OD2 2.78Å; H61-V89 PolarHBondContact ND1-O 2.85Å; H61-D90 CarbonylContact C-O 3.47Å; H61-D90 VanDerWaalsContact CA-O 3.32Å; H61-D90 WeakPolarHBondContact CA-O 3.18Å; H61-D90 WeakPolarHBondContact CB-O 3.39Å; H61-D90 VanDerWaalsContact O-O 3.13Å; H61-R91 HydrophobicContact CB-CB 4.15Å; H61-R91 HydrophobicContact CB-CG 4.44Å; H61-G92 WeakPolarHBondContact O-CA 3.43Å; H61-G92 PolarHBondContact O-N 3.33Å; H61-H120 AromaticContact CE1-CD2 3.54Å; H61-H120 AromaticContact CE1-CE1 3.95Å; H61-H120 AromaticContact CE1-CG 3.69Å; H61-H120 AromaticContact CE1-ND1 3.94Å; H61-H120 AromaticContact CE1-NE2 3.72Å; H61-Y268 HydrophobicContact CB-CE2 3.8Å; H61-Y268 AromaticContact CD2-CE2 3.23Å; H61-Y268 WeakPolarHBondContact CD2-CE2 3.31Å; H61-Y268 AromaticContact CD2-CZ 3.6Å; H61-Y268 PolarHBondContact CD2-OH 3.01Å; H61-Y268 VanDerWaalsContact CD2-OH 3.31Å; H61-Y268 AromaticContact CG-CE2 3.72Å; H61-Y268 AromaticContact NE2-CE2 3.98Å; H61-Y268 AromaticContact NE2-CZ 3.86Å; H61-Y268 PolarHBondContact NE2-OH 2.81Å; H61-Y268 VanDerWaalsContact NE2-OH 3.12Å
62G97.7Very high97.6Very high0 Ų018.5 Ų18.50%09%0.094CC..THydrogen-bonded Turntrans64.88.7176.900000115.8I60 F64 Y88 M94I60-G62 PolarHBondContact O-N 2.81Å; G62-F64 PolarHBondContact O-N 3.41Å; G62-Y88 PolarHBondContact N-O 3.23Å; G62-M94 WeakPolarHBondContact O-CB 3.29Å; G62-M94 PolarHBondContact O-N 3Å
63Q96.8Very high97.4Very high28 Ų2822 Ų2213%0.13111%0.112CC..  trans-79.969.4173.5-69-174.5-127.600111.1I60 H61 E65 D66 L67 P266I60-Q63 WeakPolarHBondContact O-CB 3.12Å; I60-Q63 PolarHBondContact O-N 2.81Å; H61-Q63 PolarHBondContact O-N 2.88Å; Q63-E65 VanDerWaalsContact C-N 3.34Å; Q63-E65 PolarHBondContact O-N 2.99Å; Q63-D66 HydrophobicContact CB-CB 4.17Å; Q63-D66 PolarHBondContact NE2-OD2 3.33Å; Q63-D66 PolarHBondContact O-N 2.96Å; Q63-D66 VanDerWaalsContact O-N 3.07Å; Q63-L67 PolarHBondContact O-N 2.68Å; Q63-P266 PolarHBondContact NE2-O 3.37Å
64F96.9Very high97.2Very high1 Ų120 Ų200%0.00410%0.1CC..Hα-helixtrans-58.9-40.2-172.9-173.5-111.7000113.9L13 Q16 V17 G62 D66 L67 I68 M94 E97 V98 L101L13-F64 VanDerWaalsContact O-CE1 3.3Å; L13-F64 WeakPolarHBondContact O-CE1 3.28Å; L13-F64 VanDerWaalsContact O-CZ 3.25Å; L13-F64 WeakPolarHBondContact O-CZ 3.31Å; Q16-F64 HydrophobicContact CB-CD1 4.36Å; Q16-F64 HydrophobicContact CB-CE1 3.95Å; V17-F64 HydrophobicContact CG2-CD1 4.05Å; V17-F64 HydrophobicContact CG2-CE1 3.82Å; G62-F64 PolarHBondContact O-N 3.41Å; F64-D66 PolarHBondContact O-N 3.25Å; F64-L67 HydrophobicContact CD2-CD2 4.29Å; F64-L67 HydrophobicContact CE2-CD2 4.45Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.14Å; F64-I68 HydrophobicContact CD1-CG1 4.34Å; F64-I68 HydrophobicContact CE1-CD1 4.33Å; F64-I68 HydrophobicContact CE1-CG1 3.99Å; F64-I68 HydrophobicContact CE2-CD1 4.15Å; F64-I68 HydrophobicContact CE2-CG1 4.46Å; F64-I68 HydrophobicContact CZ-CD1 3.89Å; F64-I68 HydrophobicContact CZ-CG1 4.06Å; F64-I68 WeakPolarHBondContact O-CG1 3.48Å; F64-I68 PolarHBondContact O-N 3.35Å; F64-M94 HydrophobicContact CB-CB 3.62Å; F64-M94 HydrophobicContact CB-CE 4.05Å; F64-M94 HydrophobicContact CB-CG 4.36Å; F64-M94 HydrophobicContact CB-SD 3.9Å; F64-M94 HydrophobicContact CD1-CE 3.68Å; F64-M94 HydrophobicContact CD1-SD 4.43Å; F64-M94 HydrophobicContact CE1-CE 4.49Å; F64-M94 HydrophobicContact CG-CE 4.11Å; F64-E97 HydrophobicContact CB-CB 4.41Å; F64-E97 HydrophobicContact CD1-CB 4.2Å; F64-E97 HydrophobicContact CD2-CB 3.5Å; F64-E97 VanDerWaalsContact CD2-CB 3.5Å; F64-E97 HydrophobicContact CE1-CB 4.33Å; F64-E97 HydrophobicContact CE2-CB 3.66Å; F64-E97 HydrophobicContact CG-CB 3.78Å; F64-E97 HydrophobicContact CZ-CB 4.07Å; F64-V98 HydrophobicContact CB-CG2 3.94Å; F64-V98 HydrophobicContact CD2-CG2 3.92Å; F64-V98 HydrophobicContact CG-CG2 4.46Å; F64-L101 HydrophobicContact CE2-CB 4.12Å; F64-L101 HydrophobicContact CE2-CD2 3.6Å; F64-L101 HydrophobicContact CE2-CG 4.49Å; F64-L101 HydrophobicContact CZ-CD2 3.92Å
65E95.4Very high97.2Very high81 Ų8128 Ų2838%0.37913%0.13SC..Hα-helixtrans-60.5-37.5177.5-63.2-177.5-165.800111.4V17 K20 Q63 I68 R69V17-E65 HydrophobicContact CG1-CG 4.38Å; K20-E65 VanDerWaalsContact CE-OE1 3.23Å; K20-E65 WeakPolarHBondContact CE-OE1 3.27Å; K20-E65 IonicContact NZ-OE1 3.83Å; K20-E65 PolarHBondContact NZ-OE1 3.32Å; Q63-E65 VanDerWaalsContact C-N 3.34Å; Q63-E65 PolarHBondContact O-N 2.99Å; E65-I68 PolarHBondContact O-N 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.26Å; E65-R69 PolarHBondContact O-N 3.39Å
66D95.7Very high97.1Very high27 Ų2731 Ų3114%0.14414%0.141CC..Hα-helixtrans-73.7-35.6177.8-64-56.9000112.5Q63 F64 I68 R69 L70 P266Q63-D66 HydrophobicContact CB-CB 4.17Å; Q63-D66 PolarHBondContact NE2-OD2 3.33Å; Q63-D66 PolarHBondContact O-N 2.96Å; Q63-D66 VanDerWaalsContact O-N 3.07Å; F64-D66 PolarHBondContact O-N 3.25Å; D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 2.79Å; D66-R69 WeakPolarHBondContact O-CB 3.46Å; D66-R69 PolarHBondContact O-N 3.34Å; D66-R69 IonicContact OD1-CZ 2.65Å; D66-R69 IonicContact OD1-NH1 3.47Å; D66-R69 PolarHBondContact OD1-NH1 2.65Å; D66-L70 PolarHBondContact O-N 3Å; D66-P266 HydrophobicContact CB-CG 4.23Å; D66-P266 WeakPolarHBondContact OD1-CG 3.39Å
67L97.6Very high97.1Very high0 Ų031.3 Ų31.30%014%0.144CC..Hα-helixtrans-57.6-43.8168.9175.864.8000111.6I60 Q63 F64 R69 L70 F71 F84 V98 L101 L102I60-L67 HydrophobicContact CD1-CD1 4.35Å; I60-L67 HydrophobicContact CG2-CB 4.14Å; Q63-L67 PolarHBondContact O-N 2.68Å; F64-L67 HydrophobicContact CD2-CD2 4.29Å; F64-L67 HydrophobicContact CE2-CD2 4.45Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.14Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-L70 WeakPolarHBondContact O-CB 3.4Å; L67-L70 PolarHBondContact O-N 2.75Å; L67-F71 HydrophobicContact CD1-CD2 4.41Å; L67-F71 HydrophobicContact CD1-CE1 4.34Å; L67-F71 HydrophobicContact CD1-CE2 3.77Å; L67-F71 HydrophobicContact CD1-CZ 3.73Å; L67-F71 HydrophobicContact CD2-CE2 4.24Å; L67-F71 HydrophobicContact CG-CD2 4.3Å; L67-F71 HydrophobicContact CG-CE2 3.82Å; L67-F71 HydrophobicContact CG-CZ 4.3Å; L67-F71 PolarHBondContact O-N 3.27Å; L67-F84 HydrophobicContact CD1-CE1 3.81Å; L67-F84 HydrophobicContact CD1-CZ 3.7Å; L67-V98 HydrophobicContact CD2-CB 4.4Å; L67-V98 HydrophobicContact CD2-CG1 4.19Å; L67-V98 HydrophobicContact CD2-CG2 4.23Å; L67-L101 HydrophobicContact CD2-CD2 4.29Å; L67-L102 HydrophobicContact CD1-CD2 4.14Å; L67-L102 HydrophobicContact CD2-CD2 4.36Å; L67-L102 HydrophobicContact CD2-CG 4.22Å
68I97.2Very high97Very high15 Ų1534.1 Ų34.18%0.07716%0.162CC..Hα-helixtrans-65.9-39177.2-63.1-44.9000111.2L14 V17 F64 E65 D66 L70 F71 N72 Y76 L101L14-I68 HydrophobicContact CD2-CD1 3.56Å; V17-I68 HydrophobicContact CG2-CB 4.07Å; V17-I68 HydrophobicContact CG2-CG1 3.58Å; V17-I68 HydrophobicContact CG2-CG2 4.16Å; F64-I68 HydrophobicContact CD1-CG1 4.34Å; F64-I68 HydrophobicContact CE1-CD1 4.33Å; F64-I68 HydrophobicContact CE1-CG1 3.99Å; F64-I68 HydrophobicContact CE2-CD1 4.15Å; F64-I68 HydrophobicContact CE2-CG1 4.46Å; F64-I68 HydrophobicContact CZ-CD1 3.89Å; F64-I68 HydrophobicContact CZ-CG1 4.06Å; F64-I68 WeakPolarHBondContact O-CG1 3.48Å; F64-I68 PolarHBondContact O-N 3.35Å; E65-I68 PolarHBondContact O-N 3.31Å; D66-I68 VanDerWaalsContact C-N 3.3Å; D66-I68 PolarHBondContact O-N 2.79Å; I68-L70 VanDerWaalsContact C-N 3.3Å; I68-L70 PolarHBondContact O-N 2.9Å; I68-F71 HydrophobicContact CD1-CD2 4.38Å; I68-F71 PolarHBondContact O-N 3.17Å; I68-N72 PolarHBondContact O-N 2.99Å; I68-N72 PolarHBondContact O-ND2 3.43Å; I68-Y76 WeakPolarHBondContact CG2-OH 3.34Å; I68-L101 HydrophobicContact CD1-CD2 3.55Å
69R95.3Very high97Very high60 Ų6038.8 Ų38.823%0.22619%0.19CC..Hα-helixtrans-61-40.3172.8-70.4169.966.3-153.50.4111.7E65 D66 L67 N72 N73 R293 H295E65-R69 WeakPolarHBondContact O-CG 3.26Å; E65-R69 PolarHBondContact O-N 3.39Å; D66-R69 WeakPolarHBondContact O-CB 3.46Å; D66-R69 PolarHBondContact O-N 3.34Å; D66-R69 IonicContact OD1-CZ 2.65Å; D66-R69 IonicContact OD1-NH1 3.47Å; D66-R69 PolarHBondContact OD1-NH1 2.65Å; L67-R69 VanDerWaalsContact C-N 3.34Å; R69-N72 PolarHBondContact O-N 3.44Å; R69-N73 PolarHBondContact O-N 3.49Å; R69-N73 VanDerWaalsContact O-N 3.11Å; R69-N73 PolarHBondContact O-ND2 2.82Å; R69-R293 PolarHBondContact NH1-O 3.33Å; R69-R293 PolarHBondContact NH2-O 2.85Å; R69-H295 VanDerWaalsContact CZ-CE1 3.49Å; R69-H295 PolarHBondContact NH1-ND1 3.38Å
70L96.7Very high97Very high4 Ų440 Ų402%0.02120%0.199CC..Hα-helixtrans-58.5-49.2175.6-168.5159.9000110.2C57 I60 D66 L67 I68 N72 N73 G74 Y82 F84 M278C57-L70 HydrophobicContact CB-CD1 4.12Å; I60-L70 HydrophobicContact CD1-CD1 4.36Å; D66-L70 PolarHBondContact O-N 3Å; L67-L70 WeakPolarHBondContact O-CB 3.4Å; L67-L70 PolarHBondContact O-N 2.75Å; I68-L70 VanDerWaalsContact C-N 3.3Å; I68-L70 PolarHBondContact O-N 2.9Å; L70-N72 PolarHBondContact O-N 2.84Å; L70-N73 PolarHBondContact O-N 3.48Å; L70-G74 PolarHBondContact O-N 3.49Å; L70-Y82 HydrophobicContact CD2-CD1 4.09Å; L70-Y82 HydrophobicContact CD2-CE1 3.49Å; L70-Y82 VanDerWaalsContact CD2-CE1 3.49Å; L70-F84 HydrophobicContact CD1-CE1 4.48Å; L70-F84 HydrophobicContact CD2-CZ 4.45Å; L70-M278 HydrophobicContact CD2-SD 3.8Å; L70-M278 HydrophobicContact CG-SD 3.9Å
71F97.5Very high97Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-66.5-34.3176.6-66.4-34.6000114.3L67 I68 N73 R75 Y76 Y82 F84 L101 L102 Y105 M113L67-F71 HydrophobicContact CD1-CD2 4.41Å; L67-F71 HydrophobicContact CD1-CE1 4.34Å; L67-F71 HydrophobicContact CD1-CE2 3.77Å; L67-F71 HydrophobicContact CD1-CZ 3.73Å; L67-F71 HydrophobicContact CD2-CE2 4.24Å; L67-F71 HydrophobicContact CG-CD2 4.3Å; L67-F71 HydrophobicContact CG-CE2 3.82Å; L67-F71 HydrophobicContact CG-CZ 4.3Å; L67-F71 PolarHBondContact O-N 3.27Å; I68-F71 HydrophobicContact CD1-CD2 4.38Å; I68-F71 PolarHBondContact O-N 3.17Å; F71-N73 VanDerWaalsContact C-N 3.25Å; F71-N73 PolarHBondContact O-N 3.14Å; F71-R75 CarbonylContact O-C 3.52Å; F71-R75 VanDerWaalsContact O-C 3.3Å; F71-R75 WeakPolarHBondContact O-CA 3.4Å; F71-R75 PolarHBondContact O-N 3.42Å; F71-Y76 HydrophobicContact CB-CD1 3.65Å; F71-Y76 HydrophobicContact CB-CD2 4.24Å; F71-Y76 HydrophobicContact CB-CE1 3.48Å; F71-Y76 VanDerWaalsContact CB-CE1 3.48Å; F71-Y76 HydrophobicContact CB-CE2 4.03Å; F71-Y76 HydrophobicContact CB-CG 4.06Å; F71-Y76 AromaticContact CD2-CD1 3.99Å; F71-Y76 HydrophobicContact CD2-CD1 3.99Å; F71-Y76 AromaticContact CD2-CE1 3.8Å; F71-Y76 HydrophobicContact CD2-CE1 3.8Å; F71-Y76 AromaticContact CG-CD1 3.98Å; F71-Y76 HydrophobicContact CG-CD1 3.98Å; F71-Y76 AromaticContact CG-CE1 4Å; F71-Y76 HydrophobicContact CG-CE1 4Å; F71-Y82 HydrophobicContact CD1-CE1 4.03Å; F71-Y82 HydrophobicContact CD1-CE2 4.07Å; F71-Y82 AromaticContact CD1-CZ 3.72Å; F71-Y82 HydrophobicContact CE1-CD1 4.24Å; F71-Y82 HydrophobicContact CE1-CD2 4.3Å; F71-Y82 HydrophobicContact CE1-CE1 4.14Å; F71-Y82 HydrophobicContact CE1-CE2 4.17Å; F71-Y82 HydrophobicContact CE1-CG 4.3Å; F71-F84 HydrophobicContact CE1-CE2 4.15Å; F71-F84 AromaticContact CE1-CZ 3.95Å; F71-F84 HydrophobicContact CE1-CZ 3.95Å; F71-F84 HydrophobicContact CZ-CE2 4.31Å; F71-F84 HydrophobicContact CZ-CZ 4.08Å; F71-L101 HydrophobicContact CE2-CD2 4.15Å; F71-L102 HydrophobicContact CZ-CD2 3.88Å; F71-Y105 HydrophobicContact CE2-CD2 4.39Å; F71-Y105 HydrophobicContact CE2-CE2 4.18Å; F71-M113 HydrophobicContact CE1-CE 4.11Å; F71-M113 HydrophobicContact CZ-CE 4Å
72N95.8Very high97Very high100 Ų10042.2 Ų42.254%0.53521%0.207SC..Hα-helixtrans-64.1-32.5175.3-70.5-22.4000112I68 R69 L70 Y76I68-N72 PolarHBondContact O-N 2.99Å; I68-N72 PolarHBondContact O-ND2 3.43Å; R69-N72 PolarHBondContact O-N 3.44Å; L70-N72 PolarHBondContact O-N 2.84Å; N72-Y76 VanDerWaalsContact OD1-CE2 3.24Å; N72-Y76 WeakPolarHBondContact OD1-CE2 3.36Å; N72-Y76 PolarHBondContact OD1-OH 2.64Å
73N94.3Very high97.1Very high92 Ų9242.2 Ų42.249%0.49221%0.207SC..Hα-helixtrans-89-33178.6-75-85.7000113.4R69 L70 F71 F292R69-N73 PolarHBondContact O-N 3.49Å; R69-N73 VanDerWaalsContact O-N 3.11Å; R69-N73 PolarHBondContact O-ND2 2.82Å; L70-N73 PolarHBondContact O-N 3.48Å; F71-N73 VanDerWaalsContact C-N 3.25Å; F71-N73 PolarHBondContact O-N 3.14Å; N73-F292 HydrophobicContact CB-CD1 4.41Å; N73-F292 HydrophobicContact CB-CE1 3.41Å; N73-F292 VanDerWaalsContact CB-CE1 3.41Å; N73-F292 HydrophobicContact CB-CZ 3.94Å
74G95.1Very high97.2Very high4 Ų440.9 Ų40.94%0.04120%0.201CC..Hα-helixtrans-91.9-9.5-179.900000114.7L70 S80 Y82L70-G74 PolarHBondContact O-N 3.49Å; G74-S80 WeakPolarHBondContact O-CB 3.38Å; G74-S80 PolarHBondContact O-OG 2.9Å; G74-Y82 WeakPolarHBondContact CA-OH 3.19Å; G74-Y82 PolarHBondContact O-OH 2.87Å; G74-Y82 VanDerWaalsContact O-OH 3.13Å
75R97.8Very high97.3Very high168 Ų16840.9 Ų40.963%0.63420%0.201SC*.  trans69.4141-168.1-51.4176.5177168.1-2.5113.5F71 T79 Y82F71-R75 CarbonylContact O-C 3.52Å; F71-R75 VanDerWaalsContact O-C 3.3Å; F71-R75 WeakPolarHBondContact O-CA 3.4Å; F71-R75 PolarHBondContact O-N 3.42Å; R75-T79 HydrophobicContact CB-CG2 4.03Å; R75-T79 HydrophobicContact CG-CG2 4.49Å; R75-Y82 PolarHBondContact N-OH 2.89Å; R75-Y82 WeakPolarHBondContact O-CE2 3.2Å; R75-Y82 VanDerWaalsContact O-CZ 3.29Å; R75-Y82 PolarHBondContact O-OH 2.83Å
76Y97.9Very high97.4Very high65 Ų6537 Ų3726%0.25518%0.183SC..  trans-67.8152.3-178.5-68.5-96000112.6L14 I68 F71 N72 T79 S80 Y105L14-Y76 HydrophobicContact CD2-CE1 4.06Å; I68-Y76 WeakPolarHBondContact CG2-OH 3.34Å; F71-Y76 HydrophobicContact CB-CD1 3.65Å; F71-Y76 HydrophobicContact CB-CD2 4.24Å; F71-Y76 HydrophobicContact CB-CE1 3.48Å; F71-Y76 VanDerWaalsContact CB-CE1 3.48Å; F71-Y76 HydrophobicContact CB-CE2 4.03Å; F71-Y76 HydrophobicContact CB-CG 4.06Å; F71-Y76 AromaticContact CD2-CD1 3.99Å; F71-Y76 HydrophobicContact CD2-CD1 3.99Å; F71-Y76 AromaticContact CD2-CE1 3.8Å; F71-Y76 HydrophobicContact CD2-CE1 3.8Å; F71-Y76 AromaticContact CG-CD1 3.98Å; F71-Y76 HydrophobicContact CG-CD1 3.98Å; F71-Y76 AromaticContact CG-CE1 4Å; F71-Y76 HydrophobicContact CG-CE1 4Å; N72-Y76 VanDerWaalsContact OD1-CE2 3.24Å; N72-Y76 WeakPolarHBondContact OD1-CE2 3.36Å; N72-Y76 PolarHBondContact OD1-OH 2.64Å; Y76-T79 VanDerWaalsContact O-CB 3.3Å; Y76-T79 WeakPolarHBondContact O-CB 3.12Å; Y76-T79 PolarHBondContact O-N 3.45Å; Y76-S80 PolarHBondContact O-N 2.85Å; Y76-Y105 HydrophobicContact CD1-CE2 4.41Å; Y76-Y105 AromaticContact CD1-CZ 3.97Å; Y76-Y105 WeakPolarHBondContact CD1-OH 3.36Å
77P97.9Very high97.6Very high8 Ų835.8 Ų35.85%0.05218%0.176CC..THydrogen-bonded Turntrans-59.2142165.5-18.329.7000111.3Y82 Y105 F109 M113P77-Y82 HydrophobicContact CG-CD2 3.95Å; P77-Y82 HydrophobicContact CG-CE2 4.17Å; P77-Y105 HydrophobicContact CB-CD1 3.77Å; P77-Y105 HydrophobicContact CB-CE1 4.25Å; P77-Y105 HydrophobicContact CB-CG 4.35Å; P77-Y105 HydrophobicContact CG-CD1 3.8Å; P77-Y105 HydrophobicContact CG-CD2 4.5Å; P77-Y105 HydrophobicContact CG-CE1 4.24Å; P77-Y105 HydrophobicContact CG-CG 3.95Å; P77-F109 HydrophobicContact CB-CD2 4.03Å; P77-M113 HydrophobicContact CG-CE 3.54Å
78P97.9Very high97.6Very high58 Ų5835.8 Ų35.838%0.37718%0.176SC..THydrogen-bonded Turncis-913.15.636.3-33.6000114.1S80 F109 H112P78-S80 PolarHBondContact O-N 3.27Å; P78-S80 VanDerWaalsContact O-N 3.16Å; P78-F109 HydrophobicContact CB-CD1 3.71Å; P78-F109 HydrophobicContact CB-CE1 3.89Å; P78-F109 HydrophobicContact CB-CG 4.1Å; P78-F109 HydrophobicContact CB-CZ 4.42Å; P78-F109 HydrophobicContact CG-CD1 4.02Å; P78-F109 HydrophobicContact CG-CE1 3.63Å; P78-F109 HydrophobicContact CG-CZ 3.98Å; P78-H112 PolarHBondContact O-CD2 2.85Å
79T98.3Very high97.7Very high99 Ų9935.1 Ų35.161%0.60717%0.173SC*.THydrogen-bonded Turntrans-60.1-27-179.8-54.40000112.5R75 Y76R75-T79 HydrophobicContact CB-CG2 4.03Å; R75-T79 HydrophobicContact CG-CG2 4.49Å; Y76-T79 VanDerWaalsContact O-CB 3.3Å; Y76-T79 WeakPolarHBondContact O-CB 3.12Å; Y76-T79 PolarHBondContact O-N 3.45Å
80S98.1Very high97.9Very high26 Ų2632.2 Ų32.218%0.18216%0.162CC..SBendtrans-137.3153.1171-67.80000111.4G74 Y76 P78G74-S80 WeakPolarHBondContact O-CB 3.38Å; G74-S80 PolarHBondContact O-OG 2.9Å; Y76-S80 PolarHBondContact O-N 2.85Å; P78-S80 PolarHBondContact O-N 3.27Å; P78-S80 VanDerWaalsContact O-N 3.16Å
81R98.7Very high97.9Very high51 Ų5136.9 Ų36.919%0.19218%0.179CC..  trans-99.6143.6-179.7-60.8175.262.9-149.4-7.7109.4E51 V54 N55 N111 H112E51-R81 PolarHBondContact O-NH1 2.76Å; E51-R81 PolarHBondContact O-NH2 3.11Å; V54-R81 HydrophobicContact CB-CB 4.5Å; V54-R81 HydrophobicContact CG2-CB 4.24Å; N55-R81 PolarHBondContact N-O 2.88Å; R81-N111 PolarHBondContact NE-O 3.2Å; R81-N111 VanDerWaalsContact NE-O 3.09Å; R81-H112 CarbonylContact C-O 3.13Å; R81-H112 VanDerWaalsContact CA-O 3.23Å; R81-H112 WeakPolarHBondContact CA-O 3.07Å; R81-H112 HydrophobicContact CG-CB 4.03Å
82Y98.9Very high97.8Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-133.3135.9-175-70-90.4000111.3N55 L70 F71 G74 R75 P77 F84 H112 M113 F114N55-Y82 HydrophobicContact CB-CD1 3.73Å; N55-Y82 HydrophobicContact CB-CE1 3.78Å; N55-Y82 HydrophobicContact CB-CG 4.49Å; N55-Y82 CarbonylContact O-C 3.53Å; N55-Y82 VanDerWaalsContact O-CA 3.29Å; N55-Y82 WeakPolarHBondContact O-CA 3.14Å; L70-Y82 HydrophobicContact CD2-CD1 4.09Å; L70-Y82 HydrophobicContact CD2-CE1 3.49Å; L70-Y82 VanDerWaalsContact CD2-CE1 3.49Å; F71-Y82 HydrophobicContact CD1-CE1 4.03Å; F71-Y82 HydrophobicContact CD1-CE2 4.07Å; F71-Y82 AromaticContact CD1-CZ 3.72Å; F71-Y82 HydrophobicContact CE1-CD1 4.24Å; F71-Y82 HydrophobicContact CE1-CD2 4.3Å; F71-Y82 HydrophobicContact CE1-CE1 4.14Å; F71-Y82 HydrophobicContact CE1-CE2 4.17Å; F71-Y82 HydrophobicContact CE1-CG 4.3Å; G74-Y82 WeakPolarHBondContact CA-OH 3.19Å; G74-Y82 PolarHBondContact O-OH 2.87Å; G74-Y82 VanDerWaalsContact O-OH 3.13Å; R75-Y82 PolarHBondContact N-OH 2.89Å; R75-Y82 WeakPolarHBondContact O-CE2 3.2Å; R75-Y82 VanDerWaalsContact O-CZ 3.29Å; R75-Y82 PolarHBondContact O-OH 2.83Å; P77-Y82 HydrophobicContact CG-CD2 3.95Å; P77-Y82 HydrophobicContact CG-CE2 4.17Å; Y82-F84 HydrophobicContact CD1-CE2 4.11Å; Y82-F84 HydrophobicContact CD1-CZ 4.45Å; Y82-F84 HydrophobicContact CG-CE2 4.16Å; Y82-H112 PolarHBondContact N-O 3.17Å; Y82-M113 HydrophobicContact CD2-CE 4.23Å; Y82-M113 HydrophobicContact CG-CE 4.29Å; Y82-F114 VanDerWaalsContact O-CD2 3.31Å; Y82-F114 WeakPolarHBondContact O-CD2 3.47Å; Y82-F114 PolarHBondContact O-N 2.71Å
83L98.9Very high97.7Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-115.7113.1164.8172.363.4000107.7I50 V54 N55 I56 C57 L85 F114 L116 A159 V161 C167I50-L83 HydrophobicContact CD1-CB 4.46Å; I50-L83 HydrophobicContact CD1-CD1 3.89Å; I50-L83 HydrophobicContact CD1-CD2 4.24Å; I50-L83 HydrophobicContact CD1-CG 4.43Å; V54-L83 HydrophobicContact CG2-CB 3.98Å; N55-L83 PolarHBondContact O-N 2.9Å; I56-L83 CarbonylContact C-O 3.56Å; I56-L83 VanDerWaalsContact CA-O 3.29Å; I56-L83 WeakPolarHBondContact CA-O 3.47Å; I56-L83 HydrophobicContact CD1-CD2 4.34Å; I56-L83 HydrophobicContact CG1-CB 4.39Å; I56-L83 HydrophobicContact CG1-CD2 4.27Å; I56-L83 HydrophobicContact CG2-CD2 4.33Å; I56-L83 HydrophobicContact CG2-CG 4.5Å; C57-L83 PolarHBondContact N-O 3.06Å; L83-L85 HydrophobicContact CD2-CD2 4.16Å; L83-L85 HydrophobicContact CG-CD2 4.1Å; L83-F114 WeakPolarHBondContact CA-O 3.1Å; L83-F114 HydrophobicContact CB-CB 4.42Å; L83-F114 HydrophobicContact CD1-CB 3.75Å; L83-L116 HydrophobicContact CD1-CD1 4.1Å; L83-L116 HydrophobicContact CD1-CD2 4.19Å; L83-L116 HydrophobicContact CD1-CG 3.79Å; L83-A159 HydrophobicContact CD1-CB 3.94Å; L83-A159 HydrophobicContact CD2-CB 3.8Å; L83-V161 HydrophobicContact CD2-CG2 3.91Å; L83-C167 HydrophobicContact CD2-CB 3.75Å
84F98.9Very high97.8Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-96.4138.6169.6-71.4-102.3000110.4C57 I60 L67 L70 F71 Y82 Y88 L102 M113 F114 L115 L116C57-F84 HydrophobicContact CB-CD1 3.55Å; C57-F84 HydrophobicContact CB-CE1 3.6Å; C57-F84 HydrophobicContact CB-CG 4.04Å; C57-F84 HydrophobicContact CB-CZ 4.13Å; C57-F84 WeakPolarHBondContact O-CA 3.34Å; I60-F84 HydrophobicContact CD1-CE1 4.09Å; I60-F84 HydrophobicContact CG1-CD1 4.15Å; I60-F84 HydrophobicContact CG1-CE1 3.97Å; L67-F84 HydrophobicContact CD1-CE1 3.81Å; L67-F84 HydrophobicContact CD1-CZ 3.7Å; L70-F84 HydrophobicContact CD1-CE1 4.48Å; L70-F84 HydrophobicContact CD2-CZ 4.45Å; F71-F84 HydrophobicContact CE1-CE2 4.15Å; F71-F84 AromaticContact CE1-CZ 3.95Å; F71-F84 HydrophobicContact CE1-CZ 3.95Å; F71-F84 HydrophobicContact CZ-CE2 4.31Å; F71-F84 HydrophobicContact CZ-CZ 4.08Å; Y82-F84 HydrophobicContact CD1-CE2 4.11Å; Y82-F84 HydrophobicContact CD1-CZ 4.45Å; Y82-F84 HydrophobicContact CG-CE2 4.16Å; F84-Y88 HydrophobicContact CB-CE1 3.51Å; F84-Y88 WeakPolarHBondContact CB-OH 3.44Å; F84-Y88 HydrophobicContact CD1-CE1 4.21Å; F84-Y88 HydrophobicContact CG-CE1 4.07Å; F84-Y88 PolarHBondContact O-OH 2.73Å; F84-L102 HydrophobicContact CD2-CD2 4.06Å; F84-L102 HydrophobicContact CE1-CD2 4.29Å; F84-L102 HydrophobicContact CE2-CD2 3.66Å; F84-L102 HydrophobicContact CZ-CD2 3.79Å; F84-M113 HydrophobicContact CD2-SD 3.85Å; F84-M113 HydrophobicContact CE2-CE 4.1Å; F84-M113 HydrophobicContact CE2-SD 3.83Å; F84-F114 PolarHBondContact N-O 2.91Å; F84-L115 HydrophobicContact CB-CD2 3.93Å; F84-L115 HydrophobicContact CD2-CD2 3.85Å; F84-L115 HydrophobicContact CG-CD2 4.14Å; F84-L116 WeakPolarHBondContact O-CB 3.17Å; F84-L116 PolarHBondContact O-N 2.86Å
85L98.9Very high98Very high0 Ų034 Ų340%017%0.171CC..  trans-91.21.2-172-60.2-177.5000114.1I56 C57 L83 L116 C167 H169 A243 L262I56-L85 HydrophobicContact CG2-CD1 3.82Å; I56-L85 HydrophobicContact CG2-CD2 3.86Å; I56-L85 HydrophobicContact CG2-CG 3.86Å; C57-L85 WeakPolarHBondContact O-CG 3.48Å; C57-L85 PolarHBondContact O-N 2.85Å; L83-L85 HydrophobicContact CD2-CD2 4.16Å; L83-L85 HydrophobicContact CG-CD2 4.1Å; L85-L116 HydrophobicContact CD2-CD1 3.8Å; L85-C167 HydrophobicContact CD2-CB 3.75Å; L85-H169 VanDerWaalsContact O-CA 3.24Å; L85-H169 WeakPolarHBondContact O-CA 3.36Å; L85-H169 WeakPolarHBondContact O-CB 3.34Å; L85-H169 PolarHBondContact O-ND1 3.28Å; L85-H169 VanDerWaalsContact O-ND1 3.12Å; L85-A243 HydrophobicContact CB-CB 3.72Å; L85-A243 HydrophobicContact CD1-CB 3.99Å; L85-A243 HydrophobicContact CG-CB 4.5Å; L85-L262 HydrophobicContact CD1-CD1 4.48Å
86G98.8Very high98Very high0 Ų026 Ų260%014%0.141CC..SBendtrans118.4-175.1-179.800000113.7Y88G86-Y88 PolarHBondContact N-OH 2.73Å
87D98.8Very high98Very high2 Ų222.9 Ų22.91%0.01113%0.129CC..  trans5861.3177-78.913.3000112.9D59 I60 H61 G118 N119 H120 E121 H169D59-D87 HydrophobicContact CB-CB 4.06Å; I60-D87 PolarHBondContact N-O 3.33Å; H61-D87 IonicContact CE1-OD2 3.44Å; H61-D87 PolarHBondContact CE1-OD2 3.18Å; H61-D87 PolarHBondContact N-O 3.42Å; H61-D87 IonicContact NE2-OD2 2.78Å; D87-G118 WeakPolarHBondContact OD1-CA 3.4Å; D87-N119 PolarHBondContact OD1-N 2.73Å; D87-N119 VanDerWaalsContact OD1-N 3.15Å; D87-N119 PolarHBondContact OD1-OD1 3.31Å; D87-N119 PolarHBondContact OD2-OD1 3.37Å; D87-H120 VanDerWaalsContact CG-CD2 3.45Å; D87-H120 WeakPolarHBondContact OD1-CB 3.44Å; D87-H120 IonicContact OD1-CD2 2.71Å; D87-H120 PolarHBondContact OD1-CD2 3.11Å; D87-H120 IonicContact OD1-CG 3.35Å; D87-H120 PolarHBondContact OD1-N 3.07Å; D87-H120 IonicContact OD2-CD2 3.65Å; D87-H120 PolarHBondContact OD2-CD2 3.35Å; D87-H120 IonicContact OD2-CG 3.11Å; D87-H120 IonicContact OD2-NE2 3.77Å; D87-E121 PolarHBondContact N-OE2 2.93Å; D87-H169 IonicContact OD1-CD2 3.57Å; D87-H169 IonicContact OD1-CE1 3.39Å; D87-H169 IonicContact OD1-NE2 2.77Å; D87-H169 PolarHBondContact OD1-NE2 2.95Å; D87-H169 IonicContact OD2-CE1 3.48Å; D87-H169 PolarHBondContact OD2-CE1 2.86Å; D87-H169 VanDerWaalsContact OD2-CE1 3.31Å; D87-H169 IonicContact OD2-NE2 3.32Å; D87-H169 PolarHBondContact OD2-NE2 3.22Å; D87-H169 VanDerWaalsContact OD2-NE2 3.11Å
88Y98.9Very high98Very high0 Ų022.5 Ų22.50%013%0.127CC..  trans-85.7-36.3179.2-50.1-67000112.1G62 F84 G86 V98 I99 L102 L115 L116 E121 M155G62-Y88 PolarHBondContact N-O 3.23Å; F84-Y88 HydrophobicContact CB-CE1 3.51Å; F84-Y88 WeakPolarHBondContact CB-OH 3.44Å; F84-Y88 HydrophobicContact CD1-CE1 4.21Å; F84-Y88 HydrophobicContact CG-CE1 4.07Å; F84-Y88 PolarHBondContact O-OH 2.73Å; G86-Y88 PolarHBondContact N-OH 2.73Å; Y88-V98 WeakPolarHBondContact O-CG1 3.02Å; Y88-I99 HydrophobicContact CD2-CD1 3.71Å; Y88-I99 HydrophobicContact CG-CD1 3.88Å; Y88-L102 HydrophobicContact CD1-CD1 3.28Å; Y88-L102 HydrophobicContact CE1-CD1 3.65Å; Y88-L102 HydrophobicContact CG-CD1 4.09Å; Y88-L115 HydrophobicContact CE1-CD2 4.17Å; Y88-L115 WeakPolarHBondContact OH-CA 3.47Å; Y88-L116 VanDerWaalsContact CE2-O 3.24Å; Y88-L116 WeakPolarHBondContact CE2-O 3.2Å; Y88-L116 PolarHBondContact OH-N 3.35Å; Y88-L116 PolarHBondContact OH-O 2.53Å; Y88-E121 HydrophobicContact CD2-CG 3.81Å; Y88-E121 WeakPolarHBondContact CD2-OE1 3.41Å; Y88-E121 HydrophobicContact CE2-CG 4.29Å; Y88-E121 PolarHBondContact N-OE1 3.26Å; Y88-M155 HydrophobicContact CD2-CE 4.39Å; Y88-M155 HydrophobicContact CE2-CE 3.53Å
89V98.8Very high98.1Very high0 Ų019.8 Ų19.80%011%0.109CC..SBendtrans-103.7177.4-173-54.60000111.5H61 I99 H120 E121 N126 F131 F152H61-V89 PolarHBondContact ND1-O 2.85Å; V89-I99 HydrophobicContact CG1-CB 4.1Å; V89-I99 HydrophobicContact CG1-CG1 4.42Å; V89-I99 HydrophobicContact CG1-CG2 4.31Å; V89-H120 HydrophobicContact CG2-CB 4.27Å; V89-H120 VanDerWaalsContact CG2-O 3.31Å; V89-H120 WeakPolarHBondContact CG2-O 3.43Å; V89-E121 PolarHBondContact N-OE1 3.45Å; V89-N126 HydrophobicContact CG2-CB 4.04Å; V89-F131 HydrophobicContact CB-CB 4.06Å; V89-F131 HydrophobicContact CB-CD1 4.11Å; V89-F131 HydrophobicContact CB-CD2 4.06Å; V89-F131 HydrophobicContact CB-CG 3.82Å; V89-F131 HydrophobicContact CG1-CD1 4.15Å; V89-F131 HydrophobicContact CG1-CD2 4.12Å; V89-F131 HydrophobicContact CG1-CE1 4.12Å; V89-F131 HydrophobicContact CG1-CE2 4.08Å; V89-F131 HydrophobicContact CG1-CG 4.15Å; V89-F131 HydrophobicContact CG1-CZ 4.07Å; V89-F131 HydrophobicContact CG2-CB 4.15Å; V89-F131 HydrophobicContact CG2-CD1 4.07Å; V89-F131 HydrophobicContact CG2-CG 4.13Å; V89-F152 HydrophobicContact CG1-CZ 4.18Å
90D98.4Very high98.1Very high0 Ų015 Ų150%08%0.08CC..SBendtrans68.4165.4-178.4-64.8-41.1000114.5H61 G92 S95 H120 N126 Y129 G130 F131H61-D90 CarbonylContact C-O 3.47Å; H61-D90 VanDerWaalsContact CA-O 3.32Å; H61-D90 WeakPolarHBondContact CA-O 3.18Å; H61-D90 WeakPolarHBondContact CB-O 3.39Å; H61-D90 VanDerWaalsContact O-O 3.13Å; D90-G92 PolarHBondContact O-N 3.11Å; D90-S95 PolarHBondContact N-OG 2.98Å; D90-S95 VanDerWaalsContact N-OG 3.1Å; D90-H120 VanDerWaalsContact CB-ND1 3.32Å; D90-H120 WeakPolarHBondContact CB-ND1 3.44Å; D90-H120 IonicContact OD2-CE1 2.76Å; D90-H120 IonicContact OD2-CG 3.97Å; D90-H120 IonicContact OD2-ND1 3.61Å; D90-H120 PolarHBondContact OD2-ND1 3.26Å; D90-N126 WeakPolarHBondContact OD1-CA 3.44Å; D90-N126 WeakPolarHBondContact OD2-CA 3.26Å; D90-N126 VanDerWaalsContact OD2-CB 3.29Å; D90-N126 WeakPolarHBondContact OD2-CB 3.43Å; D90-Y129 WeakPolarHBondContact CB-O 3.23Å; D90-Y129 VanDerWaalsContact CG-CB 3.5Å; D90-Y129 VanDerWaalsContact OD1-C 3.23Å; D90-G130 PolarHBondContact OD1-N 2.98Å; D90-G130 VanDerWaalsContact OD1-N 3.08Å; D90-F131 WeakPolarHBondContact OD1-CB 3.24Å; D90-F131 PolarHBondContact OD1-N 2.88Å
91R96.6Very high98.1Very high101 Ų10113.8 Ų13.838%0.3817%0.071SC..SBendtrans66.3-52.2176.5-44.9-71.5-162.6110.90.6115.1H61 Y129 Y268H61-R91 HydrophobicContact CB-CB 4.15Å; H61-R91 HydrophobicContact CB-CG 4.44Å; R91-Y129 PolarHBondContact N-O 3.1Å; R91-Y268 HydrophobicContact CB-CE2 4.24Å; R91-Y268 HydrophobicContact CG-CE2 4.32Å; R91-Y268 WeakPolarHBondContact CG-OH 3.45Å; R91-Y268 PolarHBondContact NH1-OH 3.43Å
92G95.2Very high98.1Very high16 Ų1611.4 Ų11.417%0.1656%0.062CC..SBendtrans-86.3167.2176.800000113.4H61 D90H61-G92 WeakPolarHBondContact O-CA 3.43Å; H61-G92 PolarHBondContact O-N 3.33Å; D90-G92 PolarHBondContact O-N 3.11Å
93P94Very high98.1Very high101 Ų10111.4 Ų11.466%0.6566%0.062SC*.SBendtrans-86.6-8.4-169.232.7-35.3000115
94M97Very high98.1Very high18 Ų1811.4 Ų11.49%0.0896%0.062CC..  trans-130.142.7-170.1-62.1-179.675.100111.8Q16 G62 F64 I96 E97 V98Q16-M94 HydrophobicContact CB-CE 3.68Å; G62-M94 WeakPolarHBondContact O-CB 3.29Å; G62-M94 PolarHBondContact O-N 3Å; F64-M94 HydrophobicContact CB-CB 3.62Å; F64-M94 HydrophobicContact CB-CE 4.05Å; F64-M94 HydrophobicContact CB-CG 4.36Å; F64-M94 HydrophobicContact CB-SD 3.9Å; F64-M94 HydrophobicContact CD1-CE 3.68Å; F64-M94 HydrophobicContact CD1-SD 4.43Å; F64-M94 HydrophobicContact CE1-CE 4.49Å; F64-M94 HydrophobicContact CG-CE 4.11Å; M94-I96 VanDerWaalsContact C-N 3.26Å; M94-I96 PolarHBondContact O-N 3.46Å; M94-E97 WeakPolarHBondContact CA-OE2 3.48Å; M94-E97 HydrophobicContact CB-CB 4.4Å; M94-E97 WeakPolarHBondContact CB-OE2 3.31Å; M94-E97 HydrophobicContact CE-CB 4.37Å; M94-E97 HydrophobicContact CE-CG 3.84Å; M94-E97 PolarHBondContact O-N 3.29Å; M94-V98 WeakPolarHBondContact O-CG2 3.24Å; M94-V98 PolarHBondContact O-N 2.89Å; M94-V98 VanDerWaalsContact O-N 3.1Å
95S98.4Very high98.1Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-60.7-38.4178.1-52.10000111.4D90 E97 V98 I99 F131 E134D90-S95 PolarHBondContact N-OG 2.98Å; D90-S95 VanDerWaalsContact N-OG 3.1Å; S95-E97 PolarHBondContact O-N 3.29Å; S95-V98 PolarHBondContact O-N 3.38Å; S95-I99 VanDerWaalsContact O-CG2 3.27Å; S95-I99 WeakPolarHBondContact O-CG2 3.35Å; S95-I99 PolarHBondContact O-N 3.23Å; S95-F131 VanDerWaalsContact CB-CD2 3.48Å; S95-E134 WeakPolarHBondContact CA-OE2 3.41Å; S95-E134 WeakPolarHBondContact CB-OE2 3.13Å; S95-E134 PolarHBondContact N-OE1 2.89Å; S95-E134 VanDerWaalsContact N-OE1 3.11Å; S95-E134 PolarHBondContact N-OE2 2.71Å; S95-E134 PolarHBondContact OG-OE2 3.11Å
96I98.3Very high98.1Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-60.2-47.6179.1-67.6172.9000110.2M94 L100 F131 E134 V135 Y139 M144M94-I96 VanDerWaalsContact C-N 3.26Å; M94-I96 PolarHBondContact O-N 3.46Å; I96-L100 HydrophobicContact CG2-CD1 3.56Å; I96-L100 HydrophobicContact CG2-CG 4.34Å; I96-L100 WeakPolarHBondContact O-CB 3.21Å; I96-L100 WeakPolarHBondContact O-CD1 3.1Å; I96-L100 WeakPolarHBondContact O-CG 3.32Å; I96-L100 PolarHBondContact O-N 2.84Å; I96-F131 HydrophobicContact CG1-CE2 3.82Å; I96-E134 WeakPolarHBondContact CB-OE1 3.41Å; I96-E134 HydrophobicContact CD1-CG 4.09Å; I96-E134 HydrophobicContact CG1-CG 4.33Å; I96-E134 WeakPolarHBondContact CG1-OE1 3.18Å; I96-E134 PolarHBondContact N-OE1 3.34Å; I96-V135 HydrophobicContact CD1-CG2 4Å; I96-V135 HydrophobicContact CG1-CG2 4.21Å; I96-Y139 HydrophobicContact CD1-CD2 3.86Å; I96-Y139 HydrophobicContact CD1-CE2 3.68Å; I96-Y139 HydrophobicContact CG2-CE2 4.4Å; I96-M144 HydrophobicContact CD1-CE 4.23Å; I96-M144 HydrophobicContact CG2-CE 4.16Å
97E98.3Very high98.1Very high1 Ų113.1 Ų13.11%0.0057%0.071CC..Hα-helixtrans-64.5-45.1178.3-70.882.7171.200112.4L13 Q16 P24 F64 M94 S95 L101 R138L13-E97 HydrophobicContact CD2-CB 4.45Å; L13-E97 HydrophobicContact CD2-CG 4.26Å; Q16-E97 HydrophobicContact CB-CG 4.01Å; Q16-E97 HydrophobicContact CG-CG 3.85Å; P24-E97 HydrophobicContact CG-CG 4.2Å; F64-E97 HydrophobicContact CB-CB 4.41Å; F64-E97 HydrophobicContact CD1-CB 4.2Å; F64-E97 HydrophobicContact CD2-CB 3.5Å; F64-E97 VanDerWaalsContact CD2-CB 3.5Å; F64-E97 HydrophobicContact CE1-CB 4.33Å; F64-E97 HydrophobicContact CE2-CB 3.66Å; F64-E97 HydrophobicContact CG-CB 3.78Å; F64-E97 HydrophobicContact CZ-CB 4.07Å; M94-E97 WeakPolarHBondContact CA-OE2 3.48Å; M94-E97 HydrophobicContact CB-CB 4.4Å; M94-E97 WeakPolarHBondContact CB-OE2 3.31Å; M94-E97 HydrophobicContact CE-CB 4.37Å; M94-E97 HydrophobicContact CE-CG 3.84Å; M94-E97 PolarHBondContact O-N 3.29Å; S95-E97 PolarHBondContact O-N 3.29Å; E97-L101 VanDerWaalsContact O-CB 3.24Å; E97-L101 WeakPolarHBondContact O-CB 3.29Å; E97-L101 PolarHBondContact O-N 2.79Å; E97-R138 VanDerWaalsContact CD-NH1 3.27Å; E97-R138 IonicContact OE1-CZ 3.37Å; E97-R138 VanDerWaalsContact OE1-CZ 3.29Å; E97-R138 IonicContact OE1-NH1 3.91Å; E97-R138 PolarHBondContact OE1-NH1 2.87Å; E97-R138 VanDerWaalsContact OE1-NH1 3.07Å; E97-R138 IonicContact OE1-NH2 3.34Å; E97-R138 PolarHBondContact OE1-NH2 2.57Å; E97-R138 IonicContact OE2-CZ 2.65Å; E97-R138 IonicContact OE2-NH1 3.44Å; E97-R138 PolarHBondContact OE2-NH1 3.4Å; E97-R138 IonicContact OE2-NH2 2.82Å
98V98.7Very high98.1Very high0 Ų017.6 Ų17.60%09%0.087CC..Hα-helixtrans-55.8-57.5178.71660000110I60 F64 L67 Y88 M94 S95 L100 L101 L102I60-V98 HydrophobicContact CB-CG1 4.32Å; I60-V98 HydrophobicContact CG2-CB 4.47Å; I60-V98 HydrophobicContact CG2-CG1 3.72Å; I60-V98 HydrophobicContact CG2-CG2 3.83Å; F64-V98 HydrophobicContact CB-CG2 3.94Å; F64-V98 HydrophobicContact CD2-CG2 3.92Å; F64-V98 HydrophobicContact CG-CG2 4.46Å; L67-V98 HydrophobicContact CD2-CB 4.4Å; L67-V98 HydrophobicContact CD2-CG1 4.19Å; L67-V98 HydrophobicContact CD2-CG2 4.23Å; Y88-V98 WeakPolarHBondContact O-CG1 3.02Å; M94-V98 WeakPolarHBondContact O-CG2 3.24Å; M94-V98 PolarHBondContact O-N 2.89Å; M94-V98 VanDerWaalsContact O-N 3.1Å; S95-V98 PolarHBondContact O-N 3.38Å; V98-L100 PolarHBondContact O-N 3.13Å; V98-L101 PolarHBondContact O-N 3.47Å; V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 VanDerWaalsContact O-CG 3.32Å; V98-L102 WeakPolarHBondContact O-CG 3.27Å; V98-L102 PolarHBondContact O-N 2.8Å; V98-L102 VanDerWaalsContact O-N 3.07Å
99I98.8Very high98Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-70.7-36.3-171.7-16449.9000112Y88 V89 S95 M103 F131 F148 F152Y88-I99 HydrophobicContact CD2-CD1 3.71Å; Y88-I99 HydrophobicContact CG-CD1 3.88Å; V89-I99 HydrophobicContact CG1-CB 4.1Å; V89-I99 HydrophobicContact CG1-CG1 4.42Å; V89-I99 HydrophobicContact CG1-CG2 4.31Å; S95-I99 VanDerWaalsContact O-CG2 3.27Å; S95-I99 WeakPolarHBondContact O-CG2 3.35Å; S95-I99 PolarHBondContact O-N 3.23Å; I99-M103 HydrophobicContact CD1-CG 4.43Å; I99-M103 HydrophobicContact CG1-CE 4.1Å; I99-M103 HydrophobicContact CG1-SD 4.49Å; I99-M103 HydrophobicContact CG2-CE 4.42Å; I99-M103 WeakPolarHBondContact O-CB 3.44Å; I99-M103 VanDerWaalsContact O-CG 3.27Å; I99-M103 WeakPolarHBondContact O-CG 3.36Å; I99-M103 PolarHBondContact O-N 2.97Å; I99-F131 HydrophobicContact CG2-CZ 4.38Å; I99-F148 HydrophobicContact CG2-CD1 4.06Å; I99-F148 HydrophobicContact CG2-CE1 3.62Å; I99-F148 HydrophobicContact CG2-CZ 4.26Å; I99-F152 HydrophobicContact CD1-CE1 3.85Å; I99-F152 HydrophobicContact CD1-CZ 4.39Å; I99-F152 HydrophobicContact CG1-CE1 3.46Å; I99-F152 VanDerWaalsContact CG1-CE1 3.46Å; I99-F152 HydrophobicContact CG1-CZ 3.71Å
100L98.7Very high98Very high0 Ų021.1 Ų21.10%011%0.108CC..Hα-helixtrans-65-45.1175.1-73.1174.8000111.8L13 V25 V30 I33 I96 V98 L102 M103 M104 F148L13-L100 HydrophobicContact CD1-CB 3.94Å; L13-L100 HydrophobicContact CD2-CB 4.23Å; L13-L100 HydrophobicContact CD2-CD1 4.32Å; V25-L100 HydrophobicContact CB-CD1 4.45Å; V25-L100 HydrophobicContact CG1-CD1 4.29Å; V25-L100 HydrophobicContact CG2-CD1 3.4Å; V25-L100 VanDerWaalsContact CG2-CD1 3.4Å; V30-L100 HydrophobicContact CG2-CD1 4.32Å; V30-L100 HydrophobicContact CG2-CD2 4.43Å; I33-L100 HydrophobicContact CB-CD2 4.25Å; I33-L100 HydrophobicContact CD1-CD2 3.69Å; I33-L100 HydrophobicContact CG2-CD2 3.98Å; I96-L100 HydrophobicContact CG2-CD1 3.56Å; I96-L100 HydrophobicContact CG2-CG 4.34Å; I96-L100 WeakPolarHBondContact O-CB 3.21Å; I96-L100 WeakPolarHBondContact O-CD1 3.1Å; I96-L100 WeakPolarHBondContact O-CG 3.32Å; I96-L100 PolarHBondContact O-N 2.84Å; V98-L100 PolarHBondContact O-N 3.13Å; L100-L102 PolarHBondContact O-N 2.63Å; L100-M103 HydrophobicContact CD2-CE 3.89Å; L100-M103 PolarHBondContact O-N 3.41Å; L100-M104 WeakPolarHBondContact O-CB 3.5Å; L100-M104 WeakPolarHBondContact O-CG 3.36Å; L100-M104 PolarHBondContact O-N 3.16Å; L100-F148 HydrophobicContact CD2-CE1 3.84Å; L100-F148 HydrophobicContact CD2-CZ 3.96Å; L100-F148 HydrophobicContact CG-CE1 4.19Å; L100-F148 HydrophobicContact CG-CZ 4.11Å
101L98.7Very high97.9Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-63.7-43.2-179.7-176.864.1000111.3K10 L13 L14 F64 L67 I68 F71 E97 V98 M104 Y105K10-L101 HydrophobicContact CG-CD1 4.21Å; L13-L101 HydrophobicContact CB-CD1 4.31Å; L13-L101 HydrophobicContact CD1-CB 4.27Å; L13-L101 HydrophobicContact CD1-CD1 4.43Å; L14-L101 HydrophobicContact CD2-CD1 4.21Å; L14-L101 HydrophobicContact CD2-CD2 3.88Å; L14-L101 HydrophobicContact CG-CD1 4.47Å; F64-L101 HydrophobicContact CE2-CB 4.12Å; F64-L101 HydrophobicContact CE2-CD2 3.6Å; F64-L101 HydrophobicContact CE2-CG 4.49Å; F64-L101 HydrophobicContact CZ-CD2 3.92Å; L67-L101 HydrophobicContact CD2-CD2 4.29Å; I68-L101 HydrophobicContact CD1-CD2 3.55Å; F71-L101 HydrophobicContact CE2-CD2 4.15Å; E97-L101 VanDerWaalsContact O-CB 3.24Å; E97-L101 WeakPolarHBondContact O-CB 3.29Å; E97-L101 PolarHBondContact O-N 2.79Å; V98-L101 PolarHBondContact O-N 3.47Å; L101-M104 WeakPolarHBondContact O-CB 3.37Å; L101-M104 PolarHBondContact O-N 3.06Å; L101-Y105 HydrophobicContact CD1-CD2 4.08Å; L101-Y105 HydrophobicContact CD1-CE2 3.59Å; L101-Y105 HydrophobicContact CD2-CE2 4.34Å; L101-Y105 HydrophobicContact CG-CD2 4.04Å; L101-Y105 HydrophobicContact CG-CE2 3.81Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 3.46Å; L101-Y105 PolarHBondContact O-N 3.4Å
102L98.9Very high98Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-62.3-46.6176.3-70175.9000111.7L67 F71 F84 Y88 V98 L100 M104 Y105 K106 M113 L115L67-L102 HydrophobicContact CD1-CD2 4.14Å; L67-L102 HydrophobicContact CD2-CD2 4.36Å; L67-L102 HydrophobicContact CD2-CG 4.22Å; F71-L102 HydrophobicContact CZ-CD2 3.88Å; F84-L102 HydrophobicContact CD2-CD2 4.06Å; F84-L102 HydrophobicContact CE1-CD2 4.29Å; F84-L102 HydrophobicContact CE2-CD2 3.66Å; F84-L102 HydrophobicContact CZ-CD2 3.79Å; Y88-L102 HydrophobicContact CD1-CD1 3.28Å; Y88-L102 HydrophobicContact CE1-CD1 3.65Å; Y88-L102 HydrophobicContact CG-CD1 4.09Å; V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 VanDerWaalsContact O-CG 3.32Å; V98-L102 WeakPolarHBondContact O-CG 3.27Å; V98-L102 PolarHBondContact O-N 2.8Å; V98-L102 VanDerWaalsContact O-N 3.07Å; L100-L102 PolarHBondContact O-N 2.63Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.09Å; L102-Y105 PolarHBondContact O-N 3.19Å; L102-K106 WeakPolarHBondContact O-CB 3.35Å; L102-K106 PolarHBondContact O-N 2.76Å; L102-M113 HydrophobicContact CD2-CE 4.28Å; L102-M113 HydrophobicContact CD2-SD 4.15Å; L102-L115 HydrophobicContact CB-CD1 3.95Å; L102-L115 HydrophobicContact CB-CD2 4.07Å; L102-L115 HydrophobicContact CD1-CD2 4.32Å; L102-L115 HydrophobicContact CD2-CD2 4.24Å; L102-L115 HydrophobicContact CG-CD2 4.45Å
103M98.8Very high98.2Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-62.6-37.4175.3-74.3-170.7-6100112.2I33 A37 I99 L100 K106 I107 F148 T151I33-M103 HydrophobicContact CG2-CB 3.89Å; I33-M103 HydrophobicContact CG2-CE 4.02Å; A37-M103 HydrophobicContact CB-CB 4.11Å; A37-M103 HydrophobicContact CB-CG 4.01Å; A37-M103 HydrophobicContact CB-SD 3.66Å; I99-M103 HydrophobicContact CD1-CG 4.43Å; I99-M103 HydrophobicContact CG1-CE 4.1Å; I99-M103 HydrophobicContact CG1-SD 4.49Å; I99-M103 HydrophobicContact CG2-CE 4.42Å; I99-M103 WeakPolarHBondContact O-CB 3.44Å; I99-M103 VanDerWaalsContact O-CG 3.27Å; I99-M103 WeakPolarHBondContact O-CG 3.36Å; I99-M103 PolarHBondContact O-N 2.97Å; L100-M103 HydrophobicContact CD2-CE 3.89Å; L100-M103 PolarHBondContact O-N 3.41Å; M103-K106 WeakPolarHBondContact O-CB 3.35Å; M103-K106 PolarHBondContact O-N 3.26Å; M103-I107 WeakPolarHBondContact O-CB 3.38Å; M103-I107 WeakPolarHBondContact O-CD1 3.41Å; M103-I107 WeakPolarHBondContact O-CG1 3.35Å; M103-I107 PolarHBondContact O-N 3.1Å; M103-F148 HydrophobicContact CE-CD1 4.03Å; M103-F148 HydrophobicContact CE-CE1 3.73Å; M103-T151 HydrophobicContact SD-CG2 3.87Å
104M98.7Very high98.4Very high0 Ų019.3 Ų19.30%09%0.094CC..Hα-helixtrans-61.3-46175.4-75.1-72.4-74.800111.6M1 W6 I9 L13 I33 L100 L101 L102 K106 I107 R108M1-M104 HydrophobicContact CE-SD 3.79Å; M1-M104 HydrophobicContact SD-CE 4.01Å; M1-M104 HydrophobicContact SD-SD 3.75Å; W6-M104 HydrophobicContact CB-CE 4.29Å; W6-M104 HydrophobicContact CG-CE 3.87Å; W6-M104 PolarHBondContact NE1-O 2.97Å; W6-M104 WeakPolarHBondContact O-CE 3.29Å; I9-M104 HydrophobicContact CB-CE 3.6Å; I9-M104 HydrophobicContact CD1-CE 4.44Å; I9-M104 HydrophobicContact CG2-CE 3.65Å; I9-M104 HydrophobicContact CG2-CG 4.44Å; I9-M104 HydrophobicContact CG2-SD 4.17Å; L13-M104 HydrophobicContact CD1-CG 4.3Å; I33-M104 HydrophobicContact CD1-CG 4.27Å; I33-M104 HydrophobicContact CD1-SD 3.96Å; I33-M104 HydrophobicContact CG1-CG 4.4Å; I33-M104 HydrophobicContact CG1-SD 3.67Å; I33-M104 HydrophobicContact CG2-CG 4.42Å; I33-M104 HydrophobicContact CG2-SD 4.41Å; L100-M104 WeakPolarHBondContact O-CB 3.5Å; L100-M104 WeakPolarHBondContact O-CG 3.36Å; L100-M104 PolarHBondContact O-N 3.16Å; L101-M104 WeakPolarHBondContact O-CB 3.37Å; L101-M104 PolarHBondContact O-N 3.06Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.09Å; M104-K106 VanDerWaalsContact C-N 3.34Å; M104-I107 PolarHBondContact O-N 2.86Å; M104-R108 PolarHBondContact O-N 3.2Å; M104-R108 VanDerWaalsContact O-N 3.15Å
105Y98.8Very high98.5Very high7 Ų718.4 Ų18.43%0.0279%0.089CC..Hα-helixtrans-65.2-37.2173.6-77.9-63000112.3W6 K10 F71 Y76 P77 L101 L102 R108 F109 M113W6-Y105 HydrophobicContact CH2-CE1 4.29Å; W6-Y105 HydrophobicContact CZ2-CD1 4.06Å; W6-Y105 HydrophobicContact CZ2-CE1 4.14Å; K10-Y105 HydrophobicContact CD-CE1 4.3Å; F71-Y105 HydrophobicContact CE2-CD2 4.39Å; F71-Y105 HydrophobicContact CE2-CE2 4.18Å; Y76-Y105 HydrophobicContact CD1-CE2 4.41Å; Y76-Y105 AromaticContact CD1-CZ 3.97Å; Y76-Y105 WeakPolarHBondContact CD1-OH 3.36Å; P77-Y105 HydrophobicContact CB-CD1 3.77Å; P77-Y105 HydrophobicContact CB-CE1 4.25Å; P77-Y105 HydrophobicContact CB-CG 4.35Å; P77-Y105 HydrophobicContact CG-CD1 3.8Å; P77-Y105 HydrophobicContact CG-CD2 4.5Å; P77-Y105 HydrophobicContact CG-CE1 4.24Å; P77-Y105 HydrophobicContact CG-CG 3.95Å; L101-Y105 HydrophobicContact CD1-CD2 4.08Å; L101-Y105 HydrophobicContact CD1-CE2 3.59Å; L101-Y105 HydrophobicContact CD2-CE2 4.34Å; L101-Y105 HydrophobicContact CG-CD2 4.04Å; L101-Y105 HydrophobicContact CG-CE2 3.81Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 3.46Å; L101-Y105 PolarHBondContact O-N 3.4Å; L102-Y105 PolarHBondContact O-N 3.19Å; Y105-R108 PolarHBondContact O-N 3.11Å; Y105-F109 AromaticContact CD1-CD2 3.95Å; Y105-F109 HydrophobicContact CD1-CD2 3.95Å; Y105-F109 HydrophobicContact CD1-CE2 4.02Å; Y105-F109 HydrophobicContact CE1-CE2 4.36Å; Y105-F109 WeakPolarHBondContact O-CA 3.29Å; Y105-F109 PolarHBondContact O-N 3.24Å; Y105-M113 HydrophobicContact CG-CE 4.39Å
106K98.7Very high98.5Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-58.3-48.1174.1176.762.3-179.8175.30112.3A40 F41 Q44 L102 M103 M104 R108 F109 P110 M113 L115A40-K106 HydrophobicContact CB-CG 4.18Å; F41-K106 HydrophobicContact CD1-CG 4.4Å; F41-K106 HydrophobicContact CE1-CD 4.19Å; F41-K106 HydrophobicContact CE1-CG 3.85Å; F41-K106 HydrophobicContact CZ-CG 4.28Å; Q44-K106 VanDerWaalsContact OE1-CE 3.29Å; L102-K106 WeakPolarHBondContact O-CB 3.35Å; L102-K106 PolarHBondContact O-N 2.76Å; M103-K106 WeakPolarHBondContact O-CB 3.35Å; M103-K106 PolarHBondContact O-N 3.26Å; M104-K106 VanDerWaalsContact C-N 3.34Å; K106-R108 PolarHBondContact O-N 3.18Å; K106-F109 CarbonylContact O-C 3.42Å; K106-P110 PolarHBondContact NZ-O 3.29Å; K106-P110 WeakPolarHBondContact O-CA 3.44Å; K106-P110 VanDerWaalsContact O-N 3.15Å; K106-M113 HydrophobicContact CB-CG 4.14Å; K106-M113 WeakPolarHBondContact CD-O 3.24Å; K106-M113 PolarHBondContact NZ-O 3.12Å; K106-L115 HydrophobicContact CB-CD1 4.07Å
107I98.4Very high98.6Very high30 Ų3018.5 Ų18.515%0.1549%0.09CC..Hα-helixtrans-62.2-45.1-179.5-69159.1000110.5M1 I33 F36 A37 M103 M104M1-I107 HydrophobicContact CB-CG2 4.09Å; M1-I107 HydrophobicContact CE-CD1 4.13Å; I33-I107 HydrophobicContact CG2-CD1 3.93Å; I33-I107 WeakPolarHBondContact O-CD1 3.29Å; F36-I107 HydrophobicContact CB-CD1 3.76Å; F36-I107 HydrophobicContact CB-CG1 3.87Å; F36-I107 HydrophobicContact CB-CG2 3.93Å; F36-I107 HydrophobicContact CG-CG2 4.5Å; A37-I107 HydrophobicContact CB-CD1 4.21Å; A37-I107 HydrophobicContact CB-CG1 4.35Å; M103-I107 WeakPolarHBondContact O-CB 3.38Å; M103-I107 WeakPolarHBondContact O-CD1 3.41Å; M103-I107 WeakPolarHBondContact O-CG1 3.35Å; M103-I107 PolarHBondContact O-N 3.1Å; M104-I107 PolarHBondContact O-N 2.86Å
108R98.2Very high98.6Very high95 Ų9518.5 Ų18.536%0.3589%0.09SC..Hα-helixtrans-81.9-29.9-173.9-177.962.1-176.880.2-3.6114.1W6 M104 Y105 K106W6-R108 HydrophobicContact CD2-CB 4.04Å; W6-R108 HydrophobicContact CD2-CG 3.92Å; W6-R108 HydrophobicContact CE3-CG 4.29Å; W6-R108 HydrophobicContact CG-CB 4.3Å; W6-R108 HydrophobicContact CG-CG 4.46Å; W6-R108 HydrophobicContact CH2-CG 4.05Å; W6-R108 HydrophobicContact CZ2-CB 3.67Å; W6-R108 HydrophobicContact CZ2-CG 3.69Å; W6-R108 HydrophobicContact CZ3-CG 4.36Å; W6-R108 VanDerWaalsContact NE1-CB 3.26Å; M104-R108 PolarHBondContact O-N 3.2Å; M104-R108 VanDerWaalsContact O-N 3.15Å; Y105-R108 PolarHBondContact O-N 3.11Å; K106-R108 PolarHBondContact O-N 3.18Å
109F98.1Very high98.6Very high27 Ų2718.6 Ų18.612%0.1189%0.09CC..  trans-135.465.6-177.5-48.1-71.4000110.7W6 P77 P78 Y105 K106 N111 H112 M113W6-F109 AromaticContact CH2-CE2 3.75Å; W6-F109 HydrophobicContact CH2-CE2 3.75Å; W6-F109 HydrophobicContact CH2-CZ 4.17Å; W6-F109 AromaticContact CZ2-CE2 3.82Å; W6-F109 HydrophobicContact CZ2-CE2 3.82Å; P77-F109 HydrophobicContact CB-CD2 4.03Å; P78-F109 HydrophobicContact CB-CD1 3.71Å; P78-F109 HydrophobicContact CB-CE1 3.89Å; P78-F109 HydrophobicContact CB-CG 4.1Å; P78-F109 HydrophobicContact CB-CZ 4.42Å; P78-F109 HydrophobicContact CG-CD1 4.02Å; P78-F109 HydrophobicContact CG-CE1 3.63Å; P78-F109 HydrophobicContact CG-CZ 3.98Å; Y105-F109 AromaticContact CD1-CD2 3.95Å; Y105-F109 HydrophobicContact CD1-CD2 3.95Å; Y105-F109 HydrophobicContact CD1-CE2 4.02Å; Y105-F109 HydrophobicContact CE1-CE2 4.36Å; Y105-F109 WeakPolarHBondContact O-CA 3.29Å; Y105-F109 PolarHBondContact O-N 3.24Å; K106-F109 CarbonylContact O-C 3.42Å; F109-N111 PolarHBondContact O-N 2.9Å; F109-H112 HydrophobicContact CB-CB 3.9Å; F109-H112 PolarHBondContact O-N 3.03Å; F109-M113 PolarHBondContact O-N 3.09Å
110P97.8Very high98.6Very high48 Ų4818.9 Ų18.931%0.3129%0.092SC..THydrogen-bonded Turntrans-60.5-22.7-172.323-34.6000114.5Q44 K106Q44-P110 PolarHBondContact NE2-O 3.35Å; K106-P110 PolarHBondContact NZ-O 3.29Å; K106-P110 WeakPolarHBondContact O-CA 3.44Å; K106-P110 VanDerWaalsContact O-N 3.15Å
111N97.5Very high98.6Very high107 Ų10718.9 Ų18.957%0.5729%0.092SC*.THydrogen-bonded Turntrans-95.31.4177.5-59.3-21.3000113.7R81 F109 F114R81-N111 PolarHBondContact NE-O 3.2Å; R81-N111 VanDerWaalsContact NE-O 3.09Å; F109-N111 PolarHBondContact O-N 2.9Å; N111-F114 VanDerWaalsContact C-CZ 3.44Å; N111-F114 WeakPolarHBondContact O-CE2 3.19Å; N111-F114 WeakPolarHBondContact O-CZ 3.23Å
112H98.5Very high98.6Very high62 Ų6219 Ų1929%0.2879%0.092SC..THydrogen-bonded Turntrans-121.2-19177.2-59.367.1000112.9P78 R81 Y82 F109P78-H112 PolarHBondContact O-CD2 2.85Å; R81-H112 CarbonylContact C-O 3.13Å; R81-H112 VanDerWaalsContact CA-O 3.23Å; R81-H112 WeakPolarHBondContact CA-O 3.07Å; R81-H112 HydrophobicContact CG-CB 4.03Å; Y82-H112 PolarHBondContact N-O 3.17Å; F109-H112 HydrophobicContact CB-CB 3.9Å; F109-H112 PolarHBondContact O-N 3.03Å
113M98.7Very high98.5Very high0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-120.4113.1175.6-178.858.96700108.9F71 P77 Y82 F84 L102 Y105 K106 F109 L115F71-M113 HydrophobicContact CE1-CE 4.11Å; F71-M113 HydrophobicContact CZ-CE 4Å; P77-M113 HydrophobicContact CG-CE 3.54Å; Y82-M113 HydrophobicContact CD2-CE 4.23Å; Y82-M113 HydrophobicContact CG-CE 4.29Å; F84-M113 HydrophobicContact CD2-SD 3.85Å; F84-M113 HydrophobicContact CE2-CE 4.1Å; F84-M113 HydrophobicContact CE2-SD 3.83Å; L102-M113 HydrophobicContact CD2-CE 4.28Å; L102-M113 HydrophobicContact CD2-SD 4.15Å; Y105-M113 HydrophobicContact CG-CE 4.39Å; K106-M113 HydrophobicContact CB-CG 4.14Å; K106-M113 WeakPolarHBondContact CD-O 3.24Å; K106-M113 PolarHBondContact NZ-O 3.12Å; F109-M113 PolarHBondContact O-N 3.09Å; M113-L115 HydrophobicContact CG-CD2 4.14Å; M113-L115 HydrophobicContact CG-CG 4.22Å; M113-L115 HydrophobicContact SD-CD2 3.7Å; M113-L115 HydrophobicContact SD-CG 4.41Å
114F98.9Very high98.4Very high10 Ų1024.9 Ų24.94%0.04412%0.123CC..EExtended strand (participates in β ladder)trans-116.2128.3179.2-54.3-81.9000108.2L48 I50 Y82 L83 F84 N111L48-F114 HydrophobicContact CD1-CB 3.92Å; L48-F114 HydrophobicContact CD1-CD1 4.05Å; L48-F114 HydrophobicContact CD1-CG 4.42Å; I50-F114 HydrophobicContact CD1-CB 3.77Å; I50-F114 HydrophobicContact CD1-CD1 3.78Å; I50-F114 HydrophobicContact CD1-CD2 3.73Å; I50-F114 HydrophobicContact CD1-CE1 4.26Å; I50-F114 HydrophobicContact CD1-CE2 4.24Å; I50-F114 HydrophobicContact CD1-CG 3.48Å; I50-F114 VanDerWaalsContact CD1-CG 3.48Å; I50-F114 HydrophobicContact CD1-CZ 4.48Å; I50-F114 HydrophobicContact CG1-CD1 4.04Å; I50-F114 HydrophobicContact CG1-CD2 4.29Å; I50-F114 HydrophobicContact CG1-CE1 4.04Å; I50-F114 HydrophobicContact CG1-CE2 4.31Å; I50-F114 HydrophobicContact CG1-CG 4.16Å; I50-F114 HydrophobicContact CG1-CZ 4.18Å; I50-F114 HydrophobicContact CG2-CD2 4.18Å; I50-F114 HydrophobicContact CG2-CE2 3.83Å; I50-F114 HydrophobicContact CG2-CZ 4.19Å; Y82-F114 VanDerWaalsContact O-CD2 3.31Å; Y82-F114 WeakPolarHBondContact O-CD2 3.47Å; Y82-F114 PolarHBondContact O-N 2.71Å; L83-F114 WeakPolarHBondContact CA-O 3.1Å; L83-F114 HydrophobicContact CB-CB 4.42Å; L83-F114 HydrophobicContact CD1-CB 3.75Å; F84-F114 PolarHBondContact N-O 2.91Å; N111-F114 VanDerWaalsContact C-CZ 3.44Å; N111-F114 WeakPolarHBondContact O-CE2 3.19Å; N111-F114 WeakPolarHBondContact O-CZ 3.23Å
115L98.9Very high98.4Very high0 Ų025.6 Ų25.60%013%0.127CC..EExtended strand (participates in β ladder)trans-128114.1-174.9-55.6174.6000107.6F41 F84 Y88 L102 K106 M113 M155F41-L115 HydrophobicContact CE1-CB 4.06Å; F41-L115 HydrophobicContact CE1-CD1 4.19Å; F41-L115 HydrophobicContact CZ-CB 4.36Å; F41-L115 HydrophobicContact CZ-CD1 3.94Å; F84-L115 HydrophobicContact CB-CD2 3.93Å; F84-L115 HydrophobicContact CD2-CD2 3.85Å; F84-L115 HydrophobicContact CG-CD2 4.14Å; Y88-L115 HydrophobicContact CE1-CD2 4.17Å; Y88-L115 WeakPolarHBondContact OH-CA 3.47Å; L102-L115 HydrophobicContact CB-CD1 3.95Å; L102-L115 HydrophobicContact CB-CD2 4.07Å; L102-L115 HydrophobicContact CD1-CD2 4.32Å; L102-L115 HydrophobicContact CD2-CD2 4.24Å; L102-L115 HydrophobicContact CG-CD2 4.45Å; K106-L115 HydrophobicContact CB-CD1 4.07Å; M113-L115 HydrophobicContact CG-CD2 4.14Å; M113-L115 HydrophobicContact CG-CG 4.22Å; M113-L115 HydrophobicContact SD-CD2 3.7Å; M113-L115 HydrophobicContact SD-CG 4.41Å; L115-M155 HydrophobicContact CB-CE 3.56Å
116L98.9Very high98.4Very high0 Ų025.3 Ų25.30%013%0.126CC..  trans-86.6161169.7-55.9-174.9000110L48 L83 F84 L85 Y88 M155 P156 A158 A159 C167L48-L116 HydrophobicContact CD1-CD2 3.8Å; L48-L116 HydrophobicContact CG-CD2 4.35Å; L83-L116 HydrophobicContact CD1-CD1 4.1Å; L83-L116 HydrophobicContact CD1-CD2 4.19Å; L83-L116 HydrophobicContact CD1-CG 3.79Å; F84-L116 WeakPolarHBondContact O-CB 3.17Å; F84-L116 PolarHBondContact O-N 2.86Å; L85-L116 HydrophobicContact CD2-CD1 3.8Å; Y88-L116 VanDerWaalsContact CE2-O 3.24Å; Y88-L116 WeakPolarHBondContact CE2-O 3.2Å; Y88-L116 PolarHBondContact OH-N 3.35Å; Y88-L116 PolarHBondContact OH-O 2.53Å; L116-M155 WeakPolarHBondContact O-CE 3.23Å; L116-P156 CarbonylContact C-O 3.56Å; L116-P156 WeakPolarHBondContact CA-O 3.24Å; L116-P156 HydrophobicContact CD2-CB 4.01Å; L116-A158 VanDerWaalsContact CD2-C 3.49Å; L116-A158 WeakPolarHBondContact CD2-O 3.3Å; L116-A159 HydrophobicContact CD1-CB 4.31Å; L116-A159 HydrophobicContact CD2-CB 4.24Å; L116-C167 HydrophobicContact CD1-CB 4.37Å
117R98.8Very high98.4Very high2 Ų229 Ų291%0.00815%0.146CC..  trans-89.2127.9177.9-158.7178.3-177.9-177.5-2.2111E121 F122 F152 M155 P156 L157 L189R117-E121 HydrophobicContact CG-CB 3.59Å; R117-E121 VanDerWaalsContact CZ-O 3.29Å; R117-E121 PolarHBondContact NE-O 2.81Å; R117-E121 PolarHBondContact NH2-O 3.48Å; R117-F122 HydrophobicContact CG-CE2 4.25Å; R117-F122 VanDerWaalsContact NH2-CD1 3.3Å; R117-F152 WeakPolarHBondContact CD-O 3.34Å; R117-F152 PolarHBondContact NE-O 3.23Å; R117-M155 HydrophobicContact CB-CB 3.78Å; R117-M155 HydrophobicContact CG-CB 4.09Å; R117-P156 PolarHBondContact N-O 2.59Å; R117-L157 HydrophobicContact CB-CD2 4.15Å; R117-L189 PolarHBondContact NH1-O 3.25Å
118G98.8Very high98.3Very high0 Ų033.7 Ų33.70%017%0.17CC..  trans-91.1177.116700000112.3D87 H120 E121 F122 H169D87-G118 WeakPolarHBondContact OD1-CA 3.4Å; G118-H120 VanDerWaalsContact C-N 3.25Å; G118-H120 PolarHBondContact O-N 2.95Å; G118-E121 VanDerWaalsContact CA-OE2 3.31Å; G118-E121 WeakPolarHBondContact CA-OE2 3.22Å; G118-E121 PolarHBondContact N-OE2 3Å; G118-E121 PolarHBondContact O-N 3.48Å; G118-F122 WeakPolarHBondContact O-CD2 3.42Å; G118-F122 WeakPolarHBondContact O-CE2 3.41Å; G118-H169 VanDerWaalsContact CA-CG 3.46Å
119N98.5Very high98.3Very high2 Ų234 Ų341%0.01117%0.172CC..G310 helixtrans-71.2-24.6176.761.3-69.5000111.9D87 E121 F122 I125 H169 V201 W202 H244D87-N119 PolarHBondContact OD1-N 2.73Å; D87-N119 VanDerWaalsContact OD1-N 3.15Å; D87-N119 PolarHBondContact OD1-OD1 3.31Å; D87-N119 PolarHBondContact OD2-OD1 3.37Å; N119-E121 PolarHBondContact O-N 2.86Å; N119-F122 PolarHBondContact O-N 3.12Å; N119-I125 WeakPolarHBondContact O-CB 3.46Å; N119-I125 WeakPolarHBondContact O-CG1 3.43Å; N119-H169 PolarHBondContact OD1-CD2 3.12Å; N119-H169 VanDerWaalsContact OD1-CD2 3.26Å; N119-H169 PolarHBondContact OD1-NE2 3.28Å; N119-V201 HydrophobicContact CB-CB 4.31Å; N119-V201 HydrophobicContact CB-CG2 4.35Å; N119-W202 HydrophobicContact CB-CD2 3.9Å; N119-W202 VanDerWaalsContact CB-CE2 3.44Å; N119-W202 HydrophobicContact CB-CE3 4.33Å; N119-W202 HydrophobicContact CB-CH2 4.05Å; N119-W202 HydrophobicContact CB-CZ2 3.53Å; N119-W202 HydrophobicContact CB-CZ3 4.41Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.4Å; N119-W202 WeakPolarHBondContact ND2-CZ3 3.22Å; N119-H244 PolarHBondContact OD1-CE1 3.39Å; N119-H244 PolarHBondContact OD1-ND1 2.89Å
120H98.6Very high98.3Very high7 Ų734.1 Ų34.13%0.03218%0.18CC..G310 helixtrans-73.9-10.6173.8-75-96.8000113.3H61 D87 V89 D90 G118 F122 I125 N126 Y129H61-H120 AromaticContact CE1-CD2 3.54Å; H61-H120 AromaticContact CE1-CE1 3.95Å; H61-H120 AromaticContact CE1-CG 3.69Å; H61-H120 AromaticContact CE1-ND1 3.94Å; H61-H120 AromaticContact CE1-NE2 3.72Å; D87-H120 VanDerWaalsContact CG-CD2 3.45Å; D87-H120 WeakPolarHBondContact OD1-CB 3.44Å; D87-H120 IonicContact OD1-CD2 2.71Å; D87-H120 PolarHBondContact OD1-CD2 3.11Å; D87-H120 IonicContact OD1-CG 3.35Å; D87-H120 PolarHBondContact OD1-N 3.07Å; D87-H120 IonicContact OD2-CD2 3.65Å; D87-H120 PolarHBondContact OD2-CD2 3.35Å; D87-H120 IonicContact OD2-CG 3.11Å; D87-H120 IonicContact OD2-NE2 3.77Å; V89-H120 HydrophobicContact CG2-CB 4.27Å; V89-H120 VanDerWaalsContact CG2-O 3.31Å; V89-H120 WeakPolarHBondContact CG2-O 3.43Å; D90-H120 VanDerWaalsContact CB-ND1 3.32Å; D90-H120 WeakPolarHBondContact CB-ND1 3.44Å; D90-H120 IonicContact OD2-CE1 2.76Å; D90-H120 IonicContact OD2-CG 3.97Å; D90-H120 IonicContact OD2-ND1 3.61Å; D90-H120 PolarHBondContact OD2-ND1 3.26Å; G118-H120 VanDerWaalsContact C-N 3.25Å; G118-H120 PolarHBondContact O-N 2.95Å; H120-F122 PolarHBondContact O-N 2.97Å; H120-I125 HydrophobicContact CB-CG2 4.42Å; H120-N126 VanDerWaalsContact O-CB 3.24Å; H120-N126 WeakPolarHBondContact O-CB 3.31Å; H120-N126 PolarHBondContact O-ND2 2.97Å; H120-Y129 AromaticContact CE1-CD2 3.98Å; H120-Y129 AromaticContact CE1-CG 3.67Å
121E98.7Very high98.3Very high0 Ų031.9 Ų31.90%017%0.166CC..G310 helixtrans-88.722.1171.1-7674.4-129.700113.2D87 Y88 V89 R117 G118 N119 F152 M155D87-E121 PolarHBondContact N-OE2 2.93Å; Y88-E121 HydrophobicContact CD2-CG 3.81Å; Y88-E121 WeakPolarHBondContact CD2-OE1 3.41Å; Y88-E121 HydrophobicContact CE2-CG 4.29Å; Y88-E121 PolarHBondContact N-OE1 3.26Å; V89-E121 PolarHBondContact N-OE1 3.45Å; R117-E121 HydrophobicContact CG-CB 3.59Å; R117-E121 VanDerWaalsContact CZ-O 3.29Å; R117-E121 PolarHBondContact NE-O 2.81Å; R117-E121 PolarHBondContact NH2-O 3.48Å; G118-E121 VanDerWaalsContact CA-OE2 3.31Å; G118-E121 WeakPolarHBondContact CA-OE2 3.22Å; G118-E121 PolarHBondContact N-OE2 3Å; G118-E121 PolarHBondContact O-N 3.48Å; N119-E121 PolarHBondContact O-N 2.86Å; E121-F152 HydrophobicContact CB-CB 4.03Å; E121-F152 HydrophobicContact CB-CD2 3.9Å; E121-F152 HydrophobicContact CB-CG 3.92Å; E121-F152 HydrophobicContact CG-CD1 4.2Å; E121-F152 HydrophobicContact CG-CD2 4Å; E121-F152 HydrophobicContact CG-CE1 4.41Å; E121-F152 HydrophobicContact CG-CE2 4.19Å; E121-F152 HydrophobicContact CG-CG 4.01Å; E121-F152 HydrophobicContact CG-CZ 4.4Å; E121-F152 VanDerWaalsContact O-CB 3.31Å; E121-F152 WeakPolarHBondContact O-CB 3.37Å; E121-M155 HydrophobicContact CG-SD 4.37Å
122F98.5Very high98.4Very high2 Ų230.2 Ų30.21%0.00915%0.152CC..SBendtrans-110.8141.6168.6-68.4-94.7000111.4R117 G118 N119 H120 N124 I125 N126 K190 P192 V201R117-F122 HydrophobicContact CG-CE2 4.25Å; R117-F122 VanDerWaalsContact NH2-CD1 3.3Å; G118-F122 WeakPolarHBondContact O-CD2 3.42Å; G118-F122 WeakPolarHBondContact O-CE2 3.41Å; N119-F122 PolarHBondContact O-N 3.12Å; H120-F122 PolarHBondContact O-N 2.97Å; F122-N124 WeakPolarHBondContact CB-OD1 3.31Å; F122-N124 PolarHBondContact O-N 3.42Å; F122-I125 HydrophobicContact CB-CG1 4.47Å; F122-I125 PolarHBondContact O-N 3.24Å; F122-N126 VanDerWaalsContact O-CG 3.28Å; F122-N126 PolarHBondContact O-N 2.86Å; F122-N126 PolarHBondContact O-ND2 3.1Å; F122-K190 WeakPolarHBondContact CD1-O 3.2Å; F122-P192 HydrophobicContact CD1-CG 4.39Å; F122-P192 HydrophobicContact CE1-CB 4.19Å; F122-P192 VanDerWaalsContact CE1-CD 3.42Å; F122-P192 HydrophobicContact CE1-CG 3.95Å; F122-P192 HydrophobicContact CZ-CB 4.05Å; F122-P192 HydrophobicContact CZ-CG 4Å; F122-V201 HydrophobicContact CE2-CG1 4.33Å; F122-V201 HydrophobicContact CE2-CG2 4.11Å
123D98Very high98.3Very high39 Ų3932.7 Ų32.721%0.20917%0.165CC..Hα-helixtrans-62.9-39-170.459.2-2.4000112.8I125 N127 W145 N149D123-I125 PolarHBondContact O-N 3.43Å; D123-N127 WeakPolarHBondContact O-CB 3.4Å; D123-N127 PolarHBondContact O-N 3.2Å; D123-W145 HydrophobicContact CB-CH2 3.8Å; D123-W145 HydrophobicContact CB-CZ2 3.83Å; D123-W145 WeakPolarHBondContact O-CZ2 3.46Å; D123-N149 VanDerWaalsContact CA-OD1 3.29Å; D123-N149 WeakPolarHBondContact CA-OD1 3.34Å; D123-N149 HydrophobicContact CB-CB 4.15Å; D123-N149 PolarHBondContact N-OD1 2.93Å
124N97Very high98.3Very high84 Ų8433.5 Ų33.545%0.44917%0.169SC..Hα-helixtrans-62.9-29176.166.7-57.1000113.2F122 I128F122-N124 WeakPolarHBondContact CB-OD1 3.31Å; F122-N124 PolarHBondContact O-N 3.42Å; N124-I128 WeakPolarHBondContact O-CD1 3.4Å
125I98.1Very high98.3Very high16 Ų1633 Ų338%0.08217%0.167CC..Hα-helixtrans-85-55.4178.8-56.7-54.3000109.8N119 H120 F122 D123 N127 I128 Y129 W202N119-I125 WeakPolarHBondContact O-CB 3.46Å; N119-I125 WeakPolarHBondContact O-CG1 3.43Å; H120-I125 HydrophobicContact CB-CG2 4.42Å; F122-I125 HydrophobicContact CB-CG1 4.47Å; F122-I125 PolarHBondContact O-N 3.24Å; D123-I125 PolarHBondContact O-N 3.43Å; I125-N127 PolarHBondContact O-N 3.44Å; I125-N127 VanDerWaalsContact O-N 3.11Å; I125-I128 PolarHBondContact O-N 3.12Å; I125-Y129 HydrophobicContact CG2-CD2 3.55Å; I125-Y129 HydrophobicContact CG2-CE2 3.97Å; I125-Y129 HydrophobicContact CG2-CG 4.47Å; I125-Y129 WeakPolarHBondContact O-CD2 3.04Å; I125-Y129 PolarHBondContact O-N 3.1Å; I125-Y129 VanDerWaalsContact O-N 3.11Å; I125-W202 HydrophobicContact CD1-CH2 4Å; I125-W202 HydrophobicContact CD1-CZ2 3.65Å; I125-W202 HydrophobicContact CG1-CH2 4.48Å; I125-W202 HydrophobicContact CG1-CZ2 3.92Å
126N98.5Very high98.2Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-74.8-3.4-175.868.442.5000115.2V89 D90 H120 F122 I128 F131 Y132 W145 N149V89-N126 HydrophobicContact CG2-CB 4.04Å; D90-N126 WeakPolarHBondContact OD1-CA 3.44Å; D90-N126 WeakPolarHBondContact OD2-CA 3.26Å; D90-N126 VanDerWaalsContact OD2-CB 3.29Å; D90-N126 WeakPolarHBondContact OD2-CB 3.43Å; H120-N126 VanDerWaalsContact O-CB 3.24Å; H120-N126 WeakPolarHBondContact O-CB 3.31Å; H120-N126 PolarHBondContact O-ND2 2.97Å; F122-N126 VanDerWaalsContact O-CG 3.28Å; F122-N126 PolarHBondContact O-N 2.86Å; F122-N126 PolarHBondContact O-ND2 3.1Å; N126-I128 VanDerWaalsContact C-N 3.32Å; N126-F131 HydrophobicContact CB-CB 3.91Å; N126-F131 HydrophobicContact CB-CD1 4.16Å; N126-Y132 WeakPolarHBondContact O-CB 3.28Å; N126-Y132 PolarHBondContact O-N 3.3Å; N126-W145 VanDerWaalsContact OD1-CE2 3.31Å; N126-W145 WeakPolarHBondContact OD1-CZ2 3.08Å; N126-W145 PolarHBondContact OD1-NE1 3.12Å; N126-N149 PolarHBondContact ND2-OD1 3.36Å; N126-N149 PolarHBondContact OD1-ND2 2.99Å; N126-N149 VanDerWaalsContact OD1-ND2 3.17Å; N126-N149 PolarHBondContact OD1-OD1 2.92Å
127N98.2Very high98.2Very high78 Ų7840.7 Ų40.742%0.41721%0.207SC..THydrogen-bonded Turntrans-71.8-25.7162.8-172.148.4000113D123 I125 W145D123-N127 WeakPolarHBondContact O-CB 3.4Å; D123-N127 PolarHBondContact O-N 3.2Å; I125-N127 PolarHBondContact O-N 3.44Å; I125-N127 VanDerWaalsContact O-N 3.11Å; N127-W145 HydrophobicContact CB-CH2 4.36Å; N127-W145 HydrophobicContact CB-CZ2 3.85Å
128I97.7Very high98.1Very high128 Ų12841.9 Ų41.966%0.65621%0.211SC*.THydrogen-bonded Turntrans-109.5-35.2-170.2-55.3174.1000111.6N124 I125 N126N124-I128 WeakPolarHBondContact O-CD1 3.4Å; I125-I128 PolarHBondContact O-N 3.12Å; N126-I128 VanDerWaalsContact C-N 3.32Å
129Y97.7Very high98Very high103 Ų10343.1 Ų43.140%0.40422%0.216SC..SBendtrans-934.1-169.4-73.4-83.8000115.8D90 R91 H120 I125D90-Y129 WeakPolarHBondContact CB-O 3.23Å; D90-Y129 VanDerWaalsContact CG-CB 3.5Å; D90-Y129 VanDerWaalsContact OD1-C 3.23Å; R91-Y129 PolarHBondContact N-O 3.1Å; H120-Y129 AromaticContact CE1-CD2 3.98Å; H120-Y129 AromaticContact CE1-CG 3.67Å; I125-Y129 HydrophobicContact CG2-CD2 3.55Å; I125-Y129 HydrophobicContact CG2-CE2 3.97Å; I125-Y129 HydrophobicContact CG2-CG 4.47Å; I125-Y129 WeakPolarHBondContact O-CD2 3.04Å; I125-Y129 PolarHBondContact O-N 3.1Å; I125-Y129 VanDerWaalsContact O-N 3.11Å
130G97.2Very high97.9Very high29 Ų2953.3 Ų53.330%0.29926%0.255SS..SBendtrans135-27.7164.100000115.9D90 Y132 M133 E134D90-G130 PolarHBondContact OD1-N 2.98Å; D90-G130 VanDerWaalsContact OD1-N 3.08Å; G130-Y132 PolarHBondContact O-N 3.2Å; G130-M133 WeakPolarHBondContact O-CB 3.34Å; G130-M133 PolarHBondContact O-N 3.48Å; G130-E134 PolarHBondContact O-N 3.31Å
131F98.6Very high97.8Very high0 Ų054.8 Ų54.80%026%0.262CS..Hα-helixtrans-67.5-42.6-171.1-175.5-136.4000113V89 D90 S95 I96 I99 N126 M133 E134 V135 W145 F148 F152V89-F131 HydrophobicContact CB-CB 4.06Å; V89-F131 HydrophobicContact CB-CD1 4.11Å; V89-F131 HydrophobicContact CB-CD2 4.06Å; V89-F131 HydrophobicContact CB-CG 3.82Å; V89-F131 HydrophobicContact CG1-CD1 4.15Å; V89-F131 HydrophobicContact CG1-CD2 4.12Å; V89-F131 HydrophobicContact CG1-CE1 4.12Å; V89-F131 HydrophobicContact CG1-CE2 4.08Å; V89-F131 HydrophobicContact CG1-CG 4.15Å; V89-F131 HydrophobicContact CG1-CZ 4.07Å; V89-F131 HydrophobicContact CG2-CB 4.15Å; V89-F131 HydrophobicContact CG2-CD1 4.07Å; V89-F131 HydrophobicContact CG2-CG 4.13Å; D90-F131 WeakPolarHBondContact OD1-CB 3.24Å; D90-F131 PolarHBondContact OD1-N 2.88Å; S95-F131 VanDerWaalsContact CB-CD2 3.48Å; I96-F131 HydrophobicContact CG1-CE2 3.82Å; I99-F131 HydrophobicContact CG2-CZ 4.38Å; N126-F131 HydrophobicContact CB-CB 3.91Å; N126-F131 HydrophobicContact CB-CD1 4.16Å; F131-M133 VanDerWaalsContact C-N 3.3Å; F131-M133 PolarHBondContact O-N 2.82Å; F131-E134 WeakPolarHBondContact O-CB 3.45Å; F131-E134 PolarHBondContact O-N 3.27Å; F131-V135 HydrophobicContact CD2-CG2 4.23Å; F131-V135 HydrophobicContact CE2-CG2 3.93Å; F131-V135 HydrophobicContact CZ-CG2 4.16Å; F131-V135 WeakPolarHBondContact O-CG2 3.12Å; F131-V135 PolarHBondContact O-N 2.72Å; F131-W145 AromaticContact CD1-CD1 3.91Å; F131-F148 HydrophobicContact CE1-CB 3.78Å; F131-F148 HydrophobicContact CE1-CD2 4.03Å; F131-F148 AromaticContact CE1-CG 3.94Å; F131-F148 HydrophobicContact CE1-CG 3.94Å; F131-F148 HydrophobicContact CZ-CB 4.05Å; F131-F148 HydrophobicContact CZ-CD1 4.13Å; F131-F148 AromaticContact CZ-CD2 3.53Å; F131-F148 HydrophobicContact CZ-CD2 3.53Å; F131-F148 HydrophobicContact CZ-CE1 4.46Å; F131-F148 AromaticContact CZ-CE2 3.9Å; F131-F148 HydrophobicContact CZ-CE2 3.9Å; F131-F148 AromaticContact CZ-CG 3.66Å; F131-F148 HydrophobicContact CZ-CG 3.66Å; F131-F148 HydrophobicContact CZ-CZ 4.36Å; F131-F152 HydrophobicContact CD1-CE2 4.49Å; F131-F152 AromaticContact CE1-CE2 3.92Å; F131-F152 HydrophobicContact CE1-CE2 3.92Å; F131-F152 HydrophobicContact CE1-CZ 4.11Å
132Y98.6Very high97.7Very high73 Ų7357.3 Ų57.329%0.28628%0.279SS..Hα-helixtrans-56.9-46.8172.9176-101.9000111.4N126 G130 E134 V135 M136 P142 W145N126-Y132 WeakPolarHBondContact O-CB 3.28Å; N126-Y132 PolarHBondContact O-N 3.3Å; G130-Y132 PolarHBondContact O-N 3.2Å; Y132-E134 VanDerWaalsContact C-N 3.34Å; Y132-E134 PolarHBondContact O-N 3.03Å; Y132-V135 PolarHBondContact O-N 3.37Å; Y132-M136 HydrophobicContact CD1-CG 4.16Å; Y132-M136 HydrophobicContact CD2-CG 4.26Å; Y132-M136 HydrophobicContact CE1-CG 3.72Å; Y132-M136 HydrophobicContact CE2-CG 3.85Å; Y132-M136 HydrophobicContact CE2-SD 4.19Å; Y132-M136 HydrophobicContact CG-CG 4.42Å; Y132-M136 WeakPolarHBondContact O-CB 3.48Å; Y132-M136 VanDerWaalsContact O-CG 3.31Å; Y132-M136 WeakPolarHBondContact O-CG 3.4Å; Y132-M136 PolarHBondContact O-N 3.24Å; Y132-P142 HydrophobicContact CE2-CB 4.33Å; Y132-W145 HydrophobicContact CD2-CB 4.09Å; Y132-W145 AromaticContact CD2-CD1 3.99Å; Y132-W145 AromaticContact CD2-CD2 3.56Å; Y132-W145 HydrophobicContact CD2-CD2 3.56Å; Y132-W145 AromaticContact CD2-CE2 3.92Å; Y132-W145 AromaticContact CD2-CE3 3.95Å; Y132-W145 HydrophobicContact CD2-CE3 3.95Å; Y132-W145 AromaticContact CD2-CG 3.62Å; Y132-W145 HydrophobicContact CD2-CG 3.62Å; Y132-W145 HydrophobicContact CE2-CD2 4.3Å; Y132-W145 HydrophobicContact CE2-CE3 4.25Å; Y132-W145 HydrophobicContact CE2-CG 4.48Å; Y132-W145 HydrophobicContact CG-CD2 4.5Å; Y132-W145 HydrophobicContact CG-CG 4.48Å
133M98.2Very high97.6Very high114 Ų11464.7 Ų64.756%0.56231%0.311SS*.Hα-helixtrans-63.4-40.1178-174.561.4104.800111.4G130 F131 M136 N137G130-M133 WeakPolarHBondContact O-CB 3.34Å; G130-M133 PolarHBondContact O-N 3.48Å; F131-M133 VanDerWaalsContact C-N 3.3Å; F131-M133 PolarHBondContact O-N 2.82Å; M133-M136 PolarHBondContact O-N 3.07Å; M133-N137 WeakPolarHBondContact CG-ND2 3.46Å; M133-N137 VanDerWaalsContact O-CB 3.27Å; M133-N137 WeakPolarHBondContact O-CB 3.35Å; M133-N137 PolarHBondContact O-N 3.07Å; M133-N137 PolarHBondContact O-ND2 2.88Å
134E98Very high97.6Very high17 Ų1762.8 Ų62.88%0.07930%0.301CS..Hα-helixtrans-59-49.9174-174.1-175.7151.100111.3S95 I96 G130 F131 Y132 M136 N137 R138S95-E134 WeakPolarHBondContact CA-OE2 3.41Å; S95-E134 WeakPolarHBondContact CB-OE2 3.13Å; S95-E134 PolarHBondContact N-OE1 2.89Å; S95-E134 VanDerWaalsContact N-OE1 3.11Å; S95-E134 PolarHBondContact N-OE2 2.71Å; S95-E134 PolarHBondContact OG-OE2 3.11Å; I96-E134 WeakPolarHBondContact CB-OE1 3.41Å; I96-E134 HydrophobicContact CD1-CG 4.09Å; I96-E134 HydrophobicContact CG1-CG 4.33Å; I96-E134 WeakPolarHBondContact CG1-OE1 3.18Å; I96-E134 PolarHBondContact N-OE1 3.34Å; G130-E134 PolarHBondContact O-N 3.31Å; F131-E134 WeakPolarHBondContact O-CB 3.45Å; F131-E134 PolarHBondContact O-N 3.27Å; Y132-E134 VanDerWaalsContact C-N 3.34Å; Y132-E134 PolarHBondContact O-N 3.03Å; E134-M136 VanDerWaalsContact C-N 3.35Å; E134-M136 PolarHBondContact O-N 3.34Å; E134-N137 PolarHBondContact O-N 3.07Å; E134-R138 HydrophobicContact CG-CG 4.47Å; E134-R138 VanDerWaalsContact O-CB 3.3Å; E134-R138 WeakPolarHBondContact O-CB 3.31Å; E134-R138 VanDerWaalsContact O-CG 3.25Å; E134-R138 WeakPolarHBondContact O-CG 3.16Å; E134-R138 PolarHBondContact O-N 3.43Å; E134-R138 IonicContact OE1-NH1 3.33Å; E134-R138 PolarHBondContact OE1-NH1 2.92Å
135V98.3Very high97.7Very high0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-60.8-44177.4173.30000111.3I96 F131 Y132 Y139 R140 M144 W145 F148I96-V135 HydrophobicContact CD1-CG2 4Å; I96-V135 HydrophobicContact CG1-CG2 4.21Å; F131-V135 HydrophobicContact CD2-CG2 4.23Å; F131-V135 HydrophobicContact CE2-CG2 3.93Å; F131-V135 HydrophobicContact CZ-CG2 4.16Å; F131-V135 WeakPolarHBondContact O-CG2 3.12Å; F131-V135 PolarHBondContact O-N 2.72Å; Y132-V135 PolarHBondContact O-N 3.37Å; V135-Y139 WeakPolarHBondContact O-CA 3.36Å; V135-Y139 WeakPolarHBondContact O-CB 3.19Å; V135-Y139 PolarHBondContact O-N 3.44Å; V135-R140 PolarHBondContact O-N 3.03Å; V135-M144 HydrophobicContact CG1-CB 3.84Å; V135-M144 HydrophobicContact CG1-CG 3.99Å; V135-M144 HydrophobicContact CG1-SD 4.38Å; V135-W145 HydrophobicContact CB-CB 4.22Å; V135-W145 HydrophobicContact CG1-CB 3.98Å; V135-W145 HydrophobicContact CG2-CB 4.33Å; V135-F148 HydrophobicContact CG2-CD2 4.49Å; V135-F148 HydrophobicContact CG2-CE2 4.47Å
136M98.1Very high97.7Very high47 Ų4765.1 Ų65.123%0.23231%0.306CS..Hα-helixtrans-67.5-41.9-179.6-71.6-53.3-60.300112.6Y132 M133 E134 R140 P142Y132-M136 HydrophobicContact CD1-CG 4.16Å; Y132-M136 HydrophobicContact CD2-CG 4.26Å; Y132-M136 HydrophobicContact CE1-CG 3.72Å; Y132-M136 HydrophobicContact CE2-CG 3.85Å; Y132-M136 HydrophobicContact CE2-SD 4.19Å; Y132-M136 HydrophobicContact CG-CG 4.42Å; Y132-M136 WeakPolarHBondContact O-CB 3.48Å; Y132-M136 VanDerWaalsContact O-CG 3.31Å; Y132-M136 WeakPolarHBondContact O-CG 3.4Å; Y132-M136 PolarHBondContact O-N 3.24Å; M133-M136 PolarHBondContact O-N 3.07Å; E134-M136 VanDerWaalsContact C-N 3.35Å; E134-M136 PolarHBondContact O-N 3.34Å; M136-R140 WeakPolarHBondContact O-CA 3.41Å; M136-R140 WeakPolarHBondContact O-CG 3.45Å; M136-R140 PolarHBondContact O-N 3.01Å; M136-P142 HydrophobicContact SD-CB 3.88Å; M136-P142 HydrophobicContact SD-CG 4.37Å
137N97.5Very high97.7Very high114 Ų11465.9 Ų65.961%0.6131%0.31SS*.Hα-helixtrans-67-39.3178.8-73.4-19.6000112M133 E134M133-N137 WeakPolarHBondContact CG-ND2 3.46Å; M133-N137 VanDerWaalsContact O-CB 3.27Å; M133-N137 WeakPolarHBondContact O-CB 3.35Å; M133-N137 PolarHBondContact O-N 3.07Å; M133-N137 PolarHBondContact O-ND2 2.88Å; E134-N137 PolarHBondContact O-N 3.07Å
138R97Very high97.7Very high27 Ų2762.2 Ų62.210%0.10229%0.29CS..Hα-helixtrans-87.3-36.7-173.4-64177.867.3173.17.9113N21 T22 Q23 E97 E134N21-R138 PolarHBondContact O-NH2 3.06Å; T22-R138 HydrophobicContact CG2-CB 4.13Å; T22-R138 HydrophobicContact CG2-CG 3.95Å; T22-R138 VanDerWaalsContact O-CZ 3.28Å; T22-R138 PolarHBondContact O-NE 2.99Å; T22-R138 PolarHBondContact O-NH2 2.78Å; Q23-R138 VanDerWaalsContact CG-O 3.29Å; Q23-R138 WeakPolarHBondContact CG-O 3.5Å; Q23-R138 PolarHBondContact NE2-O 2.81Å; E97-R138 VanDerWaalsContact CD-NH1 3.27Å; E97-R138 IonicContact OE1-CZ 3.37Å; E97-R138 VanDerWaalsContact OE1-CZ 3.29Å; E97-R138 IonicContact OE1-NH1 3.91Å; E97-R138 PolarHBondContact OE1-NH1 2.87Å; E97-R138 VanDerWaalsContact OE1-NH1 3.07Å; E97-R138 IonicContact OE1-NH2 3.34Å; E97-R138 PolarHBondContact OE1-NH2 2.57Å; E97-R138 IonicContact OE2-CZ 2.65Å; E97-R138 IonicContact OE2-NH1 3.44Å; E97-R138 PolarHBondContact OE2-NH1 3.4Å; E97-R138 IonicContact OE2-NH2 2.82Å; E134-R138 HydrophobicContact CG-CG 4.47Å; E134-R138 VanDerWaalsContact O-CB 3.3Å; E134-R138 WeakPolarHBondContact O-CB 3.31Å; E134-R138 VanDerWaalsContact O-CG 3.25Å; E134-R138 WeakPolarHBondContact O-CG 3.16Å; E134-R138 PolarHBondContact O-N 3.43Å; E134-R138 IonicContact OE1-NH1 3.33Å; E134-R138 PolarHBondContact OE1-NH1 2.92Å
139Y97.2Very high97.8Very high26 Ų2656.3 Ų56.310%0.10226%0.26CS..Hα-helixtrans-121.4-12.2-172.7-70.6-89.9000114.6Q23 V25 I96 V135 N141 M144Q23-Y139 WeakPolarHBondContact CA-OH 3.4Å; Q23-Y139 HydrophobicContact CB-CE1 3.89Å; Q23-Y139 HydrophobicContact CG-CD1 4Å; Q23-Y139 HydrophobicContact CG-CE1 3.71Å; Q23-Y139 HydrophobicContact CG-CE2 4.29Å; Q23-Y139 HydrophobicContact CG-CG 4.44Å; V25-Y139 WeakPolarHBondContact CG2-OH 3.12Å; V25-Y139 VanDerWaalsContact O-CE1 3.23Å; V25-Y139 WeakPolarHBondContact O-CE1 3.4Å; V25-Y139 PolarHBondContact O-OH 2.8Å; I96-Y139 HydrophobicContact CD1-CD2 3.86Å; I96-Y139 HydrophobicContact CD1-CE2 3.68Å; I96-Y139 HydrophobicContact CG2-CE2 4.4Å; V135-Y139 WeakPolarHBondContact O-CA 3.36Å; V135-Y139 WeakPolarHBondContact O-CB 3.19Å; V135-Y139 PolarHBondContact O-N 3.44Å; Y139-N141 PolarHBondContact O-N 3.06Å; Y139-N141 VanDerWaalsContact O-N 3.07Å; Y139-M144 HydrophobicContact CD1-CE 4.36Å; Y139-M144 HydrophobicContact CD1-SD 3.8Å; Y139-M144 HydrophobicContact CD2-CE 3.72Å; Y139-M144 HydrophobicContact CD2-SD 3.75Å; Y139-M144 HydrophobicContact CE1-CE 4.25Å; Y139-M144 HydrophobicContact CE1-SD 4.21Å; Y139-M144 HydrophobicContact CE2-CE 3.62Å; Y139-M144 HydrophobicContact CE2-SD 4.2Å; Y139-M144 HydrophobicContact CG-CE 4.1Å; Y139-M144 HydrophobicContact CG-SD 3.53Å; Y139-M144 VanDerWaalsContact CG-SD 3.53Å
140R96.9Very high97.8Very high216 Ų21656.2 Ų56.282%0.81526%0.263SS*.  trans5131.8-177.7-58.5-178.2179.5177.3-0.8113.3V135 M136V135-R140 PolarHBondContact O-N 3.03Å; M136-R140 WeakPolarHBondContact O-CA 3.41Å; M136-R140 WeakPolarHBondContact O-CG 3.45Å; M136-R140 PolarHBondContact O-N 3.01Å
141N95.8Very high97.9Very high37 Ų3754.8 Ų54.820%0.19825%0.249CC..  trans-133.6101.4-173.4-169.3-14.3000112L27 Y139 K143 M144L27-N141 WeakPolarHBondContact CD2-ND2 3.35Å; Y139-N141 PolarHBondContact O-N 3.06Å; Y139-N141 VanDerWaalsContact O-N 3.07Å; N141-K143 PolarHBondContact O-N 3.44Å; N141-K143 WeakPolarHBondContact OD1-CA 3.41Å; N141-K143 WeakPolarHBondContact OD1-CB 3.36Å; N141-K143 PolarHBondContact OD1-N 3.21Å; N141-M144 HydrophobicContact CB-CB 4.47Å; N141-M144 WeakPolarHBondContact O-CB 3.32Å; N141-M144 PolarHBondContact O-N 2.92Å; N141-M144 VanDerWaalsContact O-N 3.11Å
142P96.6Very high97.9Very high53 Ų5354.8 Ų54.834%0.34425%0.249SC..Hα-helixtrans-67.6-18.2179.327.8-34.4000112.7Y132 M136 M144 W145 K146Y132-P142 HydrophobicContact CE2-CB 4.33Å; M136-P142 HydrophobicContact SD-CB 3.88Å; M136-P142 HydrophobicContact SD-CG 4.37Å; P142-M144 VanDerWaalsContact C-N 3.28Å; P142-M144 PolarHBondContact O-N 3.39Å; P142-W145 PolarHBondContact O-N 2.83Å; P142-K146 WeakPolarHBondContact O-CG 3.44Å; P142-K146 PolarHBondContact O-N 2.7Å; P142-K146 VanDerWaalsContact O-N 3.12Å
143K97.1Very high97.9Very high157 Ų15752.7 Ų52.768%0.68324%0.242SC*.Hα-helixtrans-67-31.2174.7-59.3-179.6176.9177.50111.6N141 K146 L147N141-K143 PolarHBondContact O-N 3.44Å; N141-K143 WeakPolarHBondContact OD1-CA 3.41Å; N141-K143 WeakPolarHBondContact OD1-CB 3.36Å; N141-K143 PolarHBondContact OD1-N 3.21Å; K143-K146 PolarHBondContact O-N 3.07Å; K143-L147 WeakPolarHBondContact O-CB 3.37Å; K143-L147 PolarHBondContact O-N 3.47Å
144M97.9Very high97.9Very high0 Ų050.5 Ų50.50%023%0.228CC..Hα-helixtrans-65.3-44.2176.1179.9166.5168.500111.2L27 V30 I96 V135 Y139 N141 P142 K146 L147 F148L27-M144 HydrophobicContact CD1-CB 3.92Å; L27-M144 HydrophobicContact CD1-CG 4.25Å; L27-M144 HydrophobicContact CD1-SD 4.18Å; V30-M144 HydrophobicContact CB-CE 4.31Å; V30-M144 HydrophobicContact CG1-CE 4.01Å; V30-M144 HydrophobicContact CG1-CG 4.08Å; V30-M144 HydrophobicContact CG1-SD 4.44Å; V30-M144 HydrophobicContact CG2-CE 3.54Å; V30-M144 HydrophobicContact CG2-SD 4.3Å; I96-M144 HydrophobicContact CD1-CE 4.23Å; I96-M144 HydrophobicContact CG2-CE 4.16Å; V135-M144 HydrophobicContact CG1-CB 3.84Å; V135-M144 HydrophobicContact CG1-CG 3.99Å; V135-M144 HydrophobicContact CG1-SD 4.38Å; Y139-M144 HydrophobicContact CD1-CE 4.36Å; Y139-M144 HydrophobicContact CD1-SD 3.8Å; Y139-M144 HydrophobicContact CD2-CE 3.72Å; Y139-M144 HydrophobicContact CD2-SD 3.75Å; Y139-M144 HydrophobicContact CE1-CE 4.25Å; Y139-M144 HydrophobicContact CE1-SD 4.21Å; Y139-M144 HydrophobicContact CE2-CE 3.62Å; Y139-M144 HydrophobicContact CE2-SD 4.2Å; Y139-M144 HydrophobicContact CG-CE 4.1Å; Y139-M144 HydrophobicContact CG-SD 3.53Å; Y139-M144 VanDerWaalsContact CG-SD 3.53Å; N141-M144 HydrophobicContact CB-CB 4.47Å; N141-M144 WeakPolarHBondContact O-CB 3.32Å; N141-M144 PolarHBondContact O-N 2.92Å; N141-M144 VanDerWaalsContact O-N 3.11Å; P142-M144 VanDerWaalsContact C-N 3.28Å; P142-M144 PolarHBondContact O-N 3.39Å; M144-K146 PolarHBondContact O-N 3.45Å; M144-L147 WeakPolarHBondContact O-CB 3.34Å; M144-L147 PolarHBondContact O-N 3.3Å; M144-F148 HydrophobicContact CE-CE2 3.59Å; M144-F148 HydrophobicContact CE-CZ 4.02Å; M144-F148 HydrophobicContact CG-CD2 4.13Å; M144-F148 HydrophobicContact CG-CE2 3.75Å; M144-F148 WeakPolarHBondContact O-CD2 3.4Å; M144-F148 PolarHBondContact O-N 3.31Å
145W98.4Very high98Very high29 Ų2949.8 Ų49.811%0.1122%0.224CC..Hα-helixtrans-63.6-41175173.283.4000112.2D123 N126 N127 F131 Y132 V135 P142 L147 F148 N149D123-W145 HydrophobicContact CB-CH2 3.8Å; D123-W145 HydrophobicContact CB-CZ2 3.83Å; D123-W145 WeakPolarHBondContact O-CZ2 3.46Å; N126-W145 VanDerWaalsContact OD1-CE2 3.31Å; N126-W145 WeakPolarHBondContact OD1-CZ2 3.08Å; N126-W145 PolarHBondContact OD1-NE1 3.12Å; N127-W145 HydrophobicContact CB-CH2 4.36Å; N127-W145 HydrophobicContact CB-CZ2 3.85Å; F131-W145 AromaticContact CD1-CD1 3.91Å; Y132-W145 HydrophobicContact CD2-CB 4.09Å; Y132-W145 AromaticContact CD2-CD1 3.99Å; Y132-W145 AromaticContact CD2-CD2 3.56Å; Y132-W145 HydrophobicContact CD2-CD2 3.56Å; Y132-W145 AromaticContact CD2-CE2 3.92Å; Y132-W145 AromaticContact CD2-CE3 3.95Å; Y132-W145 HydrophobicContact CD2-CE3 3.95Å; Y132-W145 AromaticContact CD2-CG 3.62Å; Y132-W145 HydrophobicContact CD2-CG 3.62Å; Y132-W145 HydrophobicContact CE2-CD2 4.3Å; Y132-W145 HydrophobicContact CE2-CE3 4.25Å; Y132-W145 HydrophobicContact CE2-CG 4.48Å; Y132-W145 HydrophobicContact CG-CD2 4.5Å; Y132-W145 HydrophobicContact CG-CG 4.48Å; V135-W145 HydrophobicContact CB-CB 4.22Å; V135-W145 HydrophobicContact CG1-CB 3.98Å; V135-W145 HydrophobicContact CG2-CB 4.33Å; P142-W145 PolarHBondContact O-N 2.83Å; W145-L147 VanDerWaalsContact C-N 3.3Å; W145-L147 PolarHBondContact O-N 3.34Å; W145-F148 PolarHBondContact O-N 3.43Å; W145-N149 WeakPolarHBondContact CZ2-ND2 3.4Å; W145-N149 PolarHBondContact NE1-ND2 3.2Å; W145-N149 VanDerWaalsContact NE1-ND2 3.12Å; W145-N149 PolarHBondContact O-N 3.39Å; W145-N149 VanDerWaalsContact O-N 3.09Å; W145-N149 PolarHBondContact O-ND2 2.9Å
146K98.3Very high98Very high120 Ų12049.8 Ų49.852%0.52222%0.224SC..Hα-helixtrans-60.2-41173.3-71.3179.4-179.9-177.10111.9P142 K143 M144 N149 Q150P142-K146 WeakPolarHBondContact O-CG 3.44Å; P142-K146 PolarHBondContact O-N 2.7Å; P142-K146 VanDerWaalsContact O-N 3.12Å; K143-K146 PolarHBondContact O-N 3.07Å; M144-K146 PolarHBondContact O-N 3.45Å; K146-N149 PolarHBondContact O-N 3.15Å; K146-Q150 WeakPolarHBondContact O-CB 3.32Å; K146-Q150 VanDerWaalsContact O-CG 3.25Å; K146-Q150 WeakPolarHBondContact O-CG 3.31Å; K146-Q150 PolarHBondContact O-N 2.96Å
147L98.3Very high98Very high16 Ų1647.6 Ų47.68%0.08421%0.214CC..Hα-helixtrans-64.4-41.1179174.770.2000112.4V30 N31 C34 K143 M144 W145 T151V30-L147 HydrophobicContact CG1-CD2 4.01Å; N31-L147 HydrophobicContact CB-CD2 4.11Å; C34-L147 HydrophobicContact CB-CD1 3.8Å; C34-L147 HydrophobicContact CB-CD2 3.96Å; C34-L147 HydrophobicContact CB-CG 3.67Å; K143-L147 WeakPolarHBondContact O-CB 3.37Å; K143-L147 PolarHBondContact O-N 3.47Å; M144-L147 WeakPolarHBondContact O-CB 3.34Å; M144-L147 PolarHBondContact O-N 3.3Å; W145-L147 VanDerWaalsContact C-N 3.3Å; W145-L147 PolarHBondContact O-N 3.34Å; L147-T151 PolarHBondContact O-N 2.96Å; L147-T151 VanDerWaalsContact O-N 3.15Å; L147-T151 PolarHBondContact O-OG1 3.27Å
148F98.8Very high98.1Very high0 Ų042.2 Ų42.20%019%0.185CC..Hα-helixtrans-60.6-50.6171.8-79.2-68.2000111.3V30 I99 L100 M103 F131 V135 M144 W145 Q150 T151 F152V30-F148 HydrophobicContact CG1-CE1 4.38Å; V30-F148 HydrophobicContact CG1-CE2 4.02Å; V30-F148 HydrophobicContact CG1-CZ 3.8Å; I99-F148 HydrophobicContact CG2-CD1 4.06Å; I99-F148 HydrophobicContact CG2-CE1 3.62Å; I99-F148 HydrophobicContact CG2-CZ 4.26Å; L100-F148 HydrophobicContact CD2-CE1 3.84Å; L100-F148 HydrophobicContact CD2-CZ 3.96Å; L100-F148 HydrophobicContact CG-CE1 4.19Å; L100-F148 HydrophobicContact CG-CZ 4.11Å; M103-F148 HydrophobicContact CE-CD1 4.03Å; M103-F148 HydrophobicContact CE-CE1 3.73Å; F131-F148 HydrophobicContact CE1-CB 3.78Å; F131-F148 HydrophobicContact CE1-CD2 4.03Å; F131-F148 AromaticContact CE1-CG 3.94Å; F131-F148 HydrophobicContact CE1-CG 3.94Å; F131-F148 HydrophobicContact CZ-CB 4.05Å; F131-F148 HydrophobicContact CZ-CD1 4.13Å; F131-F148 AromaticContact CZ-CD2 3.53Å; F131-F148 HydrophobicContact CZ-CD2 3.53Å; F131-F148 HydrophobicContact CZ-CE1 4.46Å; F131-F148 AromaticContact CZ-CE2 3.9Å; F131-F148 HydrophobicContact CZ-CE2 3.9Å; F131-F148 AromaticContact CZ-CG 3.66Å; F131-F148 HydrophobicContact CZ-CG 3.66Å; F131-F148 HydrophobicContact CZ-CZ 4.36Å; V135-F148 HydrophobicContact CG2-CD2 4.49Å; V135-F148 HydrophobicContact CG2-CE2 4.47Å; M144-F148 HydrophobicContact CE-CE2 3.59Å; M144-F148 HydrophobicContact CE-CZ 4.02Å; M144-F148 HydrophobicContact CG-CD2 4.13Å; M144-F148 HydrophobicContact CG-CE2 3.75Å; M144-F148 WeakPolarHBondContact O-CD2 3.4Å; M144-F148 PolarHBondContact O-N 3.31Å; W145-F148 PolarHBondContact O-N 3.43Å; F148-Q150 PolarHBondContact O-N 3.45Å; F148-T151 CarbonylContact O-C 3.56Å; F148-T151 WeakPolarHBondContact O-CA 3.42Å; F148-T151 VanDerWaalsContact O-CB 3.24Å; F148-T151 WeakPolarHBondContact O-CB 3.28Å; F148-T151 PolarHBondContact O-N 2.86Å; F148-F152 HydrophobicContact CB-CE2 4.06Å; F148-F152 HydrophobicContact CB-CZ 3.93Å; F148-F152 HydrophobicContact CD1-CE1 4.47Å; F148-F152 HydrophobicContact CD1-CZ 4.2Å; F148-F152 HydrophobicContact CG-CZ 4.44Å; F148-F152 WeakPolarHBondContact O-CD1 3.43Å; F148-F152 WeakPolarHBondContact O-CG 3.42Å; F148-F152 PolarHBondContact O-N 3.26Å
149N98.8Very high98.2Very high4 Ų440.9 Ų40.92%0.02118%0.18CC..Hα-helixtrans-62.5-40.3-179.8-80-70000112.8D123 N126 W145 K146 T151 F152 M153D123-N149 VanDerWaalsContact CA-OD1 3.29Å; D123-N149 WeakPolarHBondContact CA-OD1 3.34Å; D123-N149 HydrophobicContact CB-CB 4.15Å; D123-N149 PolarHBondContact N-OD1 2.93Å; N126-N149 PolarHBondContact ND2-OD1 3.36Å; N126-N149 PolarHBondContact OD1-ND2 2.99Å; N126-N149 VanDerWaalsContact OD1-ND2 3.17Å; N126-N149 PolarHBondContact OD1-OD1 2.92Å; W145-N149 WeakPolarHBondContact CZ2-ND2 3.4Å; W145-N149 PolarHBondContact NE1-ND2 3.2Å; W145-N149 VanDerWaalsContact NE1-ND2 3.12Å; W145-N149 PolarHBondContact O-N 3.39Å; W145-N149 VanDerWaalsContact O-N 3.09Å; W145-N149 PolarHBondContact O-ND2 2.9Å; K146-N149 PolarHBondContact O-N 3.15Å; N149-T151 PolarHBondContact O-N 3.13Å; N149-F152 PolarHBondContact O-N 2.97Å; N149-M153 WeakPolarHBondContact O-CG 3.42Å; N149-M153 PolarHBondContact O-N 2.78Å; N149-M153 VanDerWaalsContact O-N 3.14Å
150Q98.5Very high98.2Very high101 Ų10140.3 Ų40.347%0.47218%0.178SC..Hα-helixtrans-58.2-29.7171.1-76.4172.4-13.900112.5K146 F148 Y154K146-Q150 WeakPolarHBondContact O-CB 3.32Å; K146-Q150 VanDerWaalsContact O-CG 3.25Å; K146-Q150 WeakPolarHBondContact O-CG 3.31Å; K146-Q150 PolarHBondContact O-N 2.96Å; F148-Q150 PolarHBondContact O-N 3.45Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.39Å; Q150-Y154 WeakPolarHBondContact O-CE2 3.44Å
151T98.8Very high98.3Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-77.9-43.5176.4-54.90000111.5C34 A37 R38 F41 M103 L147 F148 N149 M153 Y154C34-T151 WeakPolarHBondContact CB-OG1 3.38Å; A37-T151 HydrophobicContact CB-CG2 3.86Å; R38-T151 HydrophobicContact CG-CG2 3.81Å; R38-T151 PolarHBondContact NH1-OG1 2.87Å; F41-T151 HydrophobicContact CD2-CG2 4.35Å; F41-T151 HydrophobicContact CE2-CG2 4.17Å; M103-T151 HydrophobicContact SD-CG2 3.87Å; L147-T151 PolarHBondContact O-N 2.96Å; L147-T151 VanDerWaalsContact O-N 3.15Å; L147-T151 PolarHBondContact O-OG1 3.27Å; F148-T151 CarbonylContact O-C 3.56Å; F148-T151 WeakPolarHBondContact O-CA 3.42Å; F148-T151 VanDerWaalsContact O-CB 3.24Å; F148-T151 WeakPolarHBondContact O-CB 3.28Å; F148-T151 PolarHBondContact O-N 2.86Å; N149-T151 PolarHBondContact O-N 3.13Å; T151-M153 PolarHBondContact O-N 3.21Å; T151-Y154 PolarHBondContact O-N 2.9Å; T151-Y154 VanDerWaalsContact O-N 3.09Å
152F98.9Very high98.5Very high0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-59.9-30.3177.8-60.5-21.6000113.6V89 I99 R117 E121 F131 F148 N149 Y154 M155V89-F152 HydrophobicContact CG1-CZ 4.18Å; I99-F152 HydrophobicContact CD1-CE1 3.85Å; I99-F152 HydrophobicContact CD1-CZ 4.39Å; I99-F152 HydrophobicContact CG1-CE1 3.46Å; I99-F152 VanDerWaalsContact CG1-CE1 3.46Å; I99-F152 HydrophobicContact CG1-CZ 3.71Å; R117-F152 WeakPolarHBondContact CD-O 3.34Å; R117-F152 PolarHBondContact NE-O 3.23Å; E121-F152 HydrophobicContact CB-CB 4.03Å; E121-F152 HydrophobicContact CB-CD2 3.9Å; E121-F152 HydrophobicContact CB-CG 3.92Å; E121-F152 HydrophobicContact CG-CD1 4.2Å; E121-F152 HydrophobicContact CG-CD2 4Å; E121-F152 HydrophobicContact CG-CE1 4.41Å; E121-F152 HydrophobicContact CG-CE2 4.19Å; E121-F152 HydrophobicContact CG-CG 4.01Å; E121-F152 HydrophobicContact CG-CZ 4.4Å; E121-F152 VanDerWaalsContact O-CB 3.31Å; E121-F152 WeakPolarHBondContact O-CB 3.37Å; F131-F152 HydrophobicContact CD1-CE2 4.49Å; F131-F152 AromaticContact CE1-CE2 3.92Å; F131-F152 HydrophobicContact CE1-CE2 3.92Å; F131-F152 HydrophobicContact CE1-CZ 4.11Å; F148-F152 HydrophobicContact CB-CE2 4.06Å; F148-F152 HydrophobicContact CB-CZ 3.93Å; F148-F152 HydrophobicContact CD1-CE1 4.47Å; F148-F152 HydrophobicContact CD1-CZ 4.2Å; F148-F152 HydrophobicContact CG-CZ 4.44Å; F148-F152 WeakPolarHBondContact O-CD1 3.43Å; F148-F152 WeakPolarHBondContact O-CG 3.42Å; F148-F152 PolarHBondContact O-N 3.26Å; N149-F152 PolarHBondContact O-N 2.97Å; F152-Y154 PolarHBondContact O-N 3.08Å; F152-M155 HydrophobicContact CB-SD 4.34Å; F152-M155 HydrophobicContact CD1-SD 3.79Å; F152-M155 HydrophobicContact CG-SD 4.39Å; F152-M155 WeakPolarHBondContact O-CB 3.44Å; F152-M155 WeakPolarHBondContact O-CG 3.43Å; F152-M155 PolarHBondContact O-N 2.94Å
153M98.6Very high98.5Very high29 Ų2928.6 Ų28.614%0.14314%0.143CC..THydrogen-bonded Turntrans-57.2-24.6176.1-66.9176.5-167.300113.7N149 T151 P188 L189 K190N149-M153 WeakPolarHBondContact O-CG 3.42Å; N149-M153 PolarHBondContact O-N 2.78Å; N149-M153 VanDerWaalsContact O-N 3.14Å; T151-M153 PolarHBondContact O-N 3.21Å; M153-P188 HydrophobicContact CB-CB 3.58Å; M153-P188 CarbonylContact O-C 3.54Å; M153-P188 VanDerWaalsContact O-CA 3.29Å; M153-P188 WeakPolarHBondContact O-CA 3.31Å; M153-L189 WeakPolarHBondContact CG-O 3.24Å; M153-L189 PolarHBondContact O-N 3.37Å; M153-K190 HydrophobicContact CE-CB 4.28Å; M153-K190 HydrophobicContact CE-CG 3.74Å; M153-K190 HydrophobicContact SD-CB 4.23Å; M153-K190 HydrophobicContact SD-CG 4.31Å
154Y98.7Very high98.6Very high68 Ų6824.8 Ų24.827%0.26713%0.125SC..THydrogen-bonded Turntrans-89.3-6178.6-67.1-93.5000113.1R38 F41 S42 Q150 T151 F152 R187 P188R38-Y154 HydrophobicContact CB-CD2 4.37Å; R38-Y154 HydrophobicContact CG-CD2 3.77Å; R38-Y154 HydrophobicContact CG-CE2 4.11Å; R38-Y154 HydrophobicContact CG-CG 4.42Å; F41-Y154 WeakPolarHBondContact CB-O 3.24Å; S42-Y154 WeakPolarHBondContact OG-CD1 3.39Å; S42-Y154 WeakPolarHBondContact OG-CE1 3.44Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.39Å; Q150-Y154 WeakPolarHBondContact O-CE2 3.44Å; T151-Y154 PolarHBondContact O-N 2.9Å; T151-Y154 VanDerWaalsContact O-N 3.09Å; F152-Y154 PolarHBondContact O-N 3.08Å; Y154-R187 WeakPolarHBondContact O-CD 3.38Å; Y154-R187 PolarHBondContact O-NH1 3.02Å; Y154-P188 HydrophobicContact CD1-CB 4.46Å; Y154-P188 HydrophobicContact CD2-CB 4.22Å; Y154-P188 HydrophobicContact CE1-CB 4.16Å; Y154-P188 HydrophobicContact CE1-CG 4.24Å; Y154-P188 HydrophobicContact CE2-CB 3.87Å; Y154-P188 HydrophobicContact CE2-CG 4.38Å
155M98.8Very high98.6Very high2 Ų225 Ų251%0.0113%0.126CC..SBendtrans-67.6139.5-175.7-66.3-177.675.600111.8F41 Y88 L115 L116 R117 E121 F152 R187F41-M155 HydrophobicContact CD1-CG 4.42Å; F41-M155 HydrophobicContact CD2-CG 3.95Å; F41-M155 HydrophobicContact CE1-CE 4.36Å; F41-M155 HydrophobicContact CE1-CG 4.22Å; F41-M155 HydrophobicContact CE2-CG 3.73Å; F41-M155 HydrophobicContact CE2-SD 4.4Å; F41-M155 HydrophobicContact CG-CG 4.3Å; F41-M155 HydrophobicContact CZ-CE 4.01Å; F41-M155 HydrophobicContact CZ-CG 3.87Å; F41-M155 HydrophobicContact CZ-SD 4.33Å; Y88-M155 HydrophobicContact CD2-CE 4.39Å; Y88-M155 HydrophobicContact CE2-CE 3.53Å; L115-M155 HydrophobicContact CB-CE 3.56Å; L116-M155 WeakPolarHBondContact O-CE 3.23Å; R117-M155 HydrophobicContact CB-CB 3.78Å; R117-M155 HydrophobicContact CG-CB 4.09Å; E121-M155 HydrophobicContact CG-SD 4.37Å; F152-M155 HydrophobicContact CB-SD 4.34Å; F152-M155 HydrophobicContact CD1-SD 3.79Å; F152-M155 HydrophobicContact CG-SD 4.39Å; F152-M155 WeakPolarHBondContact O-CB 3.44Å; F152-M155 WeakPolarHBondContact O-CG 3.43Å; F152-M155 PolarHBondContact O-N 2.94Å; M155-R187 WeakPolarHBondContact O-CD 3.46Å
156P98.7Very high98.7Very high0 Ų023.6 Ų23.60%012%0.121CC..  trans-57.1155168.4-21.532.1000112.1P46 L48 L116 R117P46-P156 WeakPolarHBondContact O-CB 3.32Å; L48-P156 HydrophobicContact CD1-CB 4.06Å; L48-P156 HydrophobicContact CD1-CG 4.01Å; L48-P156 HydrophobicContact CD2-CB 4.04Å; L48-P156 HydrophobicContact CD2-CG 3.7Å; L48-P156 HydrophobicContact CG-CB 3.77Å; L48-P156 HydrophobicContact CG-CG 3.9Å; L116-P156 CarbonylContact C-O 3.56Å; L116-P156 WeakPolarHBondContact CA-O 3.24Å; L116-P156 HydrophobicContact CD2-CB 4.01Å; R117-P156 PolarHBondContact N-O 2.59Å
157L98.7Very high98.7Very high1 Ų117.9 Ų17.91%0.00510%0.096CC..  trans-106.3-23.2-176.2-70.6164.3000113.2P46 R117 I185 L189 T197 L200 V201P46-L157 PolarHBondContact O-N 3.3Å; R117-L157 HydrophobicContact CB-CD2 4.15Å; L157-I185 HydrophobicContact CD1-CD1 3.76Å; L157-I185 HydrophobicContact CD1-CG2 3.79Å; L157-L189 HydrophobicContact CD1-CD2 3.85Å; L157-L189 HydrophobicContact CD2-CD2 4.44Å; L157-T197 HydrophobicContact CD1-CG2 4.03Å; L157-L200 HydrophobicContact CB-CD1 4.09Å; L157-V201 HydrophobicContact CD2-CG1 3.96Å
158A98.9Very high98.7Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-146.7165.6178.600000111.6P46 L47 L48 L116 L166 C167 M168 I182P46-A158 PolarHBondContact O-N 3.38Å; L47-A158 WeakPolarHBondContact CA-O 3.25Å; L47-A158 HydrophobicContact CD1-CB 3.79Å; L48-A158 PolarHBondContact N-O 2.74Å; L116-A158 VanDerWaalsContact CD2-C 3.49Å; L116-A158 WeakPolarHBondContact CD2-O 3.3Å; A158-L166 HydrophobicContact CB-CD1 4.39Å; A158-C167 CarbonylContact C-O 3.52Å; A158-C167 WeakPolarHBondContact CA-O 2.99Å; A158-C167 VanDerWaalsContact CB-O 3.28Å; A158-C167 WeakPolarHBondContact CB-O 3.16Å; A158-M168 HydrophobicContact CB-CB 4.45Å; A158-I182 HydrophobicContact CB-CD1 3.93Å; A158-I182 HydrophobicContact CB-CG2 4.06Å
159A98.9Very high98.7Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-135.6151.5168.700000111L48 I50 L83 L116 L166 C167L48-A159 HydrophobicContact CB-CB 3.85Å; L48-A159 CarbonylContact O-C 3.53Å; L48-A159 WeakPolarHBondContact O-CA 3.3Å; I50-A159 HydrophobicContact CD1-CB 3.79Å; L83-A159 HydrophobicContact CD1-CB 3.94Å; L83-A159 HydrophobicContact CD2-CB 3.8Å; L116-A159 HydrophobicContact CD1-CB 4.31Å; L116-A159 HydrophobicContact CD2-CB 4.24Å; A159-L166 CarbonylContact O-C 3.57Å; A159-C167 HydrophobicContact CB-CB 4.19Å; A159-C167 PolarHBondContact N-O 3.36Å; A159-C167 PolarHBondContact O-N 3.46Å
160L98.9Very high98.7Very high13 Ų1317 Ų177%0.0689%0.091CC..EExtended strand (participates in β ladder)trans-116.4110170.1-174.263.6000107.9L47 L48 I50 I165 L166 F179 I237L47-L160 HydrophobicContact CD1-CB 4.36Å; L48-L160 PolarHBondContact O-N 2.98Å; I50-L160 PolarHBondContact N-O 3.17Å; L160-I165 WeakPolarHBondContact CA-O 3.46Å; L160-L166 HydrophobicContact CD1-CB 4.49Å; L160-F179 HydrophobicContact CD1-CE1 4.27Å; L160-F179 HydrophobicContact CD1-CZ 3.97Å; L160-F179 HydrophobicContact CD2-CD2 4.3Å; L160-F179 HydrophobicContact CD2-CE2 4.13Å; L160-F179 HydrophobicContact CD2-CZ 4.33Å; L160-I237 HydrophobicContact CD1-CG2 4.02Å
161V98.9Very high98.7Very high0 Ų012.1 Ų12.10%07%0.068CC..EExtended strand (participates in β ladder)trans-91.2123-179.1178.10000109.6I50 P52 V54 I56 L83 G163 R164 I165 V281I50-V161 HydrophobicContact CB-CG2 4.25Å; I50-V161 CarbonylContact O-C 3.4Å; I50-V161 VanDerWaalsContact O-CA 3.24Å; I50-V161 WeakPolarHBondContact O-CA 3.29Å; P52-V161 HydrophobicContact CG-CG1 4.2Å; V54-V161 HydrophobicContact CG1-CG1 3.71Å; V54-V161 HydrophobicContact CG1-CG2 4.21Å; I56-V161 HydrophobicContact CD1-CG2 4.2Å; L83-V161 HydrophobicContact CD2-CG2 3.91Å; V161-G163 PolarHBondContact O-N 2.88Å; V161-R164 PolarHBondContact O-N 2.62Å; V161-I165 HydrophobicContact CB-CB 4.23Å; V161-I165 PolarHBondContact N-O 2.76Å; V161-I165 PolarHBondContact O-N 3.41Å; V161-V281 HydrophobicContact CG1-CB 4.48Å; V161-V281 HydrophobicContact CG1-CG1 4.28Å
162G98.4Very high98.7Very high21 Ų2112.1 Ų12.122%0.2167%0.068CC..THydrogen-bonded Turntrans55.922.4-179.900000114.4I50 R164I50-G162 PolarHBondContact O-N 2.88Å; G162-R164 WeakPolarHBondContact O-CG 3.48Å; G162-R164 PolarHBondContact O-N 3.27Å
163G98.2Very high98.7Very high40 Ų4012.2 Ų12.241%0.4127%0.069SC..THydrogen-bonded Turntrans720.2-173.800000115.3V161V161-G163 PolarHBondContact O-N 2.88Å
164R98.3Very high98.6Very high77 Ų7715 Ų1529%0.2918%0.082SC..THydrogen-bonded Turntrans-128.7-15.9-167-57.4-61.8-70.2176.9-3115.5V161 G162 D236 I237 D238 M239 M285V161-R164 PolarHBondContact O-N 2.62Å; G162-R164 WeakPolarHBondContact O-CG 3.48Å; G162-R164 PolarHBondContact O-N 3.27Å; R164-D236 IonicContact CZ-OD1 2.7Å; R164-D236 PolarHBondContact NH1-O 2.97Å; R164-D236 VanDerWaalsContact NH1-O 3.17Å; R164-D236 IonicContact NH1-OD1 3.45Å; R164-D236 PolarHBondContact NH1-OD1 3.12Å; R164-D236 IonicContact NH1-OD2 3.84Å; R164-D236 IonicContact NH2-OD1 3.07Å; R164-I237 WeakPolarHBondContact O-CB 3.48Å; R164-D238 WeakPolarHBondContact CB-OD2 3.08Å; R164-D238 IonicContact CZ-OD1 3.31Å; R164-D238 IonicContact CZ-OD2 3.91Å; R164-D238 IonicContact NE-OD1 3.54Å; R164-D238 IonicContact NE-OD2 3.51Å; R164-D238 PolarHBondContact NE-OD2 3.17Å; R164-D238 VanDerWaalsContact NH2-CG 3.33Å; R164-D238 IonicContact NH2-OD1 3.45Å; R164-D238 PolarHBondContact NH2-OD1 2.88Å; R164-D238 IonicContact NH2-OD2 3.72Å; R164-D238 PolarHBondContact NH2-OD2 3.01Å; R164-D238 PolarHBondContact O-N 3.36Å; R164-M239 PolarHBondContact O-N 3.14Å; R164-M285 HydrophobicContact CB-CE 3.72Å; R164-M285 HydrophobicContact CG-CE 4.32Å
165I98.8Very high98.5Very high4 Ų415.6 Ų15.62%0.0219%0.088CC..EExtended strand (participates in β ladder)trans-120.6109.2178.1-53.5172.7000109.6L160 V161 M239 A241 V281 M285L160-I165 WeakPolarHBondContact CA-O 3.46Å; V161-I165 HydrophobicContact CB-CB 4.23Å; V161-I165 PolarHBondContact N-O 2.76Å; V161-I165 PolarHBondContact O-N 3.41Å; I165-M239 VanDerWaalsContact CA-O 3.31Å; I165-M239 WeakPolarHBondContact CA-O 3.43Å; I165-M239 HydrophobicContact CG1-CB 4.35Å; I165-M239 HydrophobicContact CG2-CB 4.33Å; I165-A241 HydrophobicContact CG2-CB 3.94Å; I165-V281 HydrophobicContact CD1-CG1 4.03Å; I165-V281 HydrophobicContact CD1-CG2 3.86Å; I165-M285 HydrophobicContact CD1-CE 3.73Å; I165-M285 HydrophobicContact CG1-CE 3.77Å
166L98.9Very high98.5Very high0 Ų015.9 Ų15.90%09%0.089CC..EExtended strand (participates in β ladder)trans-82128.5175178.861.1000109.9L47 A158 A159 L160 M168 L176 F179 F231 I237 M239 I240 A241L47-L166 HydrophobicContact CD1-CD1 4.33Å; A158-L166 HydrophobicContact CB-CD1 4.39Å; A159-L166 CarbonylContact O-C 3.57Å; L160-L166 HydrophobicContact CD1-CB 4.49Å; L166-M168 HydrophobicContact CD1-CE 4.3Å; L166-M168 HydrophobicContact CD2-CE 3.52Å; L166-M168 HydrophobicContact CG-CE 3.61Å; L166-L176 HydrophobicContact CD2-CD2 4.33Å; L166-F179 HydrophobicContact CD1-CD1 4.39Å; L166-F179 HydrophobicContact CD1-CE1 3.83Å; L166-F179 HydrophobicContact CD2-CE1 4.07Å; L166-F179 HydrophobicContact CG-CE1 4.34Å; L166-F231 HydrophobicContact CD2-CE1 3.6Å; L166-F231 HydrophobicContact CD2-CZ 3.66Å; L166-I237 HydrophobicContact CB-CD1 3.56Å; L166-I237 HydrophobicContact CD2-CD1 4.3Å; L166-M239 PolarHBondContact N-O 3.2Å; L166-I240 CarbonylContact O-C 3.28Å; L166-I240 VanDerWaalsContact O-CA 3.28Å; L166-I240 WeakPolarHBondContact O-CA 3.29Å; L166-A241 PolarHBondContact O-N 3.21Å
167C98.9Very high98.4Very high0 Ų020.8 Ų20.80%012%0.116CC..EExtended strand (participates in β ladder)trans-122.4135.1-175.1-54.70000111.3L83 L85 L116 A158 A159 A241L83-C167 HydrophobicContact CD2-CB 3.75Å; L85-C167 HydrophobicContact CD2-CB 3.75Å; L116-C167 HydrophobicContact CD1-CB 4.37Å; A158-C167 CarbonylContact C-O 3.52Å; A158-C167 WeakPolarHBondContact CA-O 2.99Å; A158-C167 VanDerWaalsContact CB-O 3.28Å; A158-C167 WeakPolarHBondContact CB-O 3.16Å; A159-C167 HydrophobicContact CB-CB 4.19Å; A159-C167 PolarHBondContact N-O 3.36Å; A159-C167 PolarHBondContact O-N 3.46Å; C167-A241 WeakPolarHBondContact CA-O 3.48Å
168M98.9Very high98.3Very high0 Ų023.9 Ų23.90%013%0.132CC..EExtended strand (participates in β ladder)trans-153.9178.417266.6-79.1-72.400110.4A158 L166 I172 L200 I240 A241 R242A158-M168 HydrophobicContact CB-CB 4.45Å; L166-M168 HydrophobicContact CD1-CE 4.3Å; L166-M168 HydrophobicContact CD2-CE 3.52Å; L166-M168 HydrophobicContact CG-CE 3.61Å; M168-I172 HydrophobicContact CE-CG2 4.08Å; M168-L200 HydrophobicContact CB-CD2 4.09Å; M168-L200 HydrophobicContact CE-CD2 3.8Å; M168-L200 HydrophobicContact CG-CD2 4.25Å; M168-I240 HydrophobicContact SD-CG2 3.78Å; M168-A241 PolarHBondContact N-O 2.86Å; M168-R242 WeakPolarHBondContact O-CA 3.27Å; M168-R242 HydrophobicContact SD-CB 4.47Å
169H98.9Very high98.3Very high0 Ų025 Ų250%014%0.137CC..SBendtrans-77.1-63.4174.7-172.160.7000112D59 L85 D87 G118 N119 L200 V201 R242 A243 H244D59-H169 IonicContact OD1-CE1 3.58Å; D59-H169 IonicContact OD2-CE1 3.69Å; D59-H169 PolarHBondContact OD2-CE1 3.17Å; L85-H169 VanDerWaalsContact O-CA 3.24Å; L85-H169 WeakPolarHBondContact O-CA 3.36Å; L85-H169 WeakPolarHBondContact O-CB 3.34Å; L85-H169 PolarHBondContact O-ND1 3.28Å; L85-H169 VanDerWaalsContact O-ND1 3.12Å; D87-H169 IonicContact OD1-CD2 3.57Å; D87-H169 IonicContact OD1-CE1 3.39Å; D87-H169 IonicContact OD1-NE2 2.77Å; D87-H169 PolarHBondContact OD1-NE2 2.95Å; D87-H169 IonicContact OD2-CE1 3.48Å; D87-H169 PolarHBondContact OD2-CE1 2.86Å; D87-H169 VanDerWaalsContact OD2-CE1 3.31Å; D87-H169 IonicContact OD2-NE2 3.32Å; D87-H169 PolarHBondContact OD2-NE2 3.22Å; D87-H169 VanDerWaalsContact OD2-NE2 3.11Å; G118-H169 VanDerWaalsContact CA-CG 3.46Å; N119-H169 PolarHBondContact OD1-CD2 3.12Å; N119-H169 VanDerWaalsContact OD1-CD2 3.26Å; N119-H169 PolarHBondContact OD1-NE2 3.28Å; H169-L200 PolarHBondContact N-O 2.95Å; H169-V201 PolarHBondContact CD2-O 3.03Å; H169-R242 PolarHBondContact O-NE 2.73Å; H169-A243 CarbonylContact O-C 3.48Å; H169-A243 PolarHBondContact O-N 3.07Å; H169-H244 AromaticContact CD2-CG 3.87Å; H169-H244 AromaticContact CD2-ND1 3.51Å; H169-H244 VanDerWaalsContact NE2-CB 3.34Å; H169-H244 WeakPolarHBondContact NE2-CB 3.29Å; H169-H244 AromaticContact NE2-CG 3.47Å; H169-H244 AromaticContact NE2-ND1 2.95Å; H169-H244 PolarHBondContact NE2-ND1 3.15Å; H169-H244 WeakPolarHBondContact O-CB 3.47Å
170G98.7Very high98.2Very high0 Ų028.5 Ų28.50%016%0.156CC..SBendtrans-77.8-102-177.800000111L200 A203 R242G170-L200 WeakPolarHBondContact CA-O 3.49Å; G170-L200 PolarHBondContact N-O 3.04Å; G170-A203 CarbonylContact C-O 3.59Å; G170-R242 VanDerWaalsContact C-NH2 3.34Å; G170-R242 WeakPolarHBondContact O-CB 3.33Å; G170-R242 PolarHBondContact O-NE 3.01Å; G170-R242 PolarHBondContact O-NH2 3.34Å
171G98.3Very high98.2Very high0 Ų030.5 Ų30.50%017%0.165CC..  trans-159.5-164.9-178.300000113.5D199 L200 A203G171-D199 PolarHBondContact N-O 3.38Å; G171-D199 CarbonylContact O-C 3.55Å; G171-L200 WeakPolarHBondContact O-CA 3.49Å; G171-A203 PolarHBondContact N-O 2.72Å
172I98.5Very high98.2Very high0 Ų030.5 Ų30.50%017%0.165CC..  trans-76.5160.9176.654.5168.6000110.9M168 W212 F223 V227 V228 F231 I240M168-I172 HydrophobicContact CE-CG2 4.08Å; I172-W212 HydrophobicContact CD1-CH2 4.25Å; I172-W212 HydrophobicContact CG1-CH2 3.92Å; I172-W212 WeakPolarHBondContact O-CH2 3.41Å; I172-W212 WeakPolarHBondContact O-CZ3 3.2Å; I172-F223 HydrophobicContact CD1-CD2 4.02Å; I172-F223 HydrophobicContact CD1-CE2 4.15Å; I172-F223 HydrophobicContact CD1-CG 4.34Å; I172-F223 HydrophobicContact CG1-CD1 4Å; I172-F223 HydrophobicContact CG1-CD2 3.99Å; I172-F223 HydrophobicContact CG1-CE1 3.9Å; I172-F223 HydrophobicContact CG1-CE2 3.87Å; I172-F223 HydrophobicContact CG1-CG 4.05Å; I172-F223 HydrophobicContact CG1-CZ 3.83Å; I172-V227 HydrophobicContact CD1-CG1 3.75Å; I172-V228 HydrophobicContact CD1-CG2 4.46Å; I172-F231 HydrophobicContact CB-CD2 4.16Å; I172-F231 HydrophobicContact CB-CE1 4.46Å; I172-F231 HydrophobicContact CB-CE2 4.03Å; I172-F231 HydrophobicContact CB-CG 4.43Å; I172-F231 HydrophobicContact CB-CZ 4.18Å; I172-F231 HydrophobicContact CD1-CB 3.82Å; I172-F231 HydrophobicContact CD1-CD1 4.33Å; I172-F231 HydrophobicContact CD1-CD2 4.04Å; I172-F231 HydrophobicContact CD1-CG 3.8Å; I172-F231 HydrophobicContact CG2-CD1 3.81Å; I172-F231 HydrophobicContact CG2-CD2 4.19Å; I172-F231 HydrophobicContact CG2-CE1 3.51Å; I172-F231 HydrophobicContact CG2-CE2 3.92Å; I172-F231 HydrophobicContact CG2-CG 4.13Å; I172-F231 HydrophobicContact CG2-CZ 3.56Å; I172-I240 HydrophobicContact CD1-CD1 4.3Å; I172-I240 HydrophobicContact CG2-CD1 3.61Å; I172-I240 HydrophobicContact CG2-CG1 4.27Å
173S98.2Very high98.2Very high2 Ų233.4 Ų33.41%0.01417%0.169CC..  trans-119147.7-179.6-175.70000111.2E175 L176 D199S173-E175 PolarHBondContact O-N 3.42Å; S173-E175 PolarHBondContact OG-N 3.48Å; S173-L176 PolarHBondContact O-N 2.88Å; S173-L176 VanDerWaalsContact O-N 3.14Å; S173-D199 WeakPolarHBondContact CA-OD2 3.35Å; S173-D199 WeakPolarHBondContact CB-OD2 3.27Å; S173-D199 PolarHBondContact OG-OD2 3.5Å
174M96.9Very high98.1Very high86 Ų8636.6 Ų36.642%0.42418%0.18SC..THydrogen-bonded Turntrans-58.1-29.2168.5-72.4175.7-77.600112.5L176 W212 Y221M174-L176 VanDerWaalsContact C-N 3.33Å; M174-W212 HydrophobicContact CB-CZ2 4.33Å; M174-W212 HydrophobicContact CE-CE3 4.46Å; M174-W212 HydrophobicContact CG-CB 4.44Å; M174-W212 HydrophobicContact CG-CD2 3.28Å; M174-W212 HydrophobicContact CG-CE3 3.76Å; M174-W212 HydrophobicContact CG-CG 3.6Å; M174-W212 HydrophobicContact CG-CH2 4.1Å; M174-W212 HydrophobicContact CG-CZ2 3.64Å; M174-W212 HydrophobicContact CG-CZ3 4.15Å; M174-W212 HydrophobicContact SD-CB 3.91Å; M174-W212 HydrophobicContact SD-CD2 3.92Å; M174-W212 HydrophobicContact SD-CE3 4.41Å; M174-W212 HydrophobicContact SD-CG 3.68Å; M174-Y221 HydrophobicContact CE-CD1 3.67Å; M174-Y221 HydrophobicContact CE-CD2 3.5Å; M174-Y221 VanDerWaalsContact CE-CD2 3.5Å; M174-Y221 HydrophobicContact CE-CE1 3.63Å; M174-Y221 HydrophobicContact CE-CE2 3.46Å; M174-Y221 VanDerWaalsContact CE-CE2 3.46Å; M174-Y221 HydrophobicContact CE-CG 3.61Å
175E96.9Very high98.1Very high82 Ų8233.9 Ų33.938%0.38317%0.171SC..THydrogen-bonded Turntrans-82.5-13.3-178.8-66.2-177.8177.400112.5S173 N177 Q181 N195 L196S173-E175 PolarHBondContact O-N 3.42Å; S173-E175 PolarHBondContact OG-N 3.48Å; E175-N177 PolarHBondContact O-N 3.3Å; E175-Q181 PolarHBondContact O-NE2 2.94Å; E175-Q181 PolarHBondContact O-OE1 3.5Å; E175-N195 HydrophobicContact CG-CB 4.42Å; E175-N195 WeakPolarHBondContact OE1-CB 2.99Å; E175-N195 PolarHBondContact OE1-ND2 2.95Å; E175-L196 PolarHBondContact OE2-N 3.23Å
176L98.1Very high98Very high7 Ų744.4 Ų44.44%0.03721%0.211CC..  trans-88.5109.7-175.2-174.660.7000111.3L166 S173 M174 N178 Q181 I182 L196 F231 M235L166-L176 HydrophobicContact CD2-CD2 4.33Å; S173-L176 PolarHBondContact O-N 2.88Å; S173-L176 VanDerWaalsContact O-N 3.14Å; M174-L176 VanDerWaalsContact C-N 3.33Å; L176-N178 WeakPolarHBondContact CD1-O 3.43Å; L176-Q181 HydrophobicContact CD1-CB 4.2Å; L176-I182 HydrophobicContact CD1-CD1 4.05Å; L176-I182 HydrophobicContact CD1-CG1 3.81Å; L176-I182 HydrophobicContact CD2-CD1 3.93Å; L176-L196 HydrophobicContact CB-CD1 3.89Å; L176-L196 HydrophobicContact CD1-CD1 4.18Å; L176-L196 HydrophobicContact CD2-CD1 4.39Å; L176-L196 HydrophobicContact CG-CD1 4.39Å; L176-F231 HydrophobicContact CB-CE2 4.08Å; L176-F231 HydrophobicContact CD2-CE2 3.88Å; L176-F231 HydrophobicContact CD2-CZ 3.63Å; L176-F231 HydrophobicContact CG-CE2 3.9Å; L176-F231 HydrophobicContact CG-CZ 4.04Å; L176-F231 WeakPolarHBondContact O-CE2 3.33Å; L176-M235 HydrophobicContact CD1-CE 4.46Å; L176-M235 HydrophobicContact CG-CE 4.33Å
177N96.6Very high97.9Very high104 Ų10446.9 Ų46.956%0.55622%0.22SC*.SBendtrans-133.8-3.1175.45858.2000113.4E175 Q181 M235E175-N177 PolarHBondContact O-N 3.3Å; N177-Q181 PolarHBondContact OD1-OE1 3.42Å; N177-M235 VanDerWaalsContact O-SD 3.38Å
178N97.4Very high97.9Very high65 Ų6550.2 Ų50.235%0.34824%0.242SC..SBendtrans-148.6140.2171.7178.126.1000110.7L176 D180 Q181L176-N178 WeakPolarHBondContact CD1-O 3.43Å; N178-D180 VanDerWaalsContact ND2-CB 3.34Å; N178-D180 WeakPolarHBondContact ND2-CB 3.29Å; N178-D180 PolarHBondContact ND2-OD2 3.38Å; N178-D180 PolarHBondContact O-N 3.19Å; N178-D180 PolarHBondContact OD1-N 2.99Å; N178-Q181 HydrophobicContact CB-CG 4.47Å; N178-Q181 VanDerWaalsContact O-CB 3.31Å; N178-Q181 WeakPolarHBondContact O-CB 3.33Å; N178-Q181 WeakPolarHBondContact O-CG 3.38Å; N178-Q181 PolarHBondContact O-N 2.9Å; N178-Q181 VanDerWaalsContact O-N 3.1Å; N178-Q181 PolarHBondContact O-OE1 2.95Å
179F98.4Very high97.8Very high23 Ų2351.3 Ų51.310%0.10125%0.248CC..THydrogen-bonded Turntrans-61.2-26.4178.9-70.1-56.2000113.7L47 L160 L166 Q181 I182 R183 M235 I237L47-F179 HydrophobicContact CD2-CB 3.76Å; L47-F179 HydrophobicContact CD2-CD1 4.13Å; L47-F179 HydrophobicContact CD2-CG 4.21Å; L160-F179 HydrophobicContact CD1-CE1 4.27Å; L160-F179 HydrophobicContact CD1-CZ 3.97Å; L160-F179 HydrophobicContact CD2-CD2 4.3Å; L160-F179 HydrophobicContact CD2-CE2 4.13Å; L160-F179 HydrophobicContact CD2-CZ 4.33Å; L166-F179 HydrophobicContact CD1-CD1 4.39Å; L166-F179 HydrophobicContact CD1-CE1 3.83Å; L166-F179 HydrophobicContact CD2-CE1 4.07Å; L166-F179 HydrophobicContact CG-CE1 4.34Å; F179-Q181 PolarHBondContact O-N 3.03Å; F179-I182 PolarHBondContact O-N 3Å; F179-R183 PolarHBondContact O-N 3.43Å; F179-R183 VanDerWaalsContact O-N 3.1Å; F179-M235 HydrophobicContact CD1-CE 3.56Å; F179-M235 HydrophobicContact CD2-CE 4.02Å; F179-M235 HydrophobicContact CE1-CE 3.44Å; F179-M235 VanDerWaalsContact CE1-CE 3.44Å; F179-M235 HydrophobicContact CE2-CB 4.49Å; F179-M235 HydrophobicContact CE2-CE 3.94Å; F179-M235 WeakPolarHBondContact CE2-O 3.49Å; F179-M235 HydrophobicContact CG-CE 3.83Å; F179-M235 HydrophobicContact CZ-CB 4.1Å; F179-M235 HydrophobicContact CZ-CE 3.65Å; F179-I237 HydrophobicContact CE2-CG2 4.28Å; F179-I237 HydrophobicContact CZ-CG2 3.69Å
180D98.2Very high97.7Very high74 Ų7457 Ų5740%0.39627%0.272SS..Hα-helixtrans-63.7-24.2177.2-59.5-39.1000112.9N178 I182 R183 T184N178-D180 VanDerWaalsContact ND2-CB 3.34Å; N178-D180 WeakPolarHBondContact ND2-CB 3.29Å; N178-D180 PolarHBondContact ND2-OD2 3.38Å; N178-D180 PolarHBondContact O-N 3.19Å; N178-D180 PolarHBondContact OD1-N 2.99Å; D180-I182 PolarHBondContact O-N 3.49Å; D180-R183 PolarHBondContact O-N 3.08Å; D180-R183 WeakPolarHBondContact OD1-CD 3.49Å; D180-R183 IonicContact OD1-CZ 3.25Å; D180-R183 IonicContact OD1-NE 2.79Å; D180-R183 IonicContact OD1-NH1 3.34Å; D180-R183 PolarHBondContact OD1-NH1 3.11Å; D180-T184 WeakPolarHBondContact O-CB 3.38Å; D180-T184 VanDerWaalsContact O-CG2 3.28Å; D180-T184 WeakPolarHBondContact O-CG2 3.3Å; D180-T184 PolarHBondContact O-N 3.11Å; D180-T184 PolarHBondContact O-OG1 3.05Å
181Q98.3Very high97.5Very high55 Ų5558.7 Ų58.726%0.25728%0.283SS..Hα-helixtrans-61.7-32.2173.8-61176.4-77.500111.4E175 L176 N177 N178 F179 T184 I185 L196E175-Q181 PolarHBondContact O-NE2 2.94Å; E175-Q181 PolarHBondContact O-OE1 3.5Å; L176-Q181 HydrophobicContact CD1-CB 4.2Å; N177-Q181 PolarHBondContact OD1-OE1 3.42Å; N178-Q181 HydrophobicContact CB-CG 4.47Å; N178-Q181 VanDerWaalsContact O-CB 3.31Å; N178-Q181 WeakPolarHBondContact O-CB 3.33Å; N178-Q181 WeakPolarHBondContact O-CG 3.38Å; N178-Q181 PolarHBondContact O-N 2.9Å; N178-Q181 VanDerWaalsContact O-N 3.1Å; N178-Q181 PolarHBondContact O-OE1 2.95Å; F179-Q181 PolarHBondContact O-N 3.03Å; Q181-T184 PolarHBondContact O-OG1 2.85Å; Q181-I185 WeakPolarHBondContact O-CG1 3.27Å; Q181-L196 HydrophobicContact CB-CD2 3.96Å
182I98.5Very high97.1Very high0 Ų059.5 Ų59.50%029%0.288CS..Hα-helixtrans-80.7-44.6172.7-52-179.8000110.2P46 L47 A158 L176 F179 D180 T184 I185 L200P46-I182 WeakPolarHBondContact CB-O 3.47Å; L47-I182 HydrophobicContact CB-CB 4.08Å; L47-I182 HydrophobicContact CB-CG2 3.73Å; L47-I182 HydrophobicContact CD1-CD1 4.38Å; L47-I182 HydrophobicContact CD1-CG2 4.34Å; A158-I182 HydrophobicContact CB-CD1 3.93Å; A158-I182 HydrophobicContact CB-CG2 4.06Å; L176-I182 HydrophobicContact CD1-CD1 4.05Å; L176-I182 HydrophobicContact CD1-CG1 3.81Å; L176-I182 HydrophobicContact CD2-CD1 3.93Å; F179-I182 PolarHBondContact O-N 3Å; D180-I182 PolarHBondContact O-N 3.49Å; I182-T184 PolarHBondContact O-N 2.97Å; I182-T184 VanDerWaalsContact O-N 3.08Å; I182-I185 HydrophobicContact CB-CD1 4.33Å; I182-I185 HydrophobicContact CG2-CD1 3.97Å; I182-I185 WeakPolarHBondContact O-CB 3.43Å; I182-I185 WeakPolarHBondContact O-CG1 3.17Å; I182-I185 PolarHBondContact O-N 3.27Å; I182-L200 HydrophobicContact CD1-CD1 4.38Å; I182-L200 HydrophobicContact CD1-CD2 4.26Å; I182-L200 HydrophobicContact CG1-CD1 4.37Å; I182-L200 HydrophobicContact CG2-CD1 4.48Å
183R98.2Very high96.6Very high83 Ų8368.5 Ų68.531%0.31332%0.323SS..Hα-helixtrans-55.9-30.2-179.8-63.9-174.4-176.499.12.7112.8P46 L47 E49 F179 D180P46-R183 WeakPolarHBondContact CD-O 3.33Å; L47-R183 HydrophobicContact CB-CG 3.97Å; L47-R183 HydrophobicContact CD2-CG 3.9Å; E49-R183 IonicContact OE1-CZ 3.92Å; E49-R183 IonicContact OE1-NE 3.48Å; E49-R183 PolarHBondContact OE1-NE 3.02Å; E49-R183 VanDerWaalsContact OE1-NE 3.11Å; E49-R183 IonicContact OE1-NH2 3.61Å; E49-R183 PolarHBondContact OE1-NH2 2.87Å; F179-R183 PolarHBondContact O-N 3.43Å; F179-R183 VanDerWaalsContact O-N 3.1Å; D180-R183 PolarHBondContact O-N 3.08Å; D180-R183 WeakPolarHBondContact OD1-CD 3.49Å; D180-R183 IonicContact OD1-CZ 3.25Å; D180-R183 IonicContact OD1-NE 2.79Å; D180-R183 IonicContact OD1-NH1 3.34Å; D180-R183 PolarHBondContact OD1-NH1 3.11Å
184T97.1Very high96.4Very high106 Ų10670.8 Ų70.865%0.6534%0.34SS*.THydrogen-bonded Turntrans-90.9-0.9-178.155.50000114.5D180 Q181 I182 R186D180-T184 WeakPolarHBondContact O-CB 3.38Å; D180-T184 VanDerWaalsContact O-CG2 3.28Å; D180-T184 WeakPolarHBondContact O-CG2 3.3Å; D180-T184 PolarHBondContact O-N 3.11Å; D180-T184 PolarHBondContact O-OG1 3.05Å; Q181-T184 PolarHBondContact O-OG1 2.85Å; I182-T184 PolarHBondContact O-N 2.97Å; I182-T184 VanDerWaalsContact O-N 3.08Å; T184-R186 PolarHBondContact O-N 3.3Å
185I97.7Very high96.3Very high20 Ų2070.4 Ų70.410%0.10334%0.339CS..  trans-62.1121.2175.9-64.3169.3000109.8P46 L157 Q181 I182 L196 T197 L200P46-I185 HydrophobicContact CB-CB 4.16Å; P46-I185 HydrophobicContact CG-CB 4.32Å; P46-I185 WeakPolarHBondContact CG-O 3.44Å; L157-I185 HydrophobicContact CD1-CD1 3.76Å; L157-I185 HydrophobicContact CD1-CG2 3.79Å; Q181-I185 WeakPolarHBondContact O-CG1 3.27Å; I182-I185 HydrophobicContact CB-CD1 4.33Å; I182-I185 HydrophobicContact CG2-CD1 3.97Å; I182-I185 WeakPolarHBondContact O-CB 3.43Å; I182-I185 WeakPolarHBondContact O-CG1 3.17Å; I182-I185 PolarHBondContact O-N 3.27Å; I185-L196 HydrophobicContact CD1-CD2 4.31Å; I185-T197 HydrophobicContact CD1-CG2 3.96Å; I185-T197 HydrophobicContact CG1-CG2 4.33Å; I185-T197 HydrophobicContact CG2-CG2 3.95Å; I185-L200 HydrophobicContact CD1-CD1 4.07Å
186R96.6Very high96.4Very high225 Ų22567.1 Ų67.185%0.84932%0.324SS*.  trans-70.2133.6178.5-68.6-175.7175.9169.9-1111T184T184-R186 PolarHBondContact O-N 3.3Å
187R97.1Very high96.4Very high53 Ų5367 Ų6720%0.232%0.324CS..SBendtrans-122.5145.1168.1-68.7175.5-60.2138.521109.2F41 Q44 Y154 M155F41-R187 PolarHBondContact O-NH1 3.36Å; Q44-R187 PolarHBondContact O-NH1 3.17Å; Q44-R187 PolarHBondContact O-NH2 3.39Å; Y154-R187 WeakPolarHBondContact O-CD 3.38Å; Y154-R187 PolarHBondContact O-NH1 3.02Å; M155-R187 WeakPolarHBondContact O-CD 3.46Å
188P98Very high96.5Very high69 Ų6962.9 Ų62.945%0.44830%0.303SS..SBendcis-69.1133.27.727-34.3000113.8M153 Y154M153-P188 HydrophobicContact CB-CB 3.58Å; M153-P188 CarbonylContact O-C 3.54Å; M153-P188 VanDerWaalsContact O-CA 3.29Å; M153-P188 WeakPolarHBondContact O-CA 3.31Å; Y154-P188 HydrophobicContact CD1-CB 4.46Å; Y154-P188 HydrophobicContact CD2-CB 4.22Å; Y154-P188 HydrophobicContact CE1-CB 4.16Å; Y154-P188 HydrophobicContact CE1-CG 4.24Å; Y154-P188 HydrophobicContact CE2-CB 3.87Å; Y154-P188 HydrophobicContact CE2-CG 4.38Å
189L97.6Very high96.5Very high24 Ų2459.9 Ų59.913%0.12629%0.287CS..  trans-99.3105.7176.7-178.466000109.5R117 M153 L157 V191 T197R117-L189 PolarHBondContact NH1-O 3.25Å; M153-L189 WeakPolarHBondContact CG-O 3.24Å; M153-L189 PolarHBondContact O-N 3.37Å; L157-L189 HydrophobicContact CD1-CD2 3.85Å; L157-L189 HydrophobicContact CD2-CD2 4.44Å; L189-V191 VanDerWaalsContact CD1-O 3.27Å; L189-V191 WeakPolarHBondContact CD1-O 3.31Å; L189-T197 HydrophobicContact CD2-CG2 3.87Å
190K96.7Very high96.5Very high119 Ų11958.8 Ų58.852%0.51728%0.282SS..SBendtrans-71.5-47.3-178-172.8177.8177.4-177.10112.8F122 M153F122-K190 WeakPolarHBondContact CD1-O 3.2Å; M153-K190 HydrophobicContact CE-CB 4.28Å; M153-K190 HydrophobicContact CE-CG 3.74Å; M153-K190 HydrophobicContact SD-CB 4.23Å; M153-K190 HydrophobicContact SD-CG 4.31Å
191V93.3Very high96.5Very high36 Ų3655.2 Ų55.222%0.21826%0.263CS..SBendtrans-137.5143.7-176.9-179.80000107.4L189 Y193L189-V191 VanDerWaalsContact CD1-O 3.27Å; L189-V191 WeakPolarHBondContact CD1-O 3.31Å; V191-Y193 HydrophobicContact CB-CD1 4.01Å; V191-Y193 HydrophobicContact CB-CD2 4.06Å; V191-Y193 HydrophobicContact CB-CE1 3.62Å; V191-Y193 HydrophobicContact CB-CE2 3.69Å; V191-Y193 HydrophobicContact CB-CG 4.21Å; V191-Y193 VanDerWaalsContact CB-CZ 3.45Å; V191-Y193 HydrophobicContact CG1-CD1 3.7Å; V191-Y193 HydrophobicContact CG1-CE1 3.52Å; V191-Y193 HydrophobicContact CG1-CE2 4.45Å; V191-Y193 HydrophobicContact CG1-CG 4.24Å; V191-Y193 HydrophobicContact CG2-CE1 4.1Å; V191-Y193 HydrophobicContact CG2-CE2 4.24Å; V191-Y193 WeakPolarHBondContact O-CD2 3.04Å; V191-Y193 PolarHBondContact O-N 2.72Å
192P91.9Very high96.6Very high17 Ų1754.3 Ų54.311%0.1126%0.257CS..  trans-81.273178.833.7-29.6000110.1F122 S194 T197 V201F122-P192 HydrophobicContact CD1-CG 4.39Å; F122-P192 HydrophobicContact CE1-CB 4.19Å; F122-P192 VanDerWaalsContact CE1-CD 3.42Å; F122-P192 HydrophobicContact CE1-CG 3.95Å; F122-P192 HydrophobicContact CZ-CB 4.05Å; F122-P192 HydrophobicContact CZ-CG 4Å; P192-S194 PolarHBondContact O-N 2.85Å; P192-T197 VanDerWaalsContact C-OG1 3.26Å; P192-T197 VanDerWaalsContact CA-OG1 3.3Å; P192-T197 WeakPolarHBondContact CA-OG1 3.39Å; P192-V201 HydrophobicContact CG-CG2 4.47Å
193Y87.2Confident96.5Very high188 Ų18854.3 Ų54.374%0.73726%0.257SS*.  trans-70.5-28.1-172-66.7-63.3000114.5V191V191-Y193 HydrophobicContact CB-CD1 4.01Å; V191-Y193 HydrophobicContact CB-CD2 4.06Å; V191-Y193 HydrophobicContact CB-CE1 3.62Å; V191-Y193 HydrophobicContact CB-CE2 3.69Å; V191-Y193 HydrophobicContact CB-CG 4.21Å; V191-Y193 VanDerWaalsContact CB-CZ 3.45Å; V191-Y193 HydrophobicContact CG1-CD1 3.7Å; V191-Y193 HydrophobicContact CG1-CE1 3.52Å; V191-Y193 HydrophobicContact CG1-CE2 4.45Å; V191-Y193 HydrophobicContact CG1-CG 4.24Å; V191-Y193 HydrophobicContact CG2-CE1 4.1Å; V191-Y193 HydrophobicContact CG2-CE2 4.24Å; V191-Y193 WeakPolarHBondContact O-CD2 3.04Å; V191-Y193 PolarHBondContact O-N 2.72Å
194S94.1Very high96.6Very high51 Ų5150.5 Ų50.536%0.35724%0.243SC..SBendtrans-86.4153.2179.666.90000111.1P192 L196 T197 C198P192-S194 PolarHBondContact O-N 2.85Å; S194-L196 VanDerWaalsContact C-N 3.27Å; S194-L196 PolarHBondContact O-N 2.7Å; S194-T197 PolarHBondContact N-OG1 3.1Å; S194-T197 PolarHBondContact O-N 3Å; S194-T197 PolarHBondContact O-OG1 3.31Å; S194-T197 VanDerWaalsContact O-OG1 3.12Å; S194-T197 WeakPolarHBondContact OG-CG2 3.46Å; S194-T197 PolarHBondContact OG-N 3.19Å; S194-T197 VanDerWaalsContact OG-N 3.13Å; S194-T197 PolarHBondContact OG-OG1 2.88Å; S194-C198 WeakPolarHBondContact O-CB 3.32Å; S194-C198 PolarHBondContact O-N 2.89Å
195N95.4Very high96.6Very high78 Ų7846 Ų4642%0.41722%0.216SC..Hα-helixtrans-55.7-46.1174.5-61.2-40.7000110.4E175 T197 C198 D199E175-N195 HydrophobicContact CG-CB 4.42Å; E175-N195 WeakPolarHBondContact OE1-CB 2.99Å; E175-N195 PolarHBondContact OE1-ND2 2.95Å; N195-T197 PolarHBondContact O-N 2.8Å; N195-C198 PolarHBondContact O-N 2.98Å; N195-D199 VanDerWaalsContact O-CB 3.31Å; N195-D199 WeakPolarHBondContact O-CB 3.39Å; N195-D199 PolarHBondContact O-N 3.1Å
196L97.8Very high96.6Very high12 Ų1246.1 Ų46.16%0.06322%0.218CC..Hα-helixtrans-53.2-52.7175.3177.759000113.4E175 L176 Q181 I185 S194 C198 D199 L200E175-L196 PolarHBondContact OE2-N 3.23Å; L176-L196 HydrophobicContact CB-CD1 3.89Å; L176-L196 HydrophobicContact CD1-CD1 4.18Å; L176-L196 HydrophobicContact CD2-CD1 4.39Å; L176-L196 HydrophobicContact CG-CD1 4.39Å; Q181-L196 HydrophobicContact CB-CD2 3.96Å; I185-L196 HydrophobicContact CD1-CD2 4.31Å; S194-L196 VanDerWaalsContact C-N 3.27Å; S194-L196 PolarHBondContact O-N 2.7Å; L196-C198 VanDerWaalsContact C-N 3.3Å; L196-C198 PolarHBondContact O-N 3.11Å; L196-D199 PolarHBondContact O-N 2.98Å; L196-L200 HydrophobicContact CD1-CD1 4.16Å; L196-L200 HydrophobicContact CD1-CG 4.18Å; L196-L200 HydrophobicContact CG-CD1 4.31Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.06Å; L196-L200 VanDerWaalsContact O-N 3.1Å
197T98.2Very high96.6Very high5 Ų541.1 Ų41.13%0.03120%0.202CC..Hα-helixtrans-68.6-31.9-177.952.80000112.4L157 I185 L189 P192 S194 N195L157-T197 HydrophobicContact CD1-CG2 4.03Å; I185-T197 HydrophobicContact CD1-CG2 3.96Å; I185-T197 HydrophobicContact CG1-CG2 4.33Å; I185-T197 HydrophobicContact CG2-CG2 3.95Å; L189-T197 HydrophobicContact CD2-CG2 3.87Å; P192-T197 VanDerWaalsContact C-OG1 3.26Å; P192-T197 VanDerWaalsContact CA-OG1 3.3Å; P192-T197 WeakPolarHBondContact CA-OG1 3.39Å; S194-T197 PolarHBondContact N-OG1 3.1Å; S194-T197 PolarHBondContact O-N 3Å; S194-T197 PolarHBondContact O-OG1 3.31Å; S194-T197 VanDerWaalsContact O-OG1 3.12Å; S194-T197 WeakPolarHBondContact OG-CG2 3.46Å; S194-T197 PolarHBondContact OG-N 3.19Å; S194-T197 VanDerWaalsContact OG-N 3.13Å; S194-T197 PolarHBondContact OG-OG1 2.88Å; N195-T197 PolarHBondContact O-N 2.8Å
198C98.1Very high96.5Very high18 Ų1844.7 Ų44.712%0.12223%0.231CC..Hα-helixtrans-68.1-49.6175.2-166.60000110.9S194 N195 L196 L200 V201 W202 A219S194-C198 WeakPolarHBondContact O-CB 3.32Å; S194-C198 PolarHBondContact O-N 2.89Å; N195-C198 PolarHBondContact O-N 2.98Å; L196-C198 VanDerWaalsContact C-N 3.3Å; L196-C198 PolarHBondContact O-N 3.11Å; C198-L200 PolarHBondContact O-N 3.05Å; C198-V201 CarbonylContact O-C 3.55Å; C198-V201 WeakPolarHBondContact O-CG2 3.46Å; C198-V201 PolarHBondContact O-N 3.42Å; C198-W202 WeakPolarHBondContact O-CB 3.33Å; C198-W202 PolarHBondContact O-N 3.36Å; C198-A219 PolarHBondContact SG-O 3.24Å
199D98.5Very high96.5Very high1 Ų142.4 Ų42.41%0.00521%0.214CC..Hα-helixtrans-62.2-40.8-177.5-64.8-18000112.1G171 S173 N195 L196 V201 W202 A203 S220G171-D199 PolarHBondContact N-O 3.38Å; G171-D199 CarbonylContact O-C 3.55Å; S173-D199 WeakPolarHBondContact CA-OD2 3.35Å; S173-D199 WeakPolarHBondContact CB-OD2 3.27Å; S173-D199 PolarHBondContact OG-OD2 3.5Å; N195-D199 VanDerWaalsContact O-CB 3.31Å; N195-D199 WeakPolarHBondContact O-CB 3.39Å; N195-D199 PolarHBondContact O-N 3.1Å; L196-D199 PolarHBondContact O-N 2.98Å; D199-V201 PolarHBondContact O-N 2.63Å; D199-W202 PolarHBondContact O-N 2.58Å; D199-A203 HydrophobicContact CB-CB 3.95Å; D199-A203 VanDerWaalsContact O-CB 3.22Å; D199-A203 WeakPolarHBondContact O-CB 3.36Å; D199-A203 PolarHBondContact O-N 3.43Å; D199-S220 WeakPolarHBondContact CA-OG 3.31Å; D199-S220 PolarHBondContact OD1-OG 2.91Å
200L98.7Very high96.5Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-56.8-21.6175.9-73.5175.6000113.7L157 M168 H169 G170 G171 I182 I185 L196 C198L157-L200 HydrophobicContact CB-CD1 4.09Å; M168-L200 HydrophobicContact CB-CD2 4.09Å; M168-L200 HydrophobicContact CE-CD2 3.8Å; M168-L200 HydrophobicContact CG-CD2 4.25Å; H169-L200 PolarHBondContact N-O 2.95Å; G170-L200 WeakPolarHBondContact CA-O 3.49Å; G170-L200 PolarHBondContact N-O 3.04Å; G171-L200 WeakPolarHBondContact O-CA 3.49Å; I182-L200 HydrophobicContact CD1-CD1 4.38Å; I182-L200 HydrophobicContact CD1-CD2 4.26Å; I182-L200 HydrophobicContact CG1-CD1 4.37Å; I182-L200 HydrophobicContact CG2-CD1 4.48Å; I185-L200 HydrophobicContact CD1-CD1 4.07Å; L196-L200 HydrophobicContact CD1-CD1 4.16Å; L196-L200 HydrophobicContact CD1-CG 4.18Å; L196-L200 HydrophobicContact CG-CD1 4.31Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.5Å; L196-L200 PolarHBondContact O-N 3.06Å; L196-L200 VanDerWaalsContact O-N 3.1Å; C198-L200 PolarHBondContact O-N 3.05Å
201V98.5Very high96.6Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-120.1-7.4179.8-540000114.4N119 F122 L157 H169 P192 C198 D199N119-V201 HydrophobicContact CB-CB 4.31Å; N119-V201 HydrophobicContact CB-CG2 4.35Å; F122-V201 HydrophobicContact CE2-CG1 4.33Å; F122-V201 HydrophobicContact CE2-CG2 4.11Å; L157-V201 HydrophobicContact CD2-CG1 3.96Å; H169-V201 PolarHBondContact CD2-O 3.03Å; P192-V201 HydrophobicContact CG-CG2 4.47Å; C198-V201 CarbonylContact O-C 3.55Å; C198-V201 WeakPolarHBondContact O-CG2 3.46Å; C198-V201 PolarHBondContact O-N 3.42Å; D199-V201 PolarHBondContact O-N 2.63Å
202W98.3Very high96.8Very high35 Ų3544.5 Ų44.513%0.13323%0.232CC..Hα-helixtrans-133.5-15.3-176.6-73.4110.3000116.1N119 I125 C198 D199 N215 R217 A219 H244N119-W202 HydrophobicContact CB-CD2 3.9Å; N119-W202 VanDerWaalsContact CB-CE2 3.44Å; N119-W202 HydrophobicContact CB-CE3 4.33Å; N119-W202 HydrophobicContact CB-CH2 4.05Å; N119-W202 HydrophobicContact CB-CZ2 3.53Å; N119-W202 HydrophobicContact CB-CZ3 4.41Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.4Å; N119-W202 WeakPolarHBondContact ND2-CZ3 3.22Å; I125-W202 HydrophobicContact CD1-CH2 4Å; I125-W202 HydrophobicContact CD1-CZ2 3.65Å; I125-W202 HydrophobicContact CG1-CH2 4.48Å; I125-W202 HydrophobicContact CG1-CZ2 3.92Å; C198-W202 WeakPolarHBondContact O-CB 3.33Å; C198-W202 PolarHBondContact O-N 3.36Å; D199-W202 PolarHBondContact O-N 2.58Å; W202-N215 PolarHBondContact O-ND2 3.24Å; W202-R217 HydrophobicContact CE3-CB 4.31Å; W202-R217 HydrophobicContact CZ3-CB 4.44Å; W202-A219 HydrophobicContact CB-CB 4.16Å; W202-A219 HydrophobicContact CD2-CB 3.86Å; W202-A219 HydrophobicContact CE3-CB 4.25Å; W202-A219 HydrophobicContact CG-CB 3.84Å; W202-H244 AromaticContact CE3-CE1 3.67Å; W202-H244 AromaticContact CE3-NE2 3.72Å; W202-H244 AromaticContact CZ3-CE1 3.98Å
203A98.3Very high97.1Very high0 Ų048.8 Ų48.80%025%0.251CS..  trans-71.4149.5-176.400000111.6G170 G171 D199 S220 Y221 F223 R242G170-A203 CarbonylContact C-O 3.59Å; G171-A203 PolarHBondContact N-O 2.72Å; D199-A203 HydrophobicContact CB-CB 3.95Å; D199-A203 VanDerWaalsContact O-CB 3.22Å; D199-A203 WeakPolarHBondContact O-CB 3.36Å; D199-A203 PolarHBondContact O-N 3.43Å; A203-S220 WeakPolarHBondContact CA-OG 3.36Å; A203-S220 WeakPolarHBondContact CB-OG 3.23Å; A203-S220 PolarHBondContact N-OG 2.86Å; A203-Y221 CarbonylContact C-O 3.3Å; A203-Y221 WeakPolarHBondContact CA-O 3.39Å; A203-Y221 WeakPolarHBondContact CB-O 3.09Å; A203-F223 HydrophobicContact CB-CD1 4.33Å; A203-F223 HydrophobicContact CB-CE1 4.01Å; A203-R242 PolarHBondContact O-NH2 3.07Å
204D98.3Very high97.5Very high4 Ų449.3 Ų49.32%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-129.6135.7-174.9-67.3-65.6000113.3R217 Y221 M222 F223 R242 H244 Q245D204-R217 IonicContact OD1-CZ 3.69Å; D204-R217 IonicContact OD1-NE 3.29Å; D204-R217 PolarHBondContact OD1-NE 3.05Å; D204-R217 IonicContact OD1-NH2 3.79Å; D204-R217 PolarHBondContact OD1-NH2 2.94Å; D204-R217 WeakPolarHBondContact OD2-CD 3.06Å; D204-R217 IonicContact OD2-CZ 3.94Å; D204-R217 IonicContact OD2-NE 3.46Å; D204-R217 PolarHBondContact OD2-NE 2.85Å; D204-R217 IonicContact OD2-NH2 2.88Å; D204-Y221 PolarHBondContact N-O 2.65Å; D204-M222 HydrophobicContact CB-CG 4.17Å; D204-M222 CarbonylContact O-C 3.53Å; D204-M222 WeakPolarHBondContact O-CA 3.34Å; D204-F223 VanDerWaalsContact C-CE1 3.47Å; D204-F223 WeakPolarHBondContact O-CD1 3.42Å; D204-F223 PolarHBondContact O-N 2.98Å; D204-R242 IonicContact OD1-CZ 3.05Å; D204-R242 IonicContact OD1-NH1 3.07Å; D204-R242 IonicContact OD1-NH2 2.72Å; D204-R242 PolarHBondContact OD1-NH2 2.96Å; D204-H244 IonicContact OD1-CD2 2.76Å; D204-H244 PolarHBondContact OD1-CD2 3.37Å; D204-Q245 WeakPolarHBondContact OD1-CG 3.3Å
205P98.2Very high97.5Very high12 Ų1247.3 Ų47.38%0.07824%0.237CC..EExtended strand (participates in β ladder)trans-67145.3165.429.3-34000110.8F223 F254 L259P205-F223 WeakPolarHBondContact CA-O 3.19Å; P205-F223 HydrophobicContact CB-CD2 4.41Å; P205-F223 HydrophobicContact CB-CE2 3.76Å; P205-F223 HydrophobicContact CB-CZ 3.99Å; P205-F223 HydrophobicContact CG-CZ 4.45Å; P205-F254 HydrophobicContact CB-CD1 3.99Å; P205-F254 HydrophobicContact CB-CD2 4.35Å; P205-F254 HydrophobicContact CB-CE1 3.91Å; P205-F254 HydrophobicContact CB-CE2 4.28Å; P205-F254 HydrophobicContact CB-CG 4.2Å; P205-F254 HydrophobicContact CB-CZ 4.05Å; P205-L259 HydrophobicContact CB-CD1 4.26Å; P205-L259 HydrophobicContact CB-CD2 4.33Å; P205-L259 HydrophobicContact CG-CD1 4.42Å; P205-L259 HydrophobicContact CG-CD2 4.01Å
206C97.7Very high97.5Very high22 Ų2251.2 Ų51.215%0.14926%0.256CS..  trans-143.5122.6177.7-175.70000112T208 I209 M222 F223C206-T208 VanDerWaalsContact C-N 3.31Å; C206-T208 PolarHBondContact O-N 2.89Å; C206-T208 PolarHBondContact SG-OG1 3.4Å; C206-I209 HydrophobicContact CB-CD1 4.02Å; C206-I209 HydrophobicContact CB-CG1 3.96Å; C206-M222 HydrophobicContact CB-CB 3.91Å; C206-M222 HydrophobicContact CB-CG 4.18Å; C206-M222 HydrophobicContact CB-SD 4.05Å; C206-F223 PolarHBondContact N-O 2.85Å
207K95.7Very high97.2Very high119 Ų11955.2 Ų55.252%0.51727%0.27SS..THydrogen-bonded Turntrans-70.9-21.8-175.6-70.6177175.4169.50114E252 F254K207-E252 IonicContact NZ-OE1 2.71Å; K207-E252 PolarHBondContact NZ-OE1 3.21Å; K207-F254 HydrophobicContact CB-CE2 4.25Å; K207-F254 HydrophobicContact CG-CD2 3.69Å; K207-F254 HydrophobicContact CG-CE2 3.49Å; K207-F254 VanDerWaalsContact CG-CE2 3.49Å
208T96.3Very high97Very high129 Ų12958.6 Ų58.679%0.79131%0.306SS*.THydrogen-bonded Turntrans-98.15.3-169.955.50000113.8C206C206-T208 VanDerWaalsContact C-N 3.31Å; C206-T208 PolarHBondContact O-N 2.89Å; C206-T208 PolarHBondContact SG-OG1 3.4Å
209I97.5Very high96.7Very high21 Ų2159.8 Ų59.811%0.10832%0.317CS..  trans-123.3157.2-177.674.4171.8000111C206 Q213 M222 G224C206-I209 HydrophobicContact CB-CD1 4.02Å; C206-I209 HydrophobicContact CB-CG1 3.96Å; I209-Q213 HydrophobicContact CD1-CB 3.88Å; I209-Q213 VanDerWaalsContact CG2-OE1 3.23Å; I209-M222 HydrophobicContact CD1-CB 3.59Å; I209-G224 WeakPolarHBondContact O-CA 3.24Å
210V97.9Very high96.6Very high128 Ų12860 Ų6078%0.77632%0.319SS*.SBendtrans-116130.9169.81780000108
211G98.1Very high96.6Very high16 Ų1663 Ų6317%0.16533%0.331CS..SBendtrans77.6-138.8-175.900000112.2F223 G224 N226 V227G211-F223 WeakPolarHBondContact O-CA 3.34Å; G211-G224 PolarHBondContact O-N 3.24Å; G211-N226 PolarHBondContact N-ND2 3.15Å; G211-N226 PolarHBondContact N-OD1 3.46Å; G211-V227 VanDerWaalsContact CA-CG2 3.48Å; G211-V227 WeakPolarHBondContact O-CG2 3.4Å
212W98.1Very high96.6Very high78 Ų7864.1 Ų64.130%0.29534%0.336SS..EExtended strand (participates in β ladder)trans-115.9141.7-174.5-61.189.2000111.4I172 M174 M222 F223 V227I172-W212 HydrophobicContact CD1-CH2 4.25Å; I172-W212 HydrophobicContact CG1-CH2 3.92Å; I172-W212 WeakPolarHBondContact O-CH2 3.41Å; I172-W212 WeakPolarHBondContact O-CZ3 3.2Å; M174-W212 HydrophobicContact CB-CZ2 4.33Å; M174-W212 HydrophobicContact CE-CE3 4.46Å; M174-W212 HydrophobicContact CG-CB 4.44Å; M174-W212 HydrophobicContact CG-CD2 3.28Å; M174-W212 HydrophobicContact CG-CE3 3.76Å; M174-W212 HydrophobicContact CG-CG 3.6Å; M174-W212 HydrophobicContact CG-CH2 4.1Å; M174-W212 HydrophobicContact CG-CZ2 3.64Å; M174-W212 HydrophobicContact CG-CZ3 4.15Å; M174-W212 HydrophobicContact SD-CB 3.91Å; M174-W212 HydrophobicContact SD-CD2 3.92Å; M174-W212 HydrophobicContact SD-CE3 4.41Å; M174-W212 HydrophobicContact SD-CG 3.68Å; W212-M222 WeakPolarHBondContact CA-O 3.17Å; W212-F223 HydrophobicContact CD2-CB 4.08Å; W212-F223 HydrophobicContact CE3-CB 3.69Å; W212-F223 HydrophobicContact CE3-CD1 4.48Å; W212-F223 HydrophobicContact CH2-CB 4.15Å; W212-F223 HydrophobicContact CH2-CD1 4.38Å; W212-F223 HydrophobicContact CH2-CG 4.43Å; W212-F223 HydrophobicContact CZ3-CB 3.72Å; W212-F223 AromaticContact CZ3-CD1 3.85Å; W212-F223 HydrophobicContact CZ3-CD1 3.85Å; W212-F223 HydrophobicContact CZ3-CG 4.11Å; W212-V227 HydrophobicContact CD2-CG1 4.36Å; W212-V227 VanDerWaalsContact CE2-CG1 3.44Å; W212-V227 HydrophobicContact CH2-CG1 4.02Å; W212-V227 HydrophobicContact CZ2-CG1 3.25Å
213Q97.5Very high96.6Very high107 Ų10762.5 Ų62.550%0.533%0.33SS..EExtended strand (participates in β ladder)trans-142152.5174.8-175171.5-4.300109.7I209 N215 Y221 M222I209-Q213 HydrophobicContact CD1-CB 3.88Å; I209-Q213 VanDerWaalsContact CG2-OE1 3.23Å; Q213-N215 PolarHBondContact O-N 3.23Å; Q213-Y221 CarbonylContact O-C 3.55Å; Q213-Y221 WeakPolarHBondContact O-CA 3.11Å; Q213-Y221 WeakPolarHBondContact O-CB 3.27Å; Q213-M222 HydrophobicContact CB-CE 4.22Å; Q213-M222 HydrophobicContact CG-CE 4.15Å; Q213-M222 PolarHBondContact N-O 3.34Å; Q213-M222 PolarHBondContact O-N 3.47Å
214R96.9Very high96.6Very high199 Ų19962.5 Ų62.575%0.75133%0.33SS*.EExtended strand (participates in β ladder)trans-59.7135.7173.1-75.1-173.6172.8178.8-1.6111.1Y221 M222R214-Y221 HydrophobicContact CG-CD1 4.46Å; R214-Y221 HydrophobicContact CG-CE1 4.16Å; R214-M222 WeakPolarHBondContact O-CE 3.36Å
215N94.2Very high96.6Very high9 Ų965.6 Ų65.65%0.04835%0.345CS..  trans-75.2157.717874.31.7000112.4W202 Q213 R217 G218 A219 S220 M222W202-N215 PolarHBondContact O-ND2 3.24Å; Q213-N215 PolarHBondContact O-N 3.23Å; N215-R217 PolarHBondContact O-N 2.96Å; N215-R217 PolarHBondContact OD1-N 3.27Å; N215-G218 PolarHBondContact O-N 3.31Å; N215-G218 PolarHBondContact OD1-N 3.46Å; N215-A219 PolarHBondContact OD1-N 2.99Å; N215-S220 VanDerWaalsContact CG-C 3.47Å; N215-S220 VanDerWaalsContact CG-O 3.32Å; N215-S220 PolarHBondContact N-O 3.45Å; N215-S220 PolarHBondContact OD1-N 3.15Å; N215-S220 VanDerWaalsContact OD1-N 3.11Å; N215-S220 PolarHBondContact OD1-O 3.09Å; N215-S220 VanDerWaalsContact OD1-O 3.1Å; N215-M222 HydrophobicContact CB-CG 3.73Å
216I93.7Very high96.6Very high161 Ų16168.2 Ų68.283%0.82636%0.358SS*.THydrogen-bonded Turntrans-68.8-10.8177.962.9171.3000113G218I216-G218 VanDerWaalsContact C-N 3.28Å
217R92.8Very high96.6Very high95 Ų9567.6 Ų67.636%0.35835%0.354SS..THydrogen-bonded Turntrans-77.5-16.4177.1-49.3-174.8-172.8-108.211.4112.4W202 D204 N215 A219 H244W202-R217 HydrophobicContact CE3-CB 4.31Å; W202-R217 HydrophobicContact CZ3-CB 4.44Å; D204-R217 IonicContact OD1-CZ 3.69Å; D204-R217 IonicContact OD1-NE 3.29Å; D204-R217 PolarHBondContact OD1-NE 3.05Å; D204-R217 IonicContact OD1-NH2 3.79Å; D204-R217 PolarHBondContact OD1-NH2 2.94Å; D204-R217 WeakPolarHBondContact OD2-CD 3.06Å; D204-R217 IonicContact OD2-CZ 3.94Å; D204-R217 IonicContact OD2-NE 3.46Å; D204-R217 PolarHBondContact OD2-NE 2.85Å; D204-R217 IonicContact OD2-NH2 2.88Å; N215-R217 PolarHBondContact O-N 2.96Å; N215-R217 PolarHBondContact OD1-N 3.27Å; R217-A219 VanDerWaalsContact C-N 3.25Å; R217-A219 PolarHBondContact O-N 2.83Å; R217-H244 VanDerWaalsContact CD-NE2 3.34Å; R217-H244 WeakPolarHBondContact CD-NE2 3.25Å; R217-H244 PolarHBondContact NE-NE2 2.97Å; R217-H244 PolarHBondContact NH1-NE2 3.06Å; R217-H244 PolarHBondContact NH2-CD2 3.47Å; R217-H244 PolarHBondContact NH2-NE2 3.27Å; R217-H244 PolarHBondContact NH2-O 3.43Å; R217-H244 VanDerWaalsContact NH2-O 3.09Å
218G93.3Very high96.8Very high76 Ų7662 Ų6278%0.78433%0.329SS*.SBendtrans7216.2-178.700000114.3N215 I216N215-G218 PolarHBondContact O-N 3.31Å; N215-G218 PolarHBondContact OD1-N 3.46Å; I216-G218 VanDerWaalsContact C-N 3.28Å
219A92.8Very high96.9Very high43 Ų4358.9 Ų58.936%0.35531%0.306SS..SBendtrans-118.4-29.9-174.700000113.6C198 W202 N215 R217C198-A219 PolarHBondContact SG-O 3.24Å; W202-A219 HydrophobicContact CB-CB 4.16Å; W202-A219 HydrophobicContact CD2-CB 3.86Å; W202-A219 HydrophobicContact CE3-CB 4.25Å; W202-A219 HydrophobicContact CG-CB 3.84Å; N215-A219 PolarHBondContact OD1-N 2.99Å; R217-A219 VanDerWaalsContact C-N 3.25Å; R217-A219 PolarHBondContact O-N 2.83Å
220S96.7Very high96.9Very high7 Ų763.8 Ų63.85%0.04933%0.328CS..SBendtrans-153.3-152.2-169.6174.70000110D199 A203 N215D199-S220 WeakPolarHBondContact CA-OG 3.31Å; D199-S220 PolarHBondContact OD1-OG 2.91Å; A203-S220 WeakPolarHBondContact CA-OG 3.36Å; A203-S220 WeakPolarHBondContact CB-OG 3.23Å; A203-S220 PolarHBondContact N-OG 2.86Å; N215-S220 VanDerWaalsContact CG-C 3.47Å; N215-S220 VanDerWaalsContact CG-O 3.32Å; N215-S220 PolarHBondContact N-O 3.45Å; N215-S220 PolarHBondContact OD1-N 3.15Å; N215-S220 VanDerWaalsContact OD1-N 3.11Å; N215-S220 PolarHBondContact OD1-O 3.09Å; N215-S220 VanDerWaalsContact OD1-O 3.1Å
221Y97.3Very high97Very high62 Ų6258.4 Ų58.424%0.24329%0.294CS..EExtended strand (participates in β ladder)trans-121.2148.7-173.3-63.1-92.4000111.7M174 A203 D204 Q213 R214M174-Y221 HydrophobicContact CE-CD1 3.67Å; M174-Y221 HydrophobicContact CE-CD2 3.5Å; M174-Y221 VanDerWaalsContact CE-CD2 3.5Å; M174-Y221 HydrophobicContact CE-CE1 3.63Å; M174-Y221 HydrophobicContact CE-CE2 3.46Å; M174-Y221 VanDerWaalsContact CE-CE2 3.46Å; M174-Y221 HydrophobicContact CE-CG 3.61Å; A203-Y221 CarbonylContact C-O 3.3Å; A203-Y221 WeakPolarHBondContact CA-O 3.39Å; A203-Y221 WeakPolarHBondContact CB-O 3.09Å; D204-Y221 PolarHBondContact N-O 2.65Å; Q213-Y221 CarbonylContact O-C 3.55Å; Q213-Y221 WeakPolarHBondContact O-CA 3.11Å; Q213-Y221 WeakPolarHBondContact O-CB 3.27Å; R214-Y221 HydrophobicContact CG-CD1 4.46Å; R214-Y221 HydrophobicContact CG-CE1 4.16Å
222M98.1Very high97Very high24 Ų2457.8 Ų57.812%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-86.6151.1157.7-67.9174.9-5100110.1D204 C206 I209 W212 Q213 R214 N215D204-M222 HydrophobicContact CB-CG 4.17Å; D204-M222 CarbonylContact O-C 3.53Å; D204-M222 WeakPolarHBondContact O-CA 3.34Å; C206-M222 HydrophobicContact CB-CB 3.91Å; C206-M222 HydrophobicContact CB-CG 4.18Å; C206-M222 HydrophobicContact CB-SD 4.05Å; I209-M222 HydrophobicContact CD1-CB 3.59Å; W212-M222 WeakPolarHBondContact CA-O 3.17Å; Q213-M222 HydrophobicContact CB-CE 4.22Å; Q213-M222 HydrophobicContact CG-CE 4.15Å; Q213-M222 PolarHBondContact N-O 3.34Å; Q213-M222 PolarHBondContact O-N 3.47Å; R214-M222 WeakPolarHBondContact O-CE 3.36Å; N215-M222 HydrophobicContact CB-CG 3.73Å
223F98.6Very high97Very high0 Ų061.8 Ų61.80%031%0.309CS..EExtended strand (participates in β ladder)trans-134.1141174.253.5-90.4000112.6I172 A203 D204 P205 C206 G211 W212 V227 V228 L259I172-F223 HydrophobicContact CD1-CD2 4.02Å; I172-F223 HydrophobicContact CD1-CE2 4.15Å; I172-F223 HydrophobicContact CD1-CG 4.34Å; I172-F223 HydrophobicContact CG1-CD1 4Å; I172-F223 HydrophobicContact CG1-CD2 3.99Å; I172-F223 HydrophobicContact CG1-CE1 3.9Å; I172-F223 HydrophobicContact CG1-CE2 3.87Å; I172-F223 HydrophobicContact CG1-CG 4.05Å; I172-F223 HydrophobicContact CG1-CZ 3.83Å; A203-F223 HydrophobicContact CB-CD1 4.33Å; A203-F223 HydrophobicContact CB-CE1 4.01Å; D204-F223 VanDerWaalsContact C-CE1 3.47Å; D204-F223 WeakPolarHBondContact O-CD1 3.42Å; D204-F223 PolarHBondContact O-N 2.98Å; P205-F223 WeakPolarHBondContact CA-O 3.19Å; P205-F223 HydrophobicContact CB-CD2 4.41Å; P205-F223 HydrophobicContact CB-CE2 3.76Å; P205-F223 HydrophobicContact CB-CZ 3.99Å; P205-F223 HydrophobicContact CG-CZ 4.45Å; C206-F223 PolarHBondContact N-O 2.85Å; G211-F223 WeakPolarHBondContact O-CA 3.34Å; W212-F223 HydrophobicContact CD2-CB 4.08Å; W212-F223 HydrophobicContact CE3-CB 3.69Å; W212-F223 HydrophobicContact CE3-CD1 4.48Å; W212-F223 HydrophobicContact CH2-CB 4.15Å; W212-F223 HydrophobicContact CH2-CD1 4.38Å; W212-F223 HydrophobicContact CH2-CG 4.43Å; W212-F223 HydrophobicContact CZ3-CB 3.72Å; W212-F223 AromaticContact CZ3-CD1 3.85Å; W212-F223 HydrophobicContact CZ3-CD1 3.85Å; W212-F223 HydrophobicContact CZ3-CG 4.11Å; F223-V227 HydrophobicContact CB-CB 4.06Å; F223-V227 HydrophobicContact CB-CG1 4Å; F223-V227 HydrophobicContact CB-CG2 4.26Å; F223-V228 HydrophobicContact CD2-CG2 3.67Å; F223-V228 HydrophobicContact CE2-CG2 3.58Å; F223-L259 HydrophobicContact CE2-CD1 3.75Å; F223-L259 HydrophobicContact CZ-CD1 3.99Å
224G98.4Very high97Very high0 Ų061 Ų610%031%0.312CS..  trans-81.3171.7179.600000114.1I209 G211 N226 V227 V228I209-G224 WeakPolarHBondContact O-CA 3.24Å; G211-G224 PolarHBondContact O-N 3.24Å; G224-N226 VanDerWaalsContact C-N 3.27Å; G224-N226 PolarHBondContact O-N 2.81Å; G224-V227 WeakPolarHBondContact O-CB 3.5Å; G224-V227 PolarHBondContact O-N 3.35Å; G224-V227 VanDerWaalsContact O-N 3.12Å; G224-V228 PolarHBondContact O-N 2.94Å
225E98.6Very high97Very high70 Ų7052.1 Ų52.133%0.32728%0.279SS..Hα-helixtrans-60.1-37.7179.7-66.6-169.9155.600112.4V227 V228 H229 F254 A255E225-V227 VanDerWaalsContact C-N 3.25Å; E225-V227 PolarHBondContact O-N 3.4Å; E225-V228 WeakPolarHBondContact O-CB 3.43Å; E225-V228 PolarHBondContact O-N 3.07Å; E225-V228 VanDerWaalsContact O-N 3.09Å; E225-H229 PolarHBondContact O-CD2 3.03Å; E225-H229 PolarHBondContact O-N 3.1Å; E225-F254 HydrophobicContact CB-CE1 4.2Å; E225-F254 HydrophobicContact CB-CZ 4.13Å; E225-F254 HydrophobicContact CG-CD1 4.18Å; E225-F254 HydrophobicContact CG-CD2 4.1Å; E225-F254 HydrophobicContact CG-CE1 3.62Å; E225-F254 HydrophobicContact CG-CE2 3.52Å; E225-F254 HydrophobicContact CG-CG 4.41Å; E225-F254 HydrophobicContact CG-CZ 3.27Å; E225-A255 HydrophobicContact CB-CB 3.87Å; E225-A255 HydrophobicContact CG-CB 3.98Å; E225-A255 PolarHBondContact OE1-N 3.37Å
226N98.4Very high97.2Very high66 Ų6656.8 Ų56.835%0.35330%0.304SS..Hα-helixtrans-59.5-36.2177.468-62.2000112.5G211 G224 Q230G211-N226 PolarHBondContact N-ND2 3.15Å; G211-N226 PolarHBondContact N-OD1 3.46Å; G224-N226 VanDerWaalsContact C-N 3.27Å; G224-N226 PolarHBondContact O-N 2.81Å; N226-Q230 WeakPolarHBondContact O-CB 3.45Å; N226-Q230 PolarHBondContact O-N 2.93Å; N226-Q230 VanDerWaalsContact O-N 3.08Å
227V98.5Very high97.5Very high10 Ų1049.4 Ų49.46%0.06127%0.266CS..Hα-helixtrans-65.9-43.3175.9179.50000110.3I172 G211 W212 F223 G224 E225 Q230 F231I172-V227 HydrophobicContact CD1-CG1 3.75Å; G211-V227 VanDerWaalsContact CA-CG2 3.48Å; G211-V227 WeakPolarHBondContact O-CG2 3.4Å; W212-V227 HydrophobicContact CD2-CG1 4.36Å; W212-V227 VanDerWaalsContact CE2-CG1 3.44Å; W212-V227 HydrophobicContact CH2-CG1 4.02Å; W212-V227 HydrophobicContact CZ2-CG1 3.25Å; F223-V227 HydrophobicContact CB-CB 4.06Å; F223-V227 HydrophobicContact CB-CG1 4Å; F223-V227 HydrophobicContact CB-CG2 4.26Å; G224-V227 WeakPolarHBondContact O-CB 3.5Å; G224-V227 PolarHBondContact O-N 3.35Å; G224-V227 VanDerWaalsContact O-N 3.12Å; E225-V227 VanDerWaalsContact C-N 3.25Å; E225-V227 PolarHBondContact O-N 3.4Å; V227-Q230 PolarHBondContact O-N 3.32Å; V227-F231 WeakPolarHBondContact O-CB 3.29Å; V227-F231 PolarHBondContact O-N 3Å
228V98.7Very high97.7Very high0 Ų048.5 Ų48.50%027%0.268CS..Hα-helixtrans-62.6-45.9177.9172.80000111.2I172 F223 G224 E225 Q230 F231 C232 I240 F254 A255 K258 L259I172-V228 HydrophobicContact CD1-CG2 4.46Å; F223-V228 HydrophobicContact CD2-CG2 3.67Å; F223-V228 HydrophobicContact CE2-CG2 3.58Å; G224-V228 PolarHBondContact O-N 2.94Å; E225-V228 WeakPolarHBondContact O-CB 3.43Å; E225-V228 PolarHBondContact O-N 3.07Å; E225-V228 VanDerWaalsContact O-N 3.09Å; V228-Q230 PolarHBondContact O-N 3.3Å; V228-F231 PolarHBondContact O-N 2.74Å; V228-C232 WeakPolarHBondContact O-CB 3.42Å; V228-C232 PolarHBondContact O-N 3.42Å; V228-C232 PolarHBondContact O-SG 2.82Å; V228-C232 VanDerWaalsContact O-SG 3.39Å; V228-I240 HydrophobicContact CG1-CD1 4.12Å; V228-F254 HydrophobicContact CB-CE1 4.45Å; V228-F254 HydrophobicContact CG2-CD1 3.98Å; V228-F254 HydrophobicContact CG2-CE1 3.7Å; V228-A255 HydrophobicContact CB-CB 3.74Å; V228-A255 HydrophobicContact CG1-CB 3.65Å; V228-A255 HydrophobicContact CG2-CB 4.42Å; V228-K258 HydrophobicContact CG1-CB 3.72Å; V228-L259 HydrophobicContact CG1-CB 4.15Å; V228-L259 HydrophobicContact CG2-CD1 4.18Å
229H98.5Very high98Very high65 Ų6546 Ų4630%0.30124%0.237SC..Hα-helixtrans-57.3-49.5176.8-77.5-70.2000112.1E225 Q233 A255 K258E225-H229 PolarHBondContact O-CD2 3.03Å; E225-H229 PolarHBondContact O-N 3.1Å; H229-Q233 PolarHBondContact O-N 3.47Å; H229-A255 PolarHBondContact CE1-O 3.01Å; H229-K258 WeakPolarHBondContact ND1-CD 3.3Å
230Q98.3Very high98.3Very high124 Ų12444 Ų4458%0.57922%0.22SC*.Hα-helixtrans-63.5-44.7178.1-177.5179.7-6.900111.5N226 V227 V228 Q233 V234N226-Q230 WeakPolarHBondContact O-CB 3.45Å; N226-Q230 PolarHBondContact O-N 2.93Å; N226-Q230 VanDerWaalsContact O-N 3.08Å; V227-Q230 PolarHBondContact O-N 3.32Å; V228-Q230 PolarHBondContact O-N 3.3Å; Q230-Q233 PolarHBondContact O-N 3.23Å; Q230-V234 HydrophobicContact CG-CG2 4.29Å; Q230-V234 WeakPolarHBondContact O-CG2 3.15Å; Q230-V234 PolarHBondContact O-N 3.19Å
231F98.6Very high98.4Very high14 Ų1443.7 Ų43.76%0.06122%0.217CC..Hα-helixtrans-61.9-48.3-179-177.6-86.9000111.6L166 I172 L176 V227 V228 Q233 V234 M235 I237 I240L166-F231 HydrophobicContact CD2-CE1 3.6Å; L166-F231 HydrophobicContact CD2-CZ 3.66Å; I172-F231 HydrophobicContact CB-CD2 4.16Å; I172-F231 HydrophobicContact CB-CE1 4.46Å; I172-F231 HydrophobicContact CB-CE2 4.03Å; I172-F231 HydrophobicContact CB-CG 4.43Å; I172-F231 HydrophobicContact CB-CZ 4.18Å; I172-F231 HydrophobicContact CD1-CB 3.82Å; I172-F231 HydrophobicContact CD1-CD1 4.33Å; I172-F231 HydrophobicContact CD1-CD2 4.04Å; I172-F231 HydrophobicContact CD1-CG 3.8Å; I172-F231 HydrophobicContact CG2-CD1 3.81Å; I172-F231 HydrophobicContact CG2-CD2 4.19Å; I172-F231 HydrophobicContact CG2-CE1 3.51Å; I172-F231 HydrophobicContact CG2-CE2 3.92Å; I172-F231 HydrophobicContact CG2-CG 4.13Å; I172-F231 HydrophobicContact CG2-CZ 3.56Å; L176-F231 HydrophobicContact CB-CE2 4.08Å; L176-F231 HydrophobicContact CD2-CE2 3.88Å; L176-F231 HydrophobicContact CD2-CZ 3.63Å; L176-F231 HydrophobicContact CG-CE2 3.9Å; L176-F231 HydrophobicContact CG-CZ 4.04Å; L176-F231 WeakPolarHBondContact O-CE2 3.33Å; V227-F231 WeakPolarHBondContact O-CB 3.29Å; V227-F231 PolarHBondContact O-N 3Å; V228-F231 PolarHBondContact O-N 2.74Å; F231-Q233 PolarHBondContact O-N 3.36Å; F231-V234 PolarHBondContact O-N 3.43Å; F231-M235 HydrophobicContact CD1-CB 4.48Å; F231-M235 HydrophobicContact CD1-CG 3.98Å; F231-M235 HydrophobicContact CD2-CG 4.05Å; F231-M235 HydrophobicContact CE1-CB 4.19Å; F231-M235 HydrophobicContact CE1-CG 3.65Å; F231-M235 HydrophobicContact CE2-CG 3.73Å; F231-M235 HydrophobicContact CE2-SD 4.3Å; F231-M235 HydrophobicContact CG-CG 4.17Å; F231-M235 HydrophobicContact CZ-CB 4.47Å; F231-M235 HydrophobicContact CZ-CE 4.34Å; F231-M235 HydrophobicContact CZ-CG 3.53Å; F231-M235 HydrophobicContact CZ-SD 4.31Å; F231-M235 VanDerWaalsContact O-CB 3.32Å; F231-M235 WeakPolarHBondContact O-CB 3.48Å; F231-M235 VanDerWaalsContact O-CG 3.3Å; F231-M235 WeakPolarHBondContact O-CG 3.44Å; F231-M235 PolarHBondContact O-N 3.48Å; F231-I237 HydrophobicContact CD1-CD1 4.21Å; F231-I237 HydrophobicContact CE1-CD1 3.86Å; F231-I240 HydrophobicContact CD1-CD1 3.86Å; F231-I240 HydrophobicContact CD1-CG1 4.4Å; F231-I240 HydrophobicContact CE1-CD1 4.26Å; F231-I240 HydrophobicContact CE1-CG1 4.45Å
232C98.5Very high98.4Very high3 Ų340.7 Ų40.72%0.0221%0.206CC..Hα-helixtrans-59.8-36.6177.2-72.30000112.3V228 D236 I237 K258V228-C232 WeakPolarHBondContact O-CB 3.42Å; V228-C232 PolarHBondContact O-N 3.42Å; V228-C232 PolarHBondContact O-SG 2.82Å; V228-C232 VanDerWaalsContact O-SG 3.39Å; C232-D236 WeakPolarHBondContact O-CA 3.45Å; C232-D236 PolarHBondContact O-N 3.3Å; C232-D236 VanDerWaalsContact O-N 3.14Å; C232-I237 HydrophobicContact CB-CG1 4.25Å; C232-I237 WeakPolarHBondContact CB-O 3.5Å; C232-I237 PolarHBondContact O-N 2.94Å; C232-K258 HydrophobicContact CB-CD 4.08Å
233Q97.9Very high98.5Very high163 Ų16339.6 Ų39.676%0.76220%0.2SC*.Hα-helixtrans-68.3-47.1175.6-177.2-178.9-3.200112H229 Q230 F231 D236H229-Q233 PolarHBondContact O-N 3.47Å; Q230-Q233 PolarHBondContact O-N 3.23Å; F231-Q233 PolarHBondContact O-N 3.36Å; Q233-D236 PolarHBondContact O-N 2.85Å
234V97.8Very high98.5Very high90 Ų9040 Ų4055%0.54520%0.202SC..Hα-helixtrans-66.6-40-178.2168.90000111.6Q230 F231 D236Q230-V234 HydrophobicContact CG-CG2 4.29Å; Q230-V234 WeakPolarHBondContact O-CG2 3.15Å; Q230-V234 PolarHBondContact O-N 3.19Å; F231-V234 PolarHBondContact O-N 3.43Å; V234-D236 VanDerWaalsContact C-N 3.33Å
235M98.2Very high98.4Very high13 Ų1342.5 Ų42.56%0.06421%0.214CC..THydrogen-bonded Turntrans-88.3-0.4-177.2-59.3-65.7-64.400113.4L176 N177 F179 F231 I237L176-M235 HydrophobicContact CD1-CE 4.46Å; L176-M235 HydrophobicContact CG-CE 4.33Å; N177-M235 VanDerWaalsContact O-SD 3.38Å; F179-M235 HydrophobicContact CD1-CE 3.56Å; F179-M235 HydrophobicContact CD2-CE 4.02Å; F179-M235 HydrophobicContact CE1-CE 3.44Å; F179-M235 VanDerWaalsContact CE1-CE 3.44Å; F179-M235 HydrophobicContact CE2-CB 4.49Å; F179-M235 HydrophobicContact CE2-CE 3.94Å; F179-M235 WeakPolarHBondContact CE2-O 3.49Å; F179-M235 HydrophobicContact CG-CE 3.83Å; F179-M235 HydrophobicContact CZ-CB 4.1Å; F179-M235 HydrophobicContact CZ-CE 3.65Å; F231-M235 HydrophobicContact CD1-CB 4.48Å; F231-M235 HydrophobicContact CD1-CG 3.98Å; F231-M235 HydrophobicContact CD2-CG 4.05Å; F231-M235 HydrophobicContact CE1-CB 4.19Å; F231-M235 HydrophobicContact CE1-CG 3.65Å; F231-M235 HydrophobicContact CE2-CG 3.73Å; F231-M235 HydrophobicContact CE2-SD 4.3Å; F231-M235 HydrophobicContact CG-CG 4.17Å; F231-M235 HydrophobicContact CZ-CB 4.47Å; F231-M235 HydrophobicContact CZ-CE 4.34Å; F231-M235 HydrophobicContact CZ-CG 3.53Å; F231-M235 HydrophobicContact CZ-SD 4.31Å; F231-M235 VanDerWaalsContact O-CB 3.32Å; F231-M235 WeakPolarHBondContact O-CB 3.48Å; F231-M235 VanDerWaalsContact O-CG 3.3Å; F231-M235 WeakPolarHBondContact O-CG 3.44Å; F231-M235 PolarHBondContact O-N 3.48Å; M235-I237 HydrophobicContact CB-CD1 4.46Å; M235-I237 HydrophobicContact CB-CG1 4.21Å; M235-I237 PolarHBondContact O-N 2.77Å
236D98Very high98.3Very high107 Ų10741.4 Ų41.457%0.57221%0.212SC*.THydrogen-bonded Turntrans48.354.3-176.2-171.824.7000113.9R164 C232 Q233 V234R164-D236 IonicContact CZ-OD1 2.7Å; R164-D236 PolarHBondContact NH1-O 2.97Å; R164-D236 VanDerWaalsContact NH1-O 3.17Å; R164-D236 IonicContact NH1-OD1 3.45Å; R164-D236 PolarHBondContact NH1-OD1 3.12Å; R164-D236 IonicContact NH1-OD2 3.84Å; R164-D236 IonicContact NH2-OD1 3.07Å; C232-D236 WeakPolarHBondContact O-CA 3.45Å; C232-D236 PolarHBondContact O-N 3.3Å; C232-D236 VanDerWaalsContact O-N 3.14Å; Q233-D236 PolarHBondContact O-N 2.85Å; V234-D236 VanDerWaalsContact C-N 3.33Å
237I98.5Very high98.3Very high5 Ų538.5 Ų38.53%0.02620%0.197CC..  trans-125.5155.1176.558171.2000111.4L160 R164 L166 F179 F231 C232 M235 I240L160-I237 HydrophobicContact CD1-CG2 4.02Å; R164-I237 WeakPolarHBondContact O-CB 3.48Å; L166-I237 HydrophobicContact CB-CD1 3.56Å; L166-I237 HydrophobicContact CD2-CD1 4.3Å; F179-I237 HydrophobicContact CE2-CG2 4.28Å; F179-I237 HydrophobicContact CZ-CG2 3.69Å; F231-I237 HydrophobicContact CD1-CD1 4.21Å; F231-I237 HydrophobicContact CE1-CD1 3.86Å; C232-I237 HydrophobicContact CB-CG1 4.25Å; C232-I237 WeakPolarHBondContact CB-O 3.5Å; C232-I237 PolarHBondContact O-N 2.94Å; M235-I237 HydrophobicContact CB-CD1 4.46Å; M235-I237 HydrophobicContact CB-CG1 4.21Å; M235-I237 PolarHBondContact O-N 2.77Å; I237-I240 HydrophobicContact CD1-CG1 4.05Å
238D98.3Very high98.2Very high77 Ų7743 Ų4341%0.41223%0.226SC..SBendtrans-85.9-37.1-179.7-64.2-44.4000112R164R164-D238 WeakPolarHBondContact CB-OD2 3.08Å; R164-D238 IonicContact CZ-OD1 3.31Å; R164-D238 IonicContact CZ-OD2 3.91Å; R164-D238 IonicContact NE-OD1 3.54Å; R164-D238 IonicContact NE-OD2 3.51Å; R164-D238 PolarHBondContact NE-OD2 3.17Å; R164-D238 VanDerWaalsContact NH2-CG 3.33Å; R164-D238 IonicContact NH2-OD1 3.45Å; R164-D238 PolarHBondContact NH2-OD1 2.88Å; R164-D238 IonicContact NH2-OD2 3.72Å; R164-D238 PolarHBondContact NH2-OD2 3.01Å; R164-D238 PolarHBondContact O-N 3.36Å
239M98.7Very high98.1Very high24 Ų2448.7 Ų48.712%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-149.3148.7-171.4-171.2-176.7-69.400112.8R164 I165 L166 F253 N257 K258 V260 M279R164-M239 PolarHBondContact O-N 3.14Å; I165-M239 VanDerWaalsContact CA-O 3.31Å; I165-M239 WeakPolarHBondContact CA-O 3.43Å; I165-M239 HydrophobicContact CG1-CB 4.35Å; I165-M239 HydrophobicContact CG2-CB 4.33Å; L166-M239 PolarHBondContact N-O 3.2Å; M239-F253 HydrophobicContact CE-CE1 4.15Å; M239-N257 WeakPolarHBondContact CE-O 3.2Å; M239-K258 CarbonylContact C-O 3.51Å; M239-K258 VanDerWaalsContact CA-O 3.27Å; M239-K258 WeakPolarHBondContact CA-O 3.44Å; M239-V260 HydrophobicContact CG-CG1 4.37Å; M239-V260 HydrophobicContact SD-CB 4.18Å; M239-V260 HydrophobicContact SD-CG1 3.59Å; M239-V260 VanDerWaalsContact SD-CG1 3.59Å; M239-M279 HydrophobicContact SD-CE 4.23Å; M239-M279 HydrophobicContact SD-SD 4.24Å
240I98.9Very high98Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-102.1127.7163.3-61.1159.9000108.4L166 M168 I172 V228 F231 I237 K258 L259 V260L166-I240 CarbonylContact O-C 3.28Å; L166-I240 VanDerWaalsContact O-CA 3.28Å; L166-I240 WeakPolarHBondContact O-CA 3.29Å; M168-I240 HydrophobicContact SD-CG2 3.78Å; I172-I240 HydrophobicContact CD1-CD1 4.3Å; I172-I240 HydrophobicContact CG2-CD1 3.61Å; I172-I240 HydrophobicContact CG2-CG1 4.27Å; V228-I240 HydrophobicContact CG1-CD1 4.12Å; F231-I240 HydrophobicContact CD1-CD1 3.86Å; F231-I240 HydrophobicContact CD1-CG1 4.4Å; F231-I240 HydrophobicContact CE1-CD1 4.26Å; F231-I240 HydrophobicContact CE1-CG1 4.45Å; I237-I240 HydrophobicContact CD1-CG1 4.05Å; I240-K258 PolarHBondContact N-O 3.08Å; I240-L259 HydrophobicContact CB-CB 4.24Å; I240-L259 HydrophobicContact CB-CD1 4.1Å; I240-L259 HydrophobicContact CB-CG 4.08Å; I240-L259 HydrophobicContact CD1-CD1 4.33Å; I240-L259 HydrophobicContact CG2-CD1 3.94Å; I240-L259 HydrophobicContact CG2-CG 4.19Å; I240-L259 CarbonylContact O-C 3.57Å; I240-L259 VanDerWaalsContact O-CA 3.25Å; I240-L259 WeakPolarHBondContact O-CA 3.33Å; I240-V260 PolarHBondContact O-N 2.97Å
241A98.9Very high98Very high0 Ų042.8 Ų42.80%022%0.221CC..EExtended strand (participates in β ladder)trans-111.4119.617200000110I56 I165 L166 C167 M168 V260 M279I56-A241 HydrophobicContact CD1-CB 4.48Å; I165-A241 HydrophobicContact CG2-CB 3.94Å; L166-A241 PolarHBondContact O-N 3.21Å; C167-A241 WeakPolarHBondContact CA-O 3.48Å; M168-A241 PolarHBondContact N-O 2.86Å; A241-V260 WeakPolarHBondContact CA-O 3.34Å; A241-V260 HydrophobicContact CB-CG1 3.85Å; A241-M279 HydrophobicContact CB-CE 4Å
242R98.9Very high98Very high0 Ų045.7 Ų45.70%024%0.235CC..EExtended strand (participates in β ladder)trans-135.3171.5-175.270.683.256.1158.512.7112.6M168 H169 G170 A203 D204 H244 L259 V260 T261 L262M168-R242 WeakPolarHBondContact O-CA 3.27Å; M168-R242 HydrophobicContact SD-CB 4.47Å; H169-R242 PolarHBondContact O-NE 2.73Å; G170-R242 VanDerWaalsContact C-NH2 3.34Å; G170-R242 WeakPolarHBondContact O-CB 3.33Å; G170-R242 PolarHBondContact O-NE 3.01Å; G170-R242 PolarHBondContact O-NH2 3.34Å; A203-R242 PolarHBondContact O-NH2 3.07Å; D204-R242 IonicContact OD1-CZ 3.05Å; D204-R242 IonicContact OD1-NH1 3.07Å; D204-R242 IonicContact OD1-NH2 2.72Å; D204-R242 PolarHBondContact OD1-NH2 2.96Å; R242-H244 PolarHBondContact NH2-CD2 3.23Å; R242-L259 HydrophobicContact CG-CD1 4.32Å; R242-L259 HydrophobicContact CG-CD2 4.04Å; R242-L259 HydrophobicContact CG-CG 4.31Å; R242-V260 PolarHBondContact N-O 3.29Å; R242-T261 VanDerWaalsContact CD-OG1 3.31Å; R242-T261 WeakPolarHBondContact CD-OG1 3.19Å; R242-T261 CarbonylContact O-C 3.6Å; R242-T261 WeakPolarHBondContact O-CA 3.5Å; R242-L262 PolarHBondContact O-N 3.44Å
243A98.8Very high98Very high0 Ų048.9 Ų48.90%025%0.248CC..  trans-124.6-131-175.300000112.1D59 L85 H169 Q245 L262D59-A243 WeakPolarHBondContact OD2-CB 3.43Å; L85-A243 HydrophobicContact CB-CB 3.72Å; L85-A243 HydrophobicContact CD1-CB 3.99Å; L85-A243 HydrophobicContact CG-CB 4.5Å; H169-A243 CarbonylContact O-C 3.48Å; H169-A243 PolarHBondContact O-N 3.07Å; A243-Q245 PolarHBondContact O-N 2.76Å; A243-L262 VanDerWaalsContact CA-O 3.27Å; A243-L262 WeakPolarHBondContact CA-O 3.47Å
244H98.2Very high98Very high10 Ų1041.7 Ų41.75%0.04621%0.214CC..SBendtrans67.4-20.9159.7-167.863000118.7D59 N119 H169 W202 D204 R217 R242D59-H244 WeakPolarHBondContact OD1-CA 3.32Å; D59-H244 PolarHBondContact OD1-N 2.89Å; D59-H244 PolarHBondContact OD2-N 3.09Å; N119-H244 PolarHBondContact OD1-CE1 3.39Å; N119-H244 PolarHBondContact OD1-ND1 2.89Å; H169-H244 AromaticContact CD2-CG 3.87Å; H169-H244 AromaticContact CD2-ND1 3.51Å; H169-H244 VanDerWaalsContact NE2-CB 3.34Å; H169-H244 WeakPolarHBondContact NE2-CB 3.29Å; H169-H244 AromaticContact NE2-CG 3.47Å; H169-H244 AromaticContact NE2-ND1 2.95Å; H169-H244 PolarHBondContact NE2-ND1 3.15Å; H169-H244 WeakPolarHBondContact O-CB 3.47Å; W202-H244 AromaticContact CE3-CE1 3.67Å; W202-H244 AromaticContact CE3-NE2 3.72Å; W202-H244 AromaticContact CZ3-CE1 3.98Å; D204-H244 IonicContact OD1-CD2 2.76Å; D204-H244 PolarHBondContact OD1-CD2 3.37Å; R217-H244 VanDerWaalsContact CD-NE2 3.34Å; R217-H244 WeakPolarHBondContact CD-NE2 3.25Å; R217-H244 PolarHBondContact NE-NE2 2.97Å; R217-H244 PolarHBondContact NH1-NE2 3.06Å; R217-H244 PolarHBondContact NH2-CD2 3.47Å; R217-H244 PolarHBondContact NH2-NE2 3.27Å; R217-H244 PolarHBondContact NH2-O 3.43Å; R217-H244 VanDerWaalsContact NH2-O 3.09Å; R242-H244 PolarHBondContact NH2-CD2 3.23Å
245Q97.7Very high98Very high51 Ų5137.4 Ų37.424%0.23819%0.188CC..SBendtrans-113.8121.9174-82.4172-37.400108.9D204 A243 V247 T261D204-Q245 WeakPolarHBondContact OD1-CG 3.3Å; A243-Q245 PolarHBondContact O-N 2.76Å; Q245-V247 PolarHBondContact O-N 3.19Å; Q245-T261 HydrophobicContact CB-CG2 4.03Å; Q245-T261 WeakPolarHBondContact O-CG2 3.36Å
246V96.9Very high98Very high48 Ų4843 Ų4329%0.29122%0.218SC..  trans-64122.8168.9-171.10000107.9F263 Y268 Y272 N274V246-F263 HydrophobicContact CB-CD2 4.43Å; V246-F263 HydrophobicContact CB-CE2 4.27Å; V246-F263 HydrophobicContact CB-CZ 4.43Å; V246-F263 HydrophobicContact CG1-CD1 4.4Å; V246-F263 HydrophobicContact CG1-CE1 4.36Å; V246-F263 HydrophobicContact CG2-CD2 4.22Å; V246-F263 HydrophobicContact CG2-CE1 4.19Å; V246-F263 HydrophobicContact CG2-CE2 3.58Å; V246-F263 HydrophobicContact CG2-CZ 3.6Å; V246-Y268 HydrophobicContact CG2-CD1 3.46Å; V246-Y268 VanDerWaalsContact CG2-CD1 3.46Å; V246-Y268 HydrophobicContact CG2-CE1 3.71Å; V246-Y268 HydrophobicContact CG2-CG 4.25Å; V246-Y272 HydrophobicContact CB-CD1 4.22Å; V246-Y272 HydrophobicContact CB-CE1 4.48Å; V246-Y272 HydrophobicContact CG1-CD1 3.86Å; V246-Y272 HydrophobicContact CG1-CG 4.35Å; V246-Y272 HydrophobicContact CG2-CD1 4.23Å; V246-Y272 HydrophobicContact CG2-CE1 4.19Å; V246-N274 HydrophobicContact CG1-CB 4Å
247V96.9Very high98Very high5 Ų542.6 Ų42.63%0.0322%0.216CC..  trans-121.8140.5178.5-72.80000109.6Q245 K249 G250 E252 T261 F263Q245-V247 PolarHBondContact O-N 3.19Å; V247-K249 VanDerWaalsContact C-N 3.27Å; V247-K249 PolarHBondContact O-N 2.98Å; V247-K249 VanDerWaalsContact O-N 3.08Å; V247-G250 PolarHBondContact O-N 3Å; V247-E252 HydrophobicContact CB-CB 4.08Å; V247-E252 HydrophobicContact CG1-CB 3.77Å; V247-E252 HydrophobicContact CG2-CB 4.46Å; V247-T261 HydrophobicContact CG1-CG2 3.85Å; V247-T261 HydrophobicContact CG2-CG2 4.24Å; V247-F263 HydrophobicContact CG2-CB 4.25Å
248P96Very high98Very high103 Ų10345.5 Ų45.567%0.66923%0.229SC*.THydrogen-bonded Turntrans-55.9-36.3-166.7-29.435.2000115N274 D275P248-N274 CarbonylContact O-C 3.52Å; P248-N274 WeakPolarHBondContact O-CA 3.47Å; P248-D275 PolarHBondContact O-N 3.43Å
249K96.8Very high98Very high121 Ų12141.8 Ų41.853%0.52621%0.209SC..THydrogen-bonded Turntrans-92.22.5-178.9-68.7-174.8178.7179.10113.8V247 Y251 Q291V247-K249 VanDerWaalsContact C-N 3.27Å; V247-K249 PolarHBondContact O-N 2.98Å; V247-K249 VanDerWaalsContact O-N 3.08Å; K249-Y251 HydrophobicContact CB-CD1 3.96Å; K249-Y251 HydrophobicContact CB-CE1 3.85Å; K249-Y251 HydrophobicContact CD-CE1 4.4Å; K249-Y251 PolarHBondContact O-N 3.4Å; K249-Q291 WeakPolarHBondContact O-CG 3.21Å; K249-Q291 PolarHBondContact O-NE2 3.16Å
250G97.6Very high98Very high0 Ų040.7 Ų40.70%020%0.204CC..SBendtrans75.2-5.7-16800000113.7V247 L262 F263 D275 A277V247-G250 PolarHBondContact O-N 3Å; G250-L262 CarbonylContact O-C 3.58Å; G250-F263 PolarHBondContact O-N 3.24Å; G250-D275 WeakPolarHBondContact CA-O 3.33Å; G250-D275 PolarHBondContact N-O 3.11Å; G250-A277 WeakPolarHBondContact O-CB 3.24Å
251Y98.4Very high98Very high64 Ų6440.8 Ų40.825%0.25120%0.204SC..EExtended strand (participates in β ladder)trans-145.9153.616973.5-74.9000111.4K249 F253 T261 A277 I289K249-Y251 HydrophobicContact CB-CD1 3.96Å; K249-Y251 HydrophobicContact CB-CE1 3.85Å; K249-Y251 HydrophobicContact CD-CE1 4.4Å; K249-Y251 PolarHBondContact O-N 3.4Å; Y251-F253 HydrophobicContact CD2-CD2 4.22Å; Y251-F253 AromaticContact CD2-CE2 3.97Å; Y251-F253 HydrophobicContact CD2-CE2 3.97Å; Y251-F253 HydrophobicContact CE2-CD2 4.17Å; Y251-F253 AromaticContact CE2-CE2 3.87Å; Y251-F253 HydrophobicContact CE2-CE2 3.87Å; Y251-T261 CarbonylContact C-O 3.11Å; Y251-T261 WeakPolarHBondContact CA-O 3.26Å; Y251-A277 HydrophobicContact CD1-CB 4.1Å; Y251-A277 HydrophobicContact CG-CB 4.49Å; Y251-I289 HydrophobicContact CD1-CG2 3.59Å; Y251-I289 HydrophobicContact CD2-CG1 4.09Å; Y251-I289 HydrophobicContact CD2-CG2 4.24Å; Y251-I289 HydrophobicContact CE1-CG2 3.9Å; Y251-I289 HydrophobicContact CE2-CG1 4.34Å; Y251-I289 HydrophobicContact CG-CG1 4.37Å; Y251-I289 HydrophobicContact CG-CG2 3.77Å
252E98.3Very high98Very high76 Ų7640.8 Ų40.836%0.35520%0.204SC..EExtended strand (participates in β ladder)trans-148.7131.7171-172.7175-150.300110.6K207 V247 V260 T261K207-E252 IonicContact NZ-OE1 2.71Å; K207-E252 PolarHBondContact NZ-OE1 3.21Å; V247-E252 HydrophobicContact CB-CB 4.08Å; V247-E252 HydrophobicContact CG1-CB 3.77Å; V247-E252 HydrophobicContact CG2-CB 4.46Å; E252-V260 WeakPolarHBondContact O-CA 3.33Å; E252-T261 PolarHBondContact N-O 2.67Å; E252-T261 PolarHBondContact O-N 3.42Å
253F98.3Very high98Very high70 Ų7040.8 Ų40.831%0.30720%0.204SC..EExtended strand (participates in β ladder)trans-88.9148171.8-69.9-74.5000111.5M239 Y251 N257 L259 V260 I289M239-F253 HydrophobicContact CE-CE1 4.15Å; Y251-F253 HydrophobicContact CD2-CD2 4.22Å; Y251-F253 AromaticContact CD2-CE2 3.97Å; Y251-F253 HydrophobicContact CD2-CE2 3.97Å; Y251-F253 HydrophobicContact CE2-CD2 4.17Å; Y251-F253 AromaticContact CE2-CE2 3.87Å; Y251-F253 HydrophobicContact CE2-CE2 3.87Å; F253-N257 VanDerWaalsContact CB-OD1 3.29Å; F253-N257 WeakPolarHBondContact CB-OD1 3.47Å; F253-N257 HydrophobicContact CD1-CB 3.99Å; F253-N257 HydrophobicContact CG-CB 4.44Å; F253-N257 WeakPolarHBondContact CG-OD1 3.05Å; F253-L259 CarbonylContact C-O 3.58Å; F253-L259 WeakPolarHBondContact CA-O 3.18Å; F253-V260 HydrophobicContact CD1-CB 3.9Å; F253-V260 HydrophobicContact CD1-CG2 4.05Å; F253-V260 HydrophobicContact CE1-CB 3.86Å; F253-V260 HydrophobicContact CE1-CG2 3.87Å; F253-V260 HydrophobicContact CZ-CG2 4.33Å; F253-I289 HydrophobicContact CZ-CG1 4.35Å
254F98.4Very high97.9Very high11 Ų1141 Ų415%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-141.5154.5-177.4-179.9-97.8000110.4P205 K207 E225 V228 N256 N257 K258 L259P205-F254 HydrophobicContact CB-CD1 3.99Å; P205-F254 HydrophobicContact CB-CD2 4.35Å; P205-F254 HydrophobicContact CB-CE1 3.91Å; P205-F254 HydrophobicContact CB-CE2 4.28Å; P205-F254 HydrophobicContact CB-CG 4.2Å; P205-F254 HydrophobicContact CB-CZ 4.05Å; K207-F254 HydrophobicContact CB-CE2 4.25Å; K207-F254 HydrophobicContact CG-CD2 3.69Å; K207-F254 HydrophobicContact CG-CE2 3.49Å; K207-F254 VanDerWaalsContact CG-CE2 3.49Å; E225-F254 HydrophobicContact CB-CE1 4.2Å; E225-F254 HydrophobicContact CB-CZ 4.13Å; E225-F254 HydrophobicContact CG-CD1 4.18Å; E225-F254 HydrophobicContact CG-CD2 4.1Å; E225-F254 HydrophobicContact CG-CE1 3.62Å; E225-F254 HydrophobicContact CG-CE2 3.52Å; E225-F254 HydrophobicContact CG-CG 4.41Å; E225-F254 HydrophobicContact CG-CZ 3.27Å; V228-F254 HydrophobicContact CB-CE1 4.45Å; V228-F254 HydrophobicContact CG2-CD1 3.98Å; V228-F254 HydrophobicContact CG2-CE1 3.7Å; F254-N256 PolarHBondContact O-N 2.83Å; F254-N257 PolarHBondContact O-N 2.81Å; F254-K258 PolarHBondContact O-N 2.99Å; F254-L259 HydrophobicContact CB-CB 4.2Å; F254-L259 HydrophobicContact CB-CD2 3.92Å; F254-L259 HydrophobicContact CD1-CB 4.21Å; F254-L259 PolarHBondContact N-O 3.37Å; F254-L259 PolarHBondContact O-N 3.19Å; F254-L259 VanDerWaalsContact O-N 3.12Å
255A98.1Very high97.9Very high0 Ų040.5 Ų40.50%020%0.203CC..THydrogen-bonded Turntrans50.655.4177.400000112.9E225 V228 H229 N257 K258E225-A255 HydrophobicContact CB-CB 3.87Å; E225-A255 HydrophobicContact CG-CB 3.98Å; E225-A255 PolarHBondContact OE1-N 3.37Å; V228-A255 HydrophobicContact CB-CB 3.74Å; V228-A255 HydrophobicContact CG1-CB 3.65Å; V228-A255 HydrophobicContact CG2-CB 4.42Å; H229-A255 PolarHBondContact CE1-O 3.01Å; A255-N257 PolarHBondContact O-N 3.35Å; A255-K258 HydrophobicContact CB-CB 4.45Å; A255-K258 VanDerWaalsContact O-CB 3.28Å; A255-K258 WeakPolarHBondContact O-CB 3.48Å; A255-K258 WeakPolarHBondContact O-CG 3.32Å; A255-K258 PolarHBondContact O-N 3.46Å; A255-K258 VanDerWaalsContact O-N 3.09Å
256N97.1Very high97.8Very high130 Ų13038.3 Ų38.370%0.69519%0.194SC*.THydrogen-bonded Turntrans5349.8-178.6-59.225.8000113F254 K258F254-N256 PolarHBondContact O-N 2.83Å; N256-K258 PolarHBondContact O-N 3.37Å
257N97.5Very high97.6Very high99 Ų9938 Ų3853%0.52919%0.19SC..THydrogen-bonded Turntrans65.412.5-179.1-50.4-26.6000115.2M239 F253 F254 A255 L259M239-N257 WeakPolarHBondContact CE-O 3.2Å; F253-N257 VanDerWaalsContact CB-OD1 3.29Å; F253-N257 WeakPolarHBondContact CB-OD1 3.47Å; F253-N257 HydrophobicContact CD1-CB 3.99Å; F253-N257 HydrophobicContact CG-CB 4.44Å; F253-N257 WeakPolarHBondContact CG-OD1 3.05Å; F254-N257 PolarHBondContact O-N 2.81Å; A255-N257 PolarHBondContact O-N 3.35Å; N257-L259 VanDerWaalsContact C-N 3.28Å
258K98.5Very high97.4Very high66 Ų6638.1 Ų38.129%0.28719%0.19SC..THydrogen-bonded Turntrans-78-12172.8-69.5-167.2172.8-66.40113.8V228 H229 C232 M239 I240 F254 A255 N256V228-K258 HydrophobicContact CG1-CB 3.72Å; H229-K258 WeakPolarHBondContact ND1-CD 3.3Å; C232-K258 HydrophobicContact CB-CD 4.08Å; M239-K258 CarbonylContact C-O 3.51Å; M239-K258 VanDerWaalsContact CA-O 3.27Å; M239-K258 WeakPolarHBondContact CA-O 3.44Å; I240-K258 PolarHBondContact N-O 3.08Å; F254-K258 PolarHBondContact O-N 2.99Å; A255-K258 HydrophobicContact CB-CB 4.45Å; A255-K258 VanDerWaalsContact O-CB 3.28Å; A255-K258 WeakPolarHBondContact O-CB 3.48Å; A255-K258 WeakPolarHBondContact O-CG 3.32Å; A255-K258 PolarHBondContact O-N 3.46Å; A255-K258 VanDerWaalsContact O-N 3.09Å; N256-K258 PolarHBondContact O-N 3.37Å
259L98.8Very high97Very high0 Ų035.8 Ų35.80%018%0.176CC..EExtended strand (participates in β ladder)trans-133.6139.7168.9-178.5153.7000109.9P205 F223 V228 I240 R242 F253 F254 N257P205-L259 HydrophobicContact CB-CD1 4.26Å; P205-L259 HydrophobicContact CB-CD2 4.33Å; P205-L259 HydrophobicContact CG-CD1 4.42Å; P205-L259 HydrophobicContact CG-CD2 4.01Å; F223-L259 HydrophobicContact CE2-CD1 3.75Å; F223-L259 HydrophobicContact CZ-CD1 3.99Å; V228-L259 HydrophobicContact CG1-CB 4.15Å; V228-L259 HydrophobicContact CG2-CD1 4.18Å; I240-L259 HydrophobicContact CB-CB 4.24Å; I240-L259 HydrophobicContact CB-CD1 4.1Å; I240-L259 HydrophobicContact CB-CG 4.08Å; I240-L259 HydrophobicContact CD1-CD1 4.33Å; I240-L259 HydrophobicContact CG2-CD1 3.94Å; I240-L259 HydrophobicContact CG2-CG 4.19Å; I240-L259 CarbonylContact O-C 3.57Å; I240-L259 VanDerWaalsContact O-CA 3.25Å; I240-L259 WeakPolarHBondContact O-CA 3.33Å; R242-L259 HydrophobicContact CG-CD1 4.32Å; R242-L259 HydrophobicContact CG-CD2 4.04Å; R242-L259 HydrophobicContact CG-CG 4.31Å; F253-L259 CarbonylContact C-O 3.58Å; F253-L259 WeakPolarHBondContact CA-O 3.18Å; F254-L259 HydrophobicContact CB-CB 4.2Å; F254-L259 HydrophobicContact CB-CD2 3.92Å; F254-L259 HydrophobicContact CD1-CB 4.21Å; F254-L259 PolarHBondContact N-O 3.37Å; F254-L259 PolarHBondContact O-N 3.19Å; F254-L259 VanDerWaalsContact O-N 3.12Å; N257-L259 VanDerWaalsContact C-N 3.28Å
260V98.8Very high96.4Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-122.8127.5169.265.60000109.8M239 I240 A241 R242 E252 F253 L262 M279M239-V260 HydrophobicContact CG-CG1 4.37Å; M239-V260 HydrophobicContact SD-CB 4.18Å; M239-V260 HydrophobicContact SD-CG1 3.59Å; M239-V260 VanDerWaalsContact SD-CG1 3.59Å; I240-V260 PolarHBondContact O-N 2.97Å; A241-V260 WeakPolarHBondContact CA-O 3.34Å; A241-V260 HydrophobicContact CB-CG1 3.85Å; R242-V260 PolarHBondContact N-O 3.29Å; E252-V260 WeakPolarHBondContact O-CA 3.33Å; F253-V260 HydrophobicContact CD1-CB 3.9Å; F253-V260 HydrophobicContact CD1-CG2 4.05Å; F253-V260 HydrophobicContact CE1-CB 3.86Å; F253-V260 HydrophobicContact CE1-CG2 3.87Å; F253-V260 HydrophobicContact CZ-CG2 4.33Å; V260-L262 HydrophobicContact CG2-CD2 4.12Å; V260-L262 HydrophobicContact CG2-CG 4.33Å; V260-M279 HydrophobicContact CG1-CE 3.98Å; V260-M279 HydrophobicContact CG1-SD 3.96Å
261T98.8Very high95.8Very high2 Ų239.6 Ų39.61%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-90.7132.8166-62.50000108.3R242 Q245 V247 Y251 E252R242-T261 VanDerWaalsContact CD-OG1 3.31Å; R242-T261 WeakPolarHBondContact CD-OG1 3.19Å; R242-T261 CarbonylContact O-C 3.6Å; R242-T261 WeakPolarHBondContact O-CA 3.5Å; Q245-T261 HydrophobicContact CB-CG2 4.03Å; Q245-T261 WeakPolarHBondContact O-CG2 3.36Å; V247-T261 HydrophobicContact CG1-CG2 3.85Å; V247-T261 HydrophobicContact CG2-CG2 4.24Å; Y251-T261 CarbonylContact C-O 3.11Å; Y251-T261 WeakPolarHBondContact CA-O 3.26Å; E252-T261 PolarHBondContact N-O 2.67Å; E252-T261 PolarHBondContact O-N 3.42Å
262L98.8Very high95.3Very high0 Ų042.4 Ų42.40%022%0.217CC..EExtended strand (participates in β ladder)trans-122.1136.7177.8-65.6170.6000110.3I56 L85 R242 A243 G250 V260 M279 I289I56-L262 HydrophobicContact CB-CD1 4.09Å; I56-L262 HydrophobicContact CG2-CD1 3.78Å; L85-L262 HydrophobicContact CD1-CD1 4.48Å; R242-L262 PolarHBondContact O-N 3.44Å; A243-L262 VanDerWaalsContact CA-O 3.27Å; A243-L262 WeakPolarHBondContact CA-O 3.47Å; G250-L262 CarbonylContact O-C 3.58Å; V260-L262 HydrophobicContact CG2-CD2 4.12Å; V260-L262 HydrophobicContact CG2-CG 4.33Å; L262-M279 HydrophobicContact CD1-CB 3.83Å; L262-M279 HydrophobicContact CD2-CB 4.1Å; L262-I289 HydrophobicContact CD2-CD1 4.07Å
263F98.4Very high95Very high1 Ų144.4 Ų44.40%0.00423%0.231CC..BIsolated β-bridgetrans-135.9121.2175.3-158.4-90000108.5D59 V246 V247 G250 A265 Y268 A276 A277D59-F263 HydrophobicContact CB-CD2 3.85Å; D59-F263 HydrophobicContact CB-CE2 3.49Å; D59-F263 VanDerWaalsContact CB-CE2 3.49Å; D59-F263 HydrophobicContact CB-CZ 3.84Å; D59-F263 VanDerWaalsContact CG-CE2 3.45Å; D59-F263 WeakPolarHBondContact OD1-CE2 3.46Å; V246-F263 HydrophobicContact CB-CD2 4.43Å; V246-F263 HydrophobicContact CB-CE2 4.27Å; V246-F263 HydrophobicContact CB-CZ 4.43Å; V246-F263 HydrophobicContact CG1-CD1 4.4Å; V246-F263 HydrophobicContact CG1-CE1 4.36Å; V246-F263 HydrophobicContact CG2-CD2 4.22Å; V246-F263 HydrophobicContact CG2-CE1 4.19Å; V246-F263 HydrophobicContact CG2-CE2 3.58Å; V246-F263 HydrophobicContact CG2-CZ 3.6Å; V247-F263 HydrophobicContact CG2-CB 4.25Å; G250-F263 PolarHBondContact O-N 3.24Å; F263-A265 HydrophobicContact CD1-CB 4.18Å; F263-A265 VanDerWaalsContact CD1-O 3.32Å; F263-A265 WeakPolarHBondContact CD1-O 3.25Å; F263-A265 HydrophobicContact CE1-CB 3.59Å; F263-A265 VanDerWaalsContact CE1-O 3.24Å; F263-A265 WeakPolarHBondContact CE1-O 3.43Å; F263-A265 HydrophobicContact CZ-CB 4.35Å; F263-Y268 HydrophobicContact CE1-CD1 4.48Å; F263-Y268 AromaticContact CE1-CD2 3.94Å; F263-Y268 HydrophobicContact CE1-CD2 3.94Å; F263-Y268 AromaticContact CE1-CG 3.84Å; F263-Y268 HydrophobicContact CE1-CG 3.84Å; F263-Y268 HydrophobicContact CZ-CD1 4.09Å; F263-Y268 AromaticContact CZ-CD2 3.74Å; F263-Y268 HydrophobicContact CZ-CD2 3.74Å; F263-Y268 HydrophobicContact CZ-CE1 4.31Å; F263-Y268 AromaticContact CZ-CE2 3.99Å; F263-Y268 HydrophobicContact CZ-CE2 3.99Å; F263-Y268 AromaticContact CZ-CG 3.77Å; F263-Y268 HydrophobicContact CZ-CG 3.77Å; F263-A276 CarbonylContact O-C 3.48Å; F263-A276 VanDerWaalsContact O-CA 3.29Å; F263-A276 WeakPolarHBondContact O-CA 3.18Å; F263-A277 PolarHBondContact O-N 2.78Å
264S98.3Very high94.9Very high4 Ų441.2 Ų41.23%0.02822%0.217CC..  trans-1066.1-168.7-63.90000114.1G58 D59 A276 A277G58-S264 PolarHBondContact N-OG 2.65Å; D59-S264 CarbonylContact O-C 3.47Å; D59-S264 VanDerWaalsContact O-C 3.28Å; D59-S264 WeakPolarHBondContact O-CA 3.43Å; D59-S264 WeakPolarHBondContact O-CB 3.42Å; D59-S264 PolarHBondContact O-N 3.33Å; S264-A276 VanDerWaalsContact C-CB 3.44Å; S264-A276 WeakPolarHBondContact O-CB 3.23Å; S264-A277 PolarHBondContact OG-O 3.05Å
265A96.7Very high94.8Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-107.9105.4176.900000111D59 F263 Y268 N274D59-A265 PolarHBondContact O-N 2.82Å; D59-A265 VanDerWaalsContact O-N 3.11Å; F263-A265 HydrophobicContact CD1-CB 4.18Å; F263-A265 VanDerWaalsContact CD1-O 3.32Å; F263-A265 WeakPolarHBondContact CD1-O 3.25Å; F263-A265 HydrophobicContact CE1-CB 3.59Å; F263-A265 VanDerWaalsContact CE1-O 3.24Å; F263-A265 WeakPolarHBondContact CE1-O 3.43Å; F263-A265 HydrophobicContact CZ-CB 4.35Å; A265-Y268 HydrophobicContact CB-CD2 4.43Å; A265-N274 PolarHBondContact O-ND2 3.09Å
266P95.9Very high94.8Very high5 Ų542.3 Ų42.33%0.03222%0.223CC..THydrogen-bonded Turntrans-81153.8-178.734-33.2000111Q63 D66 Y268 N274 A276Q63-P266 PolarHBondContact NE2-O 3.37Å; D66-P266 HydrophobicContact CB-CG 4.23Å; D66-P266 WeakPolarHBondContact OD1-CG 3.39Å; P266-Y268 PolarHBondContact O-N 3.33Å; P266-N274 CarbonylContact C-O 3.47Å; P266-N274 WeakPolarHBondContact CA-O 3.42Å; P266-A276 HydrophobicContact CB-CB 3.77Å; P266-A276 HydrophobicContact CG-CB 3.99Å
267N94.1Very high94.8Very high41 Ų4136.1 Ų36.122%0.21919%0.19CC..THydrogen-bonded Turntrans42.353.2-172.5-171.336.8000110.9C269 G270 E271 D273 N274N267-C269 PolarHBondContact O-N 3.34Å; N267-G270 WeakPolarHBondContact ND2-CA 3.15Å; N267-G270 PolarHBondContact ND2-O 2.91Å; N267-G270 VanDerWaalsContact O-CA 3.29Å; N267-G270 WeakPolarHBondContact O-CA 3.41Å; N267-G270 PolarHBondContact O-N 3.13Å; N267-E271 PolarHBondContact OD1-N 2.9Å; N267-D273 PolarHBondContact OD1-N 3.12Å; N267-N274 PolarHBondContact N-O 3.43Å; N267-N274 PolarHBondContact N-OD1 2.73Å
268Y92.4Very high94.8Very high7 Ų731.4 Ų31.43%0.02717%0.165CC..G310 helixtrans-51.3138.9-173176.2-123.5000111.1H61 R91 V246 F263 A265 P266 G270 E271 Y272 N274H61-Y268 HydrophobicContact CB-CE2 3.8Å; H61-Y268 AromaticContact CD2-CE2 3.23Å; H61-Y268 WeakPolarHBondContact CD2-CE2 3.31Å; H61-Y268 AromaticContact CD2-CZ 3.6Å; H61-Y268 PolarHBondContact CD2-OH 3.01Å; H61-Y268 VanDerWaalsContact CD2-OH 3.31Å; H61-Y268 AromaticContact CG-CE2 3.72Å; H61-Y268 AromaticContact NE2-CE2 3.98Å; H61-Y268 AromaticContact NE2-CZ 3.86Å; H61-Y268 PolarHBondContact NE2-OH 2.81Å; H61-Y268 VanDerWaalsContact NE2-OH 3.12Å; R91-Y268 HydrophobicContact CB-CE2 4.24Å; R91-Y268 HydrophobicContact CG-CE2 4.32Å; R91-Y268 WeakPolarHBondContact CG-OH 3.45Å; R91-Y268 PolarHBondContact NH1-OH 3.43Å; V246-Y268 HydrophobicContact CG2-CD1 3.46Å; V246-Y268 VanDerWaalsContact CG2-CD1 3.46Å; V246-Y268 HydrophobicContact CG2-CE1 3.71Å; V246-Y268 HydrophobicContact CG2-CG 4.25Å; F263-Y268 HydrophobicContact CE1-CD1 4.48Å; F263-Y268 AromaticContact CE1-CD2 3.94Å; F263-Y268 HydrophobicContact CE1-CD2 3.94Å; F263-Y268 AromaticContact CE1-CG 3.84Å; F263-Y268 HydrophobicContact CE1-CG 3.84Å; F263-Y268 HydrophobicContact CZ-CD1 4.09Å; F263-Y268 AromaticContact CZ-CD2 3.74Å; F263-Y268 HydrophobicContact CZ-CD2 3.74Å; F263-Y268 HydrophobicContact CZ-CE1 4.31Å; F263-Y268 AromaticContact CZ-CE2 3.99Å; F263-Y268 HydrophobicContact CZ-CE2 3.99Å; F263-Y268 AromaticContact CZ-CG 3.77Å; F263-Y268 HydrophobicContact CZ-CG 3.77Å; A265-Y268 HydrophobicContact CB-CD2 4.43Å; P266-Y268 PolarHBondContact O-N 3.33Å; Y268-G270 PolarHBondContact O-N 2.96Å; Y268-E271 PolarHBondContact O-N 3.44Å; Y268-Y272 HydrophobicContact CD1-CD1 4.23Å; Y268-Y272 AromaticContact CD1-CD2 3.6Å; Y268-Y272 HydrophobicContact CD1-CD2 3.6Å; Y268-Y272 HydrophobicContact CD1-CE1 4.23Å; Y268-Y272 AromaticContact CD1-CE2 3.58Å; Y268-Y272 HydrophobicContact CD1-CE2 3.58Å; Y268-Y272 AromaticContact CD1-CG 3.91Å; Y268-Y272 HydrophobicContact CD1-CG 3.91Å; Y268-Y272 AromaticContact CD1-CZ 3.91Å; Y268-Y272 HydrophobicContact CE1-CD2 4.45Å; Y268-Y272 AromaticContact CE1-CE2 3.99Å; Y268-Y272 HydrophobicContact CE1-CE2 3.99Å; Y268-Y272 HydrophobicContact CG-CD2 4.28Å; Y268-Y272 WeakPolarHBondContact O-CD2 3.41Å; Y268-Y272 PolarHBondContact O-N 3.39Å; Y268-N274 VanDerWaalsContact CB-OD1 3.31Å; Y268-N274 WeakPolarHBondContact CB-OD1 3.4Å; Y268-N274 PolarHBondContact N-OD1 2.86Å
269C87.8Confident94.8Very high55 Ų5528.3 Ų28.337%0.37215%0.151SC..G310 helixtrans53.76-171.6-65.70000115.7N267 E271 Y272N267-C269 PolarHBondContact O-N 3.34Å; C269-E271 VanDerWaalsContact C-N 3.34Å; C269-Y272 HydrophobicContact CB-CD2 4.28Å; C269-Y272 HydrophobicContact CB-CE2 4.19Å
270G83.8Confident94.8Very high40 Ų4030.5 Ų30.541%0.41216%0.161SC..G310 helixtrans81.36.3-17100000115.2N267 Y268N267-G270 WeakPolarHBondContact ND2-CA 3.15Å; N267-G270 PolarHBondContact ND2-O 2.91Å; N267-G270 VanDerWaalsContact O-CA 3.29Å; N267-G270 WeakPolarHBondContact O-CA 3.41Å; N267-G270 PolarHBondContact O-N 3.13Å; Y268-G270 PolarHBondContact O-N 2.96Å
271E85.7Confident94.8Very high161 Ų16130.5 Ų30.575%0.75216%0.161SC*.THydrogen-bonded Turntrans-130.3-28.6-166.3-64-177.2167.900114.8N267 Y268 C269 D273N267-E271 PolarHBondContact OD1-N 2.9Å; Y268-E271 PolarHBondContact O-N 3.44Å; C269-E271 VanDerWaalsContact C-N 3.34Å; E271-D273 VanDerWaalsContact C-N 3.32Å; E271-D273 PolarHBondContact O-N 3.36Å
272Y87.4Confident94.7Very high122 Ų12232 Ų3248%0.47817%0.169SC..SBendtrans-79.6-10.1-167.4-77.2-110.2000114.3V246 Y268 C269 N274V246-Y272 HydrophobicContact CB-CD1 4.22Å; V246-Y272 HydrophobicContact CB-CE1 4.48Å; V246-Y272 HydrophobicContact CG1-CD1 3.86Å; V246-Y272 HydrophobicContact CG1-CG 4.35Å; V246-Y272 HydrophobicContact CG2-CD1 4.23Å; V246-Y272 HydrophobicContact CG2-CE1 4.19Å; Y268-Y272 HydrophobicContact CD1-CD1 4.23Å; Y268-Y272 AromaticContact CD1-CD2 3.6Å; Y268-Y272 HydrophobicContact CD1-CD2 3.6Å; Y268-Y272 HydrophobicContact CD1-CE1 4.23Å; Y268-Y272 AromaticContact CD1-CE2 3.58Å; Y268-Y272 HydrophobicContact CD1-CE2 3.58Å; Y268-Y272 AromaticContact CD1-CG 3.91Å; Y268-Y272 HydrophobicContact CD1-CG 3.91Å; Y268-Y272 AromaticContact CD1-CZ 3.91Å; Y268-Y272 HydrophobicContact CE1-CD2 4.45Å; Y268-Y272 AromaticContact CE1-CE2 3.99Å; Y268-Y272 HydrophobicContact CE1-CE2 3.99Å; Y268-Y272 HydrophobicContact CG-CD2 4.28Å; Y268-Y272 WeakPolarHBondContact O-CD2 3.41Å; Y268-Y272 PolarHBondContact O-N 3.39Å; C269-Y272 HydrophobicContact CB-CD2 4.28Å; C269-Y272 HydrophobicContact CB-CE2 4.19Å; Y272-N274 WeakPolarHBondContact CB-OD1 3.29Å; Y272-N274 PolarHBondContact O-N 3.49Å
273D92.1Very high94.7Very high119 Ų11939.9 Ų39.964%0.63620%0.204SC*.  trans47.924.8-176.9-162.437.5000114.3N267 E271N267-D273 PolarHBondContact OD1-N 3.12Å; E271-D273 VanDerWaalsContact C-N 3.32Å; E271-D273 PolarHBondContact O-N 3.36Å
274N95.4Very high94.7Very high3 Ų345.5 Ų45.52%0.01623%0.234CC..  trans-81.7151177.568.8-70.5000111V246 P248 A265 P266 N267 Y268 Y272V246-N274 HydrophobicContact CG1-CB 4Å; P248-N274 CarbonylContact O-C 3.52Å; P248-N274 WeakPolarHBondContact O-CA 3.47Å; A265-N274 PolarHBondContact O-ND2 3.09Å; P266-N274 CarbonylContact C-O 3.47Å; P266-N274 WeakPolarHBondContact CA-O 3.42Å; N267-N274 PolarHBondContact N-O 3.43Å; N267-N274 PolarHBondContact N-OD1 2.73Å; Y268-N274 VanDerWaalsContact CB-OD1 3.31Å; Y268-N274 WeakPolarHBondContact CB-OD1 3.4Å; Y268-N274 PolarHBondContact N-OD1 2.86Å; Y272-N274 WeakPolarHBondContact CB-OD1 3.29Å; Y272-N274 PolarHBondContact O-N 3.49Å
275D96.4Very high94.6Very high33 Ų3347.6 Ų47.618%0.17624%0.244CC..  trans-78.2169.3163-68.1-28.8000110.3P248 G250 Q291 R293P248-D275 PolarHBondContact O-N 3.43Å; G250-D275 WeakPolarHBondContact CA-O 3.33Å; G250-D275 PolarHBondContact N-O 3.11Å; D275-Q291 HydrophobicContact CB-CG 4.07Å; D275-Q291 PolarHBondContact OD2-NE2 2.91Å; D275-R293 WeakPolarHBondContact OD1-CA 3.25Å; D275-R293 WeakPolarHBondContact OD1-CG 3.42Å
276A97.3Very high94.7Very high1 Ų153.3 Ų53.31%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-108.7157168.400000110.6F263 S264 P266 Q291 F292F263-A276 CarbonylContact O-C 3.48Å; F263-A276 VanDerWaalsContact O-CA 3.29Å; F263-A276 WeakPolarHBondContact O-CA 3.18Å; S264-A276 VanDerWaalsContact C-CB 3.44Å; S264-A276 WeakPolarHBondContact O-CB 3.23Å; P266-A276 HydrophobicContact CB-CB 3.77Å; P266-A276 HydrophobicContact CG-CB 3.99Å; A276-Q291 CarbonylContact O-C 3.57Å; A276-Q291 WeakPolarHBondContact O-CA 3.19Å; A276-Q291 WeakPolarHBondContact O-CG 3.5Å; A276-F292 HydrophobicContact CB-CB 4.25Å; A276-F292 HydrophobicContact CB-CD2 4.38Å; A276-F292 PolarHBondContact N-O 3.39Å; A276-F292 PolarHBondContact O-N 2.92Å
277A98Very high94.8Very high0 Ų055.2 Ų55.20%028%0.283CS..EExtended strand (participates in β ladder)trans-141.6160.6170.700000112.5G250 Y251 F263 S264 I289 K290G250-A277 WeakPolarHBondContact O-CB 3.24Å; Y251-A277 HydrophobicContact CD1-CB 4.1Å; Y251-A277 HydrophobicContact CG-CB 4.49Å; F263-A277 PolarHBondContact O-N 2.78Å; S264-A277 PolarHBondContact OG-O 3.05Å; A277-I289 HydrophobicContact CB-CG2 3.87Å; A277-K290 CarbonylContact C-O 3.59Å; A277-K290 VanDerWaalsContact CA-O 3.26Å; A277-K290 WeakPolarHBondContact CA-O 3.3Å
278M97.9Very high94.9Very high0 Ų057.7 Ų57.70%030%0.296CS..EExtended strand (participates in β ladder)trans-134.1147.6160.971.4-174-175.700109N55 I56 L70 K290 F292N55-M278 HydrophobicContact CB-SD 4.44Å; I56-M278 CarbonylContact O-C 3.49Å; I56-M278 WeakPolarHBondContact O-CA 3.4Å; I56-M278 WeakPolarHBondContact O-CB 3.35Å; L70-M278 HydrophobicContact CD2-SD 3.8Å; L70-M278 HydrophobicContact CG-SD 3.9Å; M278-K290 HydrophobicContact CE-CB 4.05Å; M278-K290 HydrophobicContact CE-CD 3.3Å; M278-K290 HydrophobicContact CE-CG 4.31Å; M278-K290 HydrophobicContact CG-CB 3.95Å; M278-K290 PolarHBondContact N-O 3.21Å; M278-K290 PolarHBondContact O-N 3.39Å; M278-F292 HydrophobicContact CB-CE2 4.29Å; M278-F292 HydrophobicContact CE-CE2 4.43Å; M278-F292 HydrophobicContact CE-CZ 3.73Å; M278-F292 HydrophobicContact CG-CE2 3.78Å; M278-F292 HydrophobicContact CG-CZ 4.01Å; M278-F292 HydrophobicContact SD-CE2 4.01Å; M278-F292 HydrophobicContact SD-CZ 3.86Å
279M98.5Very high95.2Very high0 Ų059.6 Ų59.60%031%0.306CS..EExtended strand (participates in β ladder)trans-102.7123.1177.4-175.9168.772.800110.2N55 I56 M239 A241 V260 L262 V281 C287 D288 I289N55-M279 CarbonylContact C-O 3.55Å; N55-M279 WeakPolarHBondContact CA-O 3.29Å; I56-M279 HydrophobicContact CB-CB 4.43Å; I56-M279 HydrophobicContact CD1-CE 3.76Å; I56-M279 PolarHBondContact N-O 2.92Å; I56-M279 PolarHBondContact O-N 2.74Å; M239-M279 HydrophobicContact SD-CE 4.23Å; M239-M279 HydrophobicContact SD-SD 4.24Å; A241-M279 HydrophobicContact CB-CE 4Å; V260-M279 HydrophobicContact CG1-CE 3.98Å; V260-M279 HydrophobicContact CG1-SD 3.96Å; L262-M279 HydrophobicContact CD1-CB 3.83Å; L262-M279 HydrophobicContact CD2-CB 4.1Å; M279-V281 HydrophobicContact CE-CG2 4.15Å; M279-C287 HydrophobicContact CG-CB 4.15Å; M279-C287 HydrophobicContact SD-CB 3.85Å; M279-D288 CarbonylContact C-O 3.51Å; M279-D288 WeakPolarHBondContact CA-O 3.43Å; M279-I289 HydrophobicContact CB-CD1 3.68Å; M279-I289 HydrophobicContact CG-CD1 3.72Å; M279-I289 HydrophobicContact SD-CD1 4.02Å
280H98.5Very high95.6Very high46 Ų4661 Ų6121%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-91121.1171.1-175.868.3000109.6N55 C287 D288N55-H280 PolarHBondContact OD1-ND1 2.9Å; H280-C287 CarbonylContact O-C 3.54Å; H280-C287 WeakPolarHBondContact O-CA 3.26Å; H280-D288 HydrophobicContact CB-CB 4.45Å; H280-D288 PolarHBondContact N-O 2.93Å; H280-D288 PolarHBondContact O-N 3.31Å
281V98.6Very high96.2Very high0 Ų062.8 Ų62.80%030%0.304CS..EExtended strand (participates in β ladder)trans-100.1118.7168.7-172.90000107.2P52 P53 V54 I56 V161 I165 M279 M285 H286P52-V281 HydrophobicContact CB-CG1 4.23Å; P52-V281 HydrophobicContact CG-CG1 4.14Å; P53-V281 CarbonylContact C-O 3.58Å; P53-V281 WeakPolarHBondContact CA-O 3.47Å; V54-V281 HydrophobicContact CG1-CB 4.24Å; V54-V281 PolarHBondContact N-O 3.2Å; V54-V281 PolarHBondContact O-N 2.86Å; I56-V281 HydrophobicContact CD1-CG2 3.89Å; I56-V281 HydrophobicContact CG1-CG2 4.38Å; V161-V281 HydrophobicContact CG1-CB 4.48Å; V161-V281 HydrophobicContact CG1-CG1 4.28Å; I165-V281 HydrophobicContact CD1-CG1 4.03Å; I165-V281 HydrophobicContact CD1-CG2 3.86Å; M279-V281 HydrophobicContact CE-CG2 4.15Å; V281-M285 HydrophobicContact CG1-CE 4.23Å; V281-M285 HydrophobicContact CG1-SD 4.08Å; V281-H286 WeakPolarHBondContact CA-O 3.33Å
282N97.9Very high96.4Very high34 Ų3456.2 Ų56.218%0.18227%0.273CS..  trans-86.5179.5179.381.72.8000111.7P52 D284 M285 H286P52-N282 WeakPolarHBondContact CB-O 3.25Å; N282-D284 PolarHBondContact O-N 2.83Å; N282-D284 VanDerWaalsContact OD1-C 3.32Å; N282-D284 WeakPolarHBondContact OD1-CA 3.44Å; N282-D284 PolarHBondContact OD1-N 3.48Å; N282-M285 PolarHBondContact O-N 3.39Å; N282-M285 VanDerWaalsContact O-N 3.08Å; N282-M285 PolarHBondContact OD1-N 2.83Å; N282-M285 VanDerWaalsContact OD1-N 3.15Å; N282-H286 PolarHBondContact N-O 3.04Å; N282-H286 PolarHBondContact OD1-N 3.38Å
283K97.5Very high96.5Very high166 Ų16659 Ų5972%0.72228%0.282SS*.THydrogen-bonded Turntrans-62.6-25.6-179.2-69.2-175.6179.1-176.70114.3P53 M285P53-K283 HydrophobicContact CG-CG 4.46Å; K283-M285 VanDerWaalsContact C-N 3.27Å
284D97.7Very high95.7Very high118 Ų11854.2 Ų54.263%0.63126%0.261SS*.THydrogen-bonded Turntrans-9415.4179.2-49-51.8000111.4N282 H286N282-D284 PolarHBondContact O-N 2.83Å; N282-D284 VanDerWaalsContact OD1-C 3.32Å; N282-D284 WeakPolarHBondContact OD1-CA 3.44Å; N282-D284 PolarHBondContact OD1-N 3.48Å; D284-H286 PolarHBondContact O-CD2 3.19Å; D284-H286 PolarHBondContact O-N 2.89Å; D284-H286 VanDerWaalsContact O-N 3.13Å
285M97.6Very high94.5Very high49 Ų4960.6 Ų60.624%0.24129%0.291CS..  trans63.210.2-177.9-63.2-66.6-5800115.3P52 R164 I165 V281 N282 K283P52-M285 HydrophobicContact CG-SD 3.36Å; P52-M285 WeakPolarHBondContact CG-SD 3.45Å; R164-M285 HydrophobicContact CB-CE 3.72Å; R164-M285 HydrophobicContact CG-CE 4.32Å; I165-M285 HydrophobicContact CD1-CE 3.73Å; I165-M285 HydrophobicContact CG1-CE 3.77Å; V281-M285 HydrophobicContact CG1-CE 4.23Å; V281-M285 HydrophobicContact CG1-SD 4.08Å; N282-M285 PolarHBondContact O-N 3.39Å; N282-M285 VanDerWaalsContact O-N 3.08Å; N282-M285 PolarHBondContact OD1-N 2.83Å; N282-M285 VanDerWaalsContact OD1-N 3.15Å; K283-M285 VanDerWaalsContact C-N 3.27Å
286H97.7Very high92.6Very high120 Ų12069 Ų6956%0.55632%0.32SS*.  trans-69.6136.4172.6-58.9168.5000110.3V281 N282 D284V281-H286 WeakPolarHBondContact CA-O 3.33Å; N282-H286 PolarHBondContact N-O 3.04Å; N282-H286 PolarHBondContact OD1-N 3.38Å; D284-H286 PolarHBondContact O-CD2 3.19Å; D284-H286 PolarHBondContact O-N 2.89Å; D284-H286 VanDerWaalsContact O-N 3.13Å
287C98.1Very high90.4Very high44 Ų4479.5 Ų79.530%0.29736%0.36SS..EExtended strand (participates in β ladder)trans-108.6116.6-175.7-650000110.7M279 H280M279-C287 HydrophobicContact CG-CB 4.15Å; M279-C287 HydrophobicContact SD-CB 3.85Å; H280-C287 CarbonylContact O-C 3.54Å; H280-C287 WeakPolarHBondContact O-CA 3.26Å
288D97.6Very high87.6Confident93 Ų9391 Ų9150%0.49740%0.403SS..EExtended strand (participates in β ladder)trans-112.4127.4176-68.6-51.7000110.8M279 H280M279-D288 CarbonylContact C-O 3.51Å; M279-D288 WeakPolarHBondContact CA-O 3.43Å; H280-D288 HydrophobicContact CB-CB 4.45Å; H280-D288 PolarHBondContact N-O 2.93Å; H280-D288 PolarHBondContact O-N 3.31Å
289I98Very high85Confident47 Ų4797.5 Ų97.524%0.24144%0.443CS..EExtended strand (participates in β ladder)trans-88.2124175.2-57-63.4000110.2Y251 F253 L262 A277 M279Y251-I289 HydrophobicContact CD1-CG2 3.59Å; Y251-I289 HydrophobicContact CD2-CG1 4.09Å; Y251-I289 HydrophobicContact CD2-CG2 4.24Å; Y251-I289 HydrophobicContact CE1-CG2 3.9Å; Y251-I289 HydrophobicContact CE2-CG1 4.34Å; Y251-I289 HydrophobicContact CG-CG1 4.37Å; Y251-I289 HydrophobicContact CG-CG2 3.77Å; F253-I289 HydrophobicContact CZ-CG1 4.35Å; L262-I289 HydrophobicContact CD2-CD1 4.07Å; A277-I289 HydrophobicContact CB-CG2 3.87Å; M279-I289 HydrophobicContact CB-CD1 3.68Å; M279-I289 HydrophobicContact CG-CD1 3.72Å; M279-I289 HydrophobicContact SD-CD1 4.02Å
290K96.2Very high82.1Confident84 Ų84112.5 Ų112.537%0.36550%0.499SS..EExtended strand (participates in β ladder)trans-102.2113.1169.4-71.2175178177.70109.2A277 M278 F292A277-K290 CarbonylContact C-O 3.59Å; A277-K290 VanDerWaalsContact CA-O 3.26Å; A277-K290 WeakPolarHBondContact CA-O 3.3Å; M278-K290 HydrophobicContact CE-CB 4.05Å; M278-K290 HydrophobicContact CE-CD 3.3Å; M278-K290 HydrophobicContact CE-CG 4.31Å; M278-K290 HydrophobicContact CG-CB 3.95Å; M278-K290 PolarHBondContact N-O 3.21Å; M278-K290 PolarHBondContact O-N 3.39Å; K290-F292 HydrophobicContact CB-CE2 4.48Å; K290-F292 HydrophobicContact CB-CZ 4.07Å; K290-F292 WeakPolarHBondContact O-CE2 3.25Å
291Q95.5Very high81.2Confident79 Ų79115.8 Ų115.837%0.36951%0.514SS..EExtended strand (participates in β ladder)trans-96.3142.5-178.3-161.1-171.326.100111.5K249 D275 A276K249-Q291 WeakPolarHBondContact O-CG 3.21Å; K249-Q291 PolarHBondContact O-NE2 3.16Å; D275-Q291 HydrophobicContact CB-CG 4.07Å; D275-Q291 PolarHBondContact OD2-NE2 2.91Å; A276-Q291 CarbonylContact O-C 3.57Å; A276-Q291 WeakPolarHBondContact O-CA 3.19Å; A276-Q291 WeakPolarHBondContact O-CG 3.5Å
292F90.9Very high80.3Confident22 Ų22121.9 Ų121.910%0.09654%0.541CS..EExtended strand (participates in β ladder)trans-128.2117.9178.8-48.5-74.8000110.3N73 A276 M278 K290N73-F292 HydrophobicContact CB-CD1 4.41Å; N73-F292 HydrophobicContact CB-CE1 3.41Å; N73-F292 VanDerWaalsContact CB-CE1 3.41Å; N73-F292 HydrophobicContact CB-CZ 3.94Å; A276-F292 HydrophobicContact CB-CB 4.25Å; A276-F292 HydrophobicContact CB-CD2 4.38Å; A276-F292 PolarHBondContact N-O 3.39Å; A276-F292 PolarHBondContact O-N 2.92Å; M278-F292 HydrophobicContact CB-CE2 4.29Å; M278-F292 HydrophobicContact CE-CE2 4.43Å; M278-F292 HydrophobicContact CE-CZ 3.73Å; M278-F292 HydrophobicContact CG-CE2 3.78Å; M278-F292 HydrophobicContact CG-CZ 4.01Å; M278-F292 HydrophobicContact SD-CE2 4.01Å; M278-F292 HydrophobicContact SD-CZ 3.86Å; K290-F292 HydrophobicContact CB-CE2 4.48Å; K290-F292 HydrophobicContact CB-CZ 4.07Å; K290-F292 WeakPolarHBondContact O-CE2 3.25Å
293R88.3Confident79.3Confident180 Ų180126.8 Ų126.868%0.67956%0.561SS**  trans-71.9145.6175.5-66.2-167173.71770.2112.2R69 D275R69-R293 PolarHBondContact NH1-O 3.33Å; R69-R293 PolarHBondContact NH2-O 2.85Å; D275-R293 WeakPolarHBondContact OD1-CA 3.25Å; D275-R293 WeakPolarHBondContact OD1-CG 3.42Å
294G76.6Confident78.3Confident19 Ų19124.5 Ų124.520%0.19655%0.551CS.*  trans-61.7151.5166.500000111.7R296G294-R296 PolarHBondContact O-N 3.43Å; G294-R296 VanDerWaalsContact O-N 3.1Å
295H69.5Low77.1Confident138 Ų138124.9 Ų124.964%0.63955%0.546SS*.  trans-70.1106.7166-74.374.3000107.2R69 R297R69-H295 VanDerWaalsContact CZ-CE1 3.49Å; R69-H295 PolarHBondContact NH1-ND1 3.38Å; H295-R297 PolarHBondContact O-N 3.47Å; H295-R297 VanDerWaalsContact O-N 3.14Å
296R56.1Low75.7Confident208 Ų208129.9 Ų129.979%0.78557%0.567SS**  trans-55.8123.7166-74.2-175.3176.5-179.4-2.1107G294 R298G294-R296 PolarHBondContact O-N 3.43Å; G294-R296 VanDerWaalsContact O-N 3.1Å; R296-R298 PolarHBondContact O-N 3.07Å
297R51.5Low74.1Confident223 Ų223130.6 Ų130.684%0.84257%0.567SS**  trans-52.5120.8162.7-87.7-178.5166.7159.3-2.5105.6H295 T299H295-R297 PolarHBondContact O-N 3.47Å; H295-R297 VanDerWaalsContact O-N 3.14Å; R297-T299 VanDerWaalsContact C-N 3.33Å; R297-T299 PolarHBondContact O-N 2.92Å
298R39.9Very low72.3Confident240 Ų240137.3 Ų137.391%0.90659%0.588SS**  trans-54.2107.9163.8-87.4-179163.3176.5-5.5105.1R296 R300R296-R298 PolarHBondContact O-N 3.07Å; R298-R300 PolarHBondContact O-N 3.18Å
299T42.5Very low70.2Confident138 Ų138141 Ų14185%0.84760%0.596SS**  trans-54.9112.4162.544.50000105.2R297R297-T299 VanDerWaalsContact C-N 3.33Å; R297-T299 PolarHBondContact O-N 2.92Å
300R37Very low67.6Low314 Ų314149.5 Ų149.5100%1.18563%0.628SS**  trans-71.20167.4-80.3-173.8174.9-174-1.3108.6R298R298-R300 PolarHBondContact O-N 3.18Å

Retrieved 300 of 300 residues in 668.1 ms (Link to these results)

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