A0A096NMH2_PAPAN Loading...

Acidic leucine-rich nuclear phosphoprotein 32 family member

Multifunctional protein that is involved in the regulation of many processes.

AlphaFold DB (P39687), UniProt , Accession A0A096NMH2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 249 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
1M89.8Confident93.7Very high106 Ų10668.2 Ų68.252%0.52233%0.326SS..  0145.50179-178.2-75.900107.8R5 R6 L9 S27 R28M1-R5 HydrophobicContact CG-CB 4.07Å; M1-R5 HydrophobicContact SD-CB 4.47Å; M1-R6 HydrophobicContact SD-CB 4.2Å; M1-L9 HydrophobicContact CE-CD1 3.51Å; M1-L9 HydrophobicContact SD-CD1 3.47Å; M1-L9 WeakPolarHBondContact SD-CD1 3.22Å; M1-S27 CarbonylContact O-C 3.43Å; M1-S27 VanDerWaalsContact O-CA 3.28Å; M1-S27 WeakPolarHBondContact O-CA 3.42Å; M1-R28 PolarHBondContact O-N 2.95Å
2E94Very high93.5Very high68 Ų6878.9 Ų78.932%0.31836%0.361SS..BIsolated β-bridgetrans-65.4145.3175.8-73.3162.2-178.600111.2G4 R5 R6E2-G4 PolarHBondContact O-N 2.93Å; E2-R5 HydrophobicContact CB-CG 4.31Å; E2-R5 PolarHBondContact O-N 2.94Å; E2-R5 IonicContact OE2-CZ 2.89Å; E2-R5 IonicContact OE2-NE 2.79Å; E2-R5 PolarHBondContact OE2-NE 3.31Å; E2-R5 IonicContact OE2-NH2 3.91Å; E2-R5 PolarHBondContact OE2-NH2 3.31Å; E2-R6 PolarHBondContact O-N 3.07Å
3M94.5Very high93.1Very high1 Ų185.7 Ų85.71%0.00540%0.402CS..Hα-helixtrans-56.1-48.7-177.5-174.4175.8-73.300112.5R5 R6 I7 L24 R28 L34 V52M3-R5 VanDerWaalsContact C-N 3.31Å; M3-R5 PolarHBondContact O-N 3.37Å; M3-R6 WeakPolarHBondContact O-CA 3.37Å; M3-R6 WeakPolarHBondContact O-CB 3.49Å; M3-R6 PolarHBondContact O-N 3.4Å; M3-I7 HydrophobicContact CG-CD1 4.21Å; M3-I7 WeakPolarHBondContact O-CG1 3Å; M3-I7 PolarHBondContact O-N 2.6Å; M3-L24 HydrophobicContact CG-CD1 4.07Å; M3-L24 HydrophobicContact SD-CD1 4.41Å; M3-R28 PolarHBondContact N-O 3.33Å; M3-L34 HydrophobicContact CE-CD2 3.96Å; M3-L34 HydrophobicContact SD-CD2 3.89Å; M3-V52 HydrophobicContact CE-CB 4.03Å; M3-V52 HydrophobicContact CE-CG1 4.39Å; M3-V52 HydrophobicContact CE-CG2 3.9Å
4G92.9Very high93Very high36 Ų3687.6 Ų87.637%0.37140%0.403SS..Hα-helixtrans-59.5-38.1178.500000113.7E2 R6 I7 H8E2-G4 PolarHBondContact O-N 2.93Å; G4-R6 VanDerWaalsContact C-N 3.34Å; G4-I7 PolarHBondContact O-N 3.13Å; G4-H8 PolarHBondContact O-N 3.01Å; G4-H8 VanDerWaalsContact O-N 3.14Å
5R93.7Very high93.2Very high163 Ų16386.5 Ų86.562%0.61541%0.405SS*.Hα-helixtrans-68.1-35.6173.6-61.6-172.3-159.9-154.3-1.8111.8M1 E2 M3 L9M1-R5 HydrophobicContact CG-CB 4.07Å; M1-R5 HydrophobicContact SD-CB 4.47Å; E2-R5 HydrophobicContact CB-CG 4.31Å; E2-R5 PolarHBondContact O-N 2.94Å; E2-R5 IonicContact OE2-CZ 2.89Å; E2-R5 IonicContact OE2-NE 2.79Å; E2-R5 PolarHBondContact OE2-NE 3.31Å; E2-R5 IonicContact OE2-NH2 3.91Å; E2-R5 PolarHBondContact OE2-NH2 3.31Å; M3-R5 VanDerWaalsContact C-N 3.31Å; M3-R5 PolarHBondContact O-N 3.37Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 2.78Å; R5-L9 VanDerWaalsContact O-N 3.17Å
6R95.6Very high93.3Very high73 Ų7382.8 Ų82.828%0.27539%0.391SS..Hα-helixtrans-64.8-46.1176.7-17461.2-175.6-118.97110.6M1 E2 M3 G4 H8 L9 E10 L24M1-R6 HydrophobicContact SD-CB 4.2Å; E2-R6 PolarHBondContact O-N 3.07Å; M3-R6 WeakPolarHBondContact O-CA 3.37Å; M3-R6 WeakPolarHBondContact O-CB 3.49Å; M3-R6 PolarHBondContact O-N 3.4Å; G4-R6 VanDerWaalsContact C-N 3.34Å; R6-H8 PolarHBondContact O-N 3Å; R6-L9 PolarHBondContact O-N 2.95Å; R6-L9 VanDerWaalsContact O-N 3.12Å; R6-E10 HydrophobicContact CG-CG 4.4Å; R6-E10 IonicContact CZ-OE1 3.32Å; R6-E10 IonicContact NE-OE1 3.49Å; R6-E10 PolarHBondContact NE-OE1 3.45Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 3.3Å; R6-E10 WeakPolarHBondContact O-CG 3.4Å; R6-E10 PolarHBondContact O-N 2.7Å; R6-L24 HydrophobicContact CB-CD2 4.34Å; R6-L24 HydrophobicContact CG-CD2 3.92Å
7I95.1Very high93.5Very high9 Ų980.5 Ų80.55%0.04639%0.386CS..Hα-helixtrans-54.7-51.8175.3-66.7169.1000110.4M3 G4 L9 E10 L11 L24 E35 L37 F41M3-I7 HydrophobicContact CG-CD1 4.21Å; M3-I7 WeakPolarHBondContact O-CG1 3Å; M3-I7 PolarHBondContact O-N 2.6Å; G4-I7 PolarHBondContact O-N 3.13Å; I7-L9 PolarHBondContact O-N 3.23Å; I7-E10 PolarHBondContact O-N 2.73Å; I7-L11 HydrophobicContact CG2-CD1 4.16Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CG 3.41Å; I7-L11 PolarHBondContact O-N 3.37Å; I7-L24 HydrophobicContact CD1-CD1 4.12Å; I7-L24 HydrophobicContact CG1-CD1 3.87Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.4Å; I7-E35 VanDerWaalsContact CD1-O 3.29Å; I7-E35 WeakPolarHBondContact CD1-O 3.18Å; I7-L37 HydrophobicContact CD1-CD2 4.03Å; I7-L37 HydrophobicContact CD1-CG 4.2Å; I7-F41 HydrophobicContact CG2-CZ 3.97Å
8H93.6Very high93.6Very high136 Ų13681.9 Ų81.963%0.6340%0.396SS*.Hα-helixtrans-56-38.4178.7-177.974.8000113.2G4 R6G4-H8 PolarHBondContact O-N 3.01Å; G4-H8 VanDerWaalsContact O-N 3.14Å; R6-H8 PolarHBondContact O-N 3Å
9L94.4Very high93.7Very high91 Ų9177.6 Ų77.648%0.47638%0.375SS..Hα-helixtrans-71.2-36.1176.2-70173.3000113.5M1 R5 R6 I7 R12M1-L9 HydrophobicContact CE-CD1 3.51Å; M1-L9 HydrophobicContact SD-CD1 3.47Å; M1-L9 WeakPolarHBondContact SD-CD1 3.22Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 2.78Å; R5-L9 VanDerWaalsContact O-N 3.17Å; R6-L9 PolarHBondContact O-N 2.95Å; R6-L9 VanDerWaalsContact O-N 3.12Å; I7-L9 PolarHBondContact O-N 3.23Å; L9-R12 WeakPolarHBondContact O-CG 3.31Å
10E93.5Very high93.9Very high43 Ų4379 Ų7920%0.20138%0.379CS..Hα-helixtrans-72.1-31.1178.3-66.6-56.8160.600112.2R6 I7 R12 R14 L22R6-E10 HydrophobicContact CG-CG 4.4Å; R6-E10 IonicContact CZ-OE1 3.32Å; R6-E10 IonicContact NE-OE1 3.49Å; R6-E10 PolarHBondContact NE-OE1 3.45Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 3.3Å; R6-E10 WeakPolarHBondContact O-CG 3.4Å; R6-E10 PolarHBondContact O-N 2.7Å; I7-E10 PolarHBondContact O-N 2.73Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 3.18Å; E10-R14 PolarHBondContact O-NH2 3.13Å; E10-L22 HydrophobicContact CB-CD1 3.66Å; E10-L22 HydrophobicContact CG-CD1 4.11Å
11L93.9Very high94Very high24 Ų2480.6 Ų80.613%0.12639%0.387CS..Hα-helixtrans-64.1-36.8177.7-69.1-179.2000112.2I7 N13 R14 P16 V19 F41I7-L11 HydrophobicContact CG2-CD1 4.16Å; I7-L11 HydrophobicContact CG2-CG 4.32Å; I7-L11 WeakPolarHBondContact O-CG 3.41Å; I7-L11 PolarHBondContact O-N 3.37Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.24Å; L11-R14 WeakPolarHBondContact O-CB 3.26Å; L11-R14 VanDerWaalsContact O-CG 3.26Å; L11-R14 WeakPolarHBondContact O-CG 3.15Å; L11-R14 PolarHBondContact O-N 3.19Å; L11-R14 PolarHBondContact O-NE 3.21Å; L11-R14 VanDerWaalsContact O-NE 3.13Å; L11-P16 HydrophobicContact CD1-CG 4.17Å; L11-V19 HydrophobicContact CD2-CG2 3.65Å; L11-F41 HydrophobicContact CD2-CE1 4.05Å
12R90.6Very high94.4Very high197 Ų19775.6 Ų75.674%0.74336%0.362SS*.THydrogen-bonded Turntrans47.245.3179.3-59.4-171.6179.5-174.43113.8L9 E10 R14L9-R12 WeakPolarHBondContact O-CG 3.31Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 3.18Å; R12-R14 PolarHBondContact O-N 3.09Å
13N88.3Confident94.5Very high167 Ų16774.8 Ų74.889%0.89336%0.362SS*.THydrogen-bonded Turntrans69.29.6-175.5-44.4-42.9000115.6L11L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.24Å
14R92.9Very high94.6Very high113 Ų11374.8 Ų74.843%0.42636%0.361SS..  trans-74.6149.6165-61.2178.4-70.6169.5-0.1109.8E10 L11 R12 V19E10-R14 PolarHBondContact O-NH2 3.13Å; L11-R14 WeakPolarHBondContact O-CB 3.26Å; L11-R14 VanDerWaalsContact O-CG 3.26Å; L11-R14 WeakPolarHBondContact O-CG 3.15Å; L11-R14 PolarHBondContact O-N 3.19Å; L11-R14 PolarHBondContact O-NE 3.21Å; L11-R14 VanDerWaalsContact O-NE 3.13Å; R12-R14 PolarHBondContact O-N 3.09Å; R14-V19 HydrophobicContact CB-CG2 4.45Å
15T94.7Very high94.8Very high70 Ų7074.6 Ų74.643%0.42935%0.352SS..  trans-68.3143.6165.647.60000109.2S17 D18T15-S17 WeakPolarHBondContact CB-OG 3.34Å; T15-S17 PolarHBondContact O-N 3.38Å; T15-S17 PolarHBondContact OG1-OG 2.86Å; T15-S17 VanDerWaalsContact OG1-OG 3.09Å; T15-D18 PolarHBondContact O-N 3.23Å; T15-D18 PolarHBondContact OG1-OD1 3.19Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.13Å
16P96.1Very high95Very high28 Ų2871.9 Ų71.918%0.18235%0.35CS..G310 helixtrans-55-31.4174.2-27.235.9000113.5L11 D18 V19 E40 F41L11-P16 HydrophobicContact CD1-CG 4.17Å; P16-D18 PolarHBondContact O-N 3.17Å; P16-V19 PolarHBondContact O-N 3.29Å; P16-E40 CarbonylContact C-O 3.48Å; P16-E40 HydrophobicContact CB-CB 3.99Å; P16-F41 HydrophobicContact CB-CD1 4.04Å; P16-F41 HydrophobicContact CB-CD2 4.2Å; P16-F41 HydrophobicContact CB-CE1 3.94Å; P16-F41 HydrophobicContact CB-CE2 4.1Å; P16-F41 HydrophobicContact CB-CG 4.18Å; P16-F41 HydrophobicContact CB-CZ 3.97Å
17S96Very high95Very high44 Ų4468.7 Ų68.731%0.30834%0.338SS..G310 helixtrans-59-29.6178.958.70000113.7T15 E40 E43T15-S17 WeakPolarHBondContact CB-OG 3.34Å; T15-S17 PolarHBondContact O-N 3.38Å; T15-S17 PolarHBondContact OG1-OG 2.86Å; T15-S17 VanDerWaalsContact OG1-OG 3.09Å; S17-E40 WeakPolarHBondContact CA-O 3.39Å; S17-E40 PolarHBondContact N-O 3.06Å; S17-E40 VanDerWaalsContact N-O 3.15Å; S17-E43 WeakPolarHBondContact O-CB 3.19Å; S17-E43 WeakPolarHBondContact O-CG 3.4Å
18D94.6Very high95Very high105 Ų10575.7 Ų75.756%0.56136%0.364SS*.G310 helixtrans-97.31.8-170.5-59.83.8000112.4T15 P16T15-D18 PolarHBondContact O-N 3.23Å; T15-D18 PolarHBondContact OG1-OD1 3.19Å; T15-D18 PolarHBondContact OG1-OD2 3.47Å; T15-D18 VanDerWaalsContact OG1-OD2 3.13Å; P16-D18 PolarHBondContact O-N 3.17Å
19V96.3Very high95.1Very high0 Ų070 Ų700%034%0.34CS..  trans-91111.1-172.6178.50000110.7L11 R14 P16 E21 L22 E43 L44L11-V19 HydrophobicContact CD2-CG2 3.65Å; R14-V19 HydrophobicContact CB-CG2 4.45Å; P16-V19 PolarHBondContact O-N 3.29Å; V19-E21 WeakPolarHBondContact CG1-O 3.44Å; V19-L22 HydrophobicContact CG1-CB 4.41Å; V19-E43 CarbonylContact O-C 3.34Å; V19-L44 HydrophobicContact CG1-CD1 4.2Å; V19-L44 WeakPolarHBondContact O-CA 2.99Å; V19-L44 PolarHBondContact O-N 3.17Å
20K96.7Very high95.1Very high105 Ų10569 Ų6946%0.45734%0.335SS..SBendtrans-82-29.3174.4-61.4-167.9174.1-1650114.6E43 E45 F46K20-E43 WeakPolarHBondContact CA-O 3.07Å; K20-E45 PolarHBondContact O-N 2.97Å; K20-F46 PolarHBondContact O-N 3.05Å
21E97.2Very high95.1Very high114 Ų11474.3 Ų74.353%0.53336%0.36SS..EExtended strand (participates in β ladder)trans-132.6129.3-174.4-94.8172.1-158.400110.7V19 F46V19-E21 WeakPolarHBondContact CG1-O 3.44Å; E21-F46 HydrophobicContact CB-CD1 4.49Å; E21-F46 HydrophobicContact CG-CB 3.65Å; E21-F46 HydrophobicContact CG-CD1 3.89Å; E21-F46 HydrophobicContact CG-CG 4.06Å
22L97.3Very high95.2Very high1 Ų173.4 Ų73.41%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-134.6119.8177.4-172.562.8000111.6E10 V19 L24 L37 F41 L44 F46 L47 S48E10-L22 HydrophobicContact CB-CD1 3.66Å; E10-L22 HydrophobicContact CG-CD1 4.11Å; V19-L22 HydrophobicContact CG1-CB 4.41Å; L22-L24 HydrophobicContact CD1-CD2 3.96Å; L22-L24 HydrophobicContact CD2-CD1 4.14Å; L22-L24 HydrophobicContact CD2-CD2 4.28Å; L22-L24 HydrophobicContact CD2-CG 4.3Å; L22-L24 HydrophobicContact CG-CD1 4.38Å; L22-L24 HydrophobicContact CG-CD2 3.92Å; L22-L24 HydrophobicContact CG-CG 4.01Å; L22-L37 HydrophobicContact CD2-CD2 3.54Å; L22-F41 HydrophobicContact CD2-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CE1 3.93Å; L22-F41 HydrophobicContact CD2-CZ 4.43Å; L22-L44 HydrophobicContact CB-CD1 3.64Å; L22-F46 PolarHBondContact N-O 2.82Å; L22-L47 HydrophobicContact CB-CD1 4.21Å; L22-L47 HydrophobicContact CD2-CD1 4.2Å; L22-L47 HydrophobicContact CG-CD1 4.32Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L22-S48 PolarHBondContact O-N 3.43Å
23V97.2Very high95.4Very high51 Ų5167.9 Ų67.931%0.30934%0.337SS..EExtended strand (participates in β ladder)trans-112.6113.5179.6-179.10000110D25 F46V23-D25 HydrophobicContact CG1-CB 4.17Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.41Å; V23-F46 HydrophobicContact CG2-CE1 4.04Å
24L97Very high95.7Very high0 Ų060.2 Ų60.20%030%0.297CS..  trans-113.515.1-178-54.9-179.1000112.6M3 R6 I7 L22 S27 L37 L47 S48 T49 V52M3-L24 HydrophobicContact CG-CD1 4.07Å; M3-L24 HydrophobicContact SD-CD1 4.41Å; R6-L24 HydrophobicContact CB-CD2 4.34Å; R6-L24 HydrophobicContact CG-CD2 3.92Å; I7-L24 HydrophobicContact CD1-CD1 4.12Å; I7-L24 HydrophobicContact CG1-CD1 3.87Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.4Å; L22-L24 HydrophobicContact CD1-CD2 3.96Å; L22-L24 HydrophobicContact CD2-CD1 4.14Å; L22-L24 HydrophobicContact CD2-CD2 4.28Å; L22-L24 HydrophobicContact CD2-CG 4.3Å; L22-L24 HydrophobicContact CG-CD1 4.38Å; L22-L24 HydrophobicContact CG-CD2 3.92Å; L22-L24 HydrophobicContact CG-CG 4.01Å; L24-S27 WeakPolarHBondContact O-CB 3.19Å; L24-S27 PolarHBondContact O-N 2.76Å; L24-S27 PolarHBondContact O-OG 3.28Å; L24-L37 HydrophobicContact CD1-CD2 4.38Å; L24-L47 HydrophobicContact CD1-CD1 4.25Å; L24-S48 WeakPolarHBondContact CA-O 3.3Å; L24-S48 WeakPolarHBondContact CB-O 3.47Å; L24-S48 PolarHBondContact N-O 2.96Å; L24-T49 HydrophobicContact CB-CG2 4.12Å; L24-T49 HydrophobicContact CD1-CG2 4.17Å; L24-V52 WeakPolarHBondContact O-CG1 3.49Å
25D97.2Very high95.7Very high32 Ų3258.3 Ų58.317%0.17129%0.293CS..THydrogen-bonded Turntrans-56.7145.6-175.8-57.4-12.2000112.6V23 S27 S48 T49 I50V23-D25 HydrophobicContact CG1-CB 4.17Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.41Å; D25-S27 PolarHBondContact O-N 3.38Å; D25-S48 VanDerWaalsContact CG-OG 3.28Å; D25-S48 WeakPolarHBondContact OD1-CB 3.49Å; D25-S48 PolarHBondContact OD1-OG 2.94Å; D25-S48 PolarHBondContact OD2-OG 2.94Å; D25-T49 PolarHBondContact OD1-N 2.9Å; D25-I50 CarbonylContact C-O 3.57Å; D25-I50 VanDerWaalsContact CA-O 3.31Å; D25-I50 WeakPolarHBondContact CA-O 3.41Å; D25-I50 HydrophobicContact CB-CB 4.15Å; D25-I50 WeakPolarHBondContact OD1-CB 3.4Å; D25-I50 PolarHBondContact OD1-N 3.49Å
26N96.8Very high95.6Very high107 Ų10757.2 Ų57.257%0.57230%0.295SS*.THydrogen-bonded Turntrans56.519.2179.7-53.5-79.9000113.5I50 N51N26-I50 PolarHBondContact N-O 2.78Å; N26-N51 PolarHBondContact OD1-ND2 2.93Å; N26-N51 VanDerWaalsContact OD1-ND2 3.09Å
27S96.2Very high95.5Very high5 Ų556.8 Ų56.84%0.03529%0.291CS..  trans-78.5-174.8163.673.50000110.4M1 L24 D25 V52M1-S27 CarbonylContact O-C 3.43Å; M1-S27 VanDerWaalsContact O-CA 3.28Å; M1-S27 WeakPolarHBondContact O-CA 3.42Å; L24-S27 WeakPolarHBondContact O-CB 3.19Å; L24-S27 PolarHBondContact O-N 2.76Å; L24-S27 PolarHBondContact O-OG 3.28Å; D25-S27 PolarHBondContact O-N 3.38Å; S27-V52 WeakPolarHBondContact O-CA 3.4Å; S27-V52 VanDerWaalsContact OG-CG1 3.24Å; S27-V52 WeakPolarHBondContact OG-CG1 3.43Å
28R95.4Very high95.5Very high157 Ų15757.3 Ų57.359%0.59229%0.292SS*.BIsolated β-bridgetrans-129.3120.4176.9-65.5-171.2-60-171.82.1108.4M1 M3M1-R28 PolarHBondContact O-N 2.95Å; M3-R28 PolarHBondContact N-O 3.33Å
29S95.3Very high95.5Very high17 Ų1756.8 Ų56.812%0.11929%0.289CS..  trans-72.9145.6163.853.30000110.1G32 K33 V52 G53S29-G32 WeakPolarHBondContact OG-CA 3.38Å; S29-K33 WeakPolarHBondContact CB-O 3.21Å; S29-V52 PolarHBondContact N-O 3.49Å; S29-V52 PolarHBondContact OG-O 3.19Å; S29-G53 PolarHBondContact OG-O 3.19Å
30N93.9Very high95.5Very high69 Ų6962.4 Ų62.437%0.36932%0.316SS..BIsolated β-bridgetrans-86.8135.7165.6-63.3-44.8000108.2G32 K33 E35N30-G32 PolarHBondContact O-N 3.15Å; N30-K33 PolarHBondContact O-N 3.22Å; N30-E35 WeakPolarHBondContact CB-OE1 3.48Å; N30-E35 PolarHBondContact ND2-OE2 3.18Å
31E93.8Very high95.5Very high155 Ų15557.6 Ų57.672%0.72430%0.295SS*.THydrogen-bonded Turntrans55.315.7-178.7-54.9-178.7175.900115.8K33E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 HydrophobicContact CB-CD 4.43Å; E31-K33 IonicContact OE2-NZ 2.76Å; E31-K33 PolarHBondContact OE2-NZ 3.38Å
32G95Very high95.5Very high5 Ų558.2 Ų58.25%0.05230%0.298CS..THydrogen-bonded Turntrans71.626.4-17500000114.1S29 N30 G53 L54 T55 S56S29-G32 WeakPolarHBondContact OG-CA 3.38Å; N30-G32 PolarHBondContact O-N 3.15Å; G32-G53 VanDerWaalsContact CA-O 3.32Å; G32-G53 WeakPolarHBondContact CA-O 3.43Å; G32-L54 WeakPolarHBondContact O-CA 3.43Å; G32-L54 WeakPolarHBondContact O-CD2 3.42Å; G32-T55 PolarHBondContact O-N 3.18Å; G32-T55 PolarHBondContact O-OG1 2.85Å; G32-S56 PolarHBondContact O-N 2.83Å
33K95.7Very high95.5Very high80 Ų8061.1 Ų61.135%0.34831%0.311SS..BIsolated β-bridgetrans-114.9151.3178.8-63.4172.6-175.1156.20111.9S29 N30 E31S29-K33 WeakPolarHBondContact CB-O 3.21Å; N30-K33 PolarHBondContact O-N 3.22Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 HydrophobicContact CB-CD 4.43Å; E31-K33 IonicContact OE2-NZ 2.76Å; E31-K33 PolarHBondContact OE2-NZ 3.38Å
34L94.8Very high95.5Very high7 Ų758.7 Ų58.74%0.03730%0.296CS..  trans-68.7136.5169.4-70.7168.9000110M3 L37 T49 L54 N59 L60M3-L34 HydrophobicContact CE-CD2 3.96Å; M3-L34 HydrophobicContact SD-CD2 3.89Å; L34-L37 HydrophobicContact CD1-CD1 4.5Å; L34-L37 HydrophobicContact CD2-CD1 4.16Å; L34-T49 HydrophobicContact CD2-CG2 4.11Å; L34-L54 HydrophobicContact CD2-CD1 3.75Å; L34-L54 HydrophobicContact CD2-CD2 3.98Å; L34-L54 HydrophobicContact CD2-CG 4.46Å; L34-L54 HydrophobicContact CG-CD1 4.14Å; L34-L54 HydrophobicContact CG-CD2 3.81Å; L34-N59 HydrophobicContact CB-CB 4.18Å; L34-N59 WeakPolarHBondContact O-CB 3.49Å; L34-N59 PolarHBondContact O-ND2 3.32Å; L34-L60 HydrophobicContact CD1-CB 4.18Å; L34-L60 HydrophobicContact CD1-CD1 3.49Å; L34-L60 VanDerWaalsContact CD1-CD1 3.49Å; L34-L60 HydrophobicContact CD1-CG 4.45Å
35E93.4Very high95.6Very high73 Ų7359.7 Ų59.734%0.34130%0.301SS..  trans-139.5141.2-179.9-66.5-172.5164.800110.9I7 N30 L37I7-E35 VanDerWaalsContact CD1-O 3.29Å; I7-E35 WeakPolarHBondContact CD1-O 3.18Å; N30-E35 WeakPolarHBondContact CB-OE1 3.48Å; N30-E35 PolarHBondContact ND2-OE2 3.18Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 3.39Å
36G92Very high95.6Very high46 Ų4659.9 Ų59.947%0.47430%0.301SS..SBendtrans81.9-3.7177.300000115.3
37L94Very high95.7Very high19 Ų1954.8 Ų54.810%0.09927%0.274CS..  trans-85.7133.6166.3-63.8177000109.5I7 L22 L24 L34 E35 F41 L47 P61I7-L37 HydrophobicContact CD1-CD2 4.03Å; I7-L37 HydrophobicContact CD1-CG 4.2Å; L22-L37 HydrophobicContact CD2-CD2 3.54Å; L24-L37 HydrophobicContact CD1-CD2 4.38Å; L34-L37 HydrophobicContact CD1-CD1 4.5Å; L34-L37 HydrophobicContact CD2-CD1 4.16Å; E35-L37 VanDerWaalsContact C-N 3.27Å; E35-L37 PolarHBondContact O-N 3.39Å; L37-F41 HydrophobicContact CD2-CD2 4.37Å; L37-F41 HydrophobicContact CD2-CE2 4.09Å; L37-F41 HydrophobicContact CD2-CZ 4.21Å; L37-L47 HydrophobicContact CD1-CD1 4.38Å; L37-L47 HydrophobicContact CD1-CD2 3.89Å; L37-P61 HydrophobicContact CB-CG 3.81Å
38T95.3Very high95.8Very high55 Ų5554.8 Ų54.834%0.33727%0.273SS..  trans-130.8174.3-179.161.70000110E40 F41 P61T38-E40 PolarHBondContact O-N 3.17Å; T38-E40 WeakPolarHBondContact OG1-CB 3.19Å; T38-E40 PolarHBondContact OG1-N 2.81Å; T38-F41 WeakPolarHBondContact O-CD2 3.38Å; T38-P61 WeakPolarHBondContact O-CB 3.43Å; T38-P61 WeakPolarHBondContact O-CG 3.37Å
39D95.2Very high95.9Very high94 Ų9447.3 Ų47.350%0.50325%0.245SC..THydrogen-bonded Turntrans-70.2-5.2174.3-67.9-5.8000112.4F41 P61 K62D39-F41 PolarHBondContact O-N 2.82Å; D39-P61 WeakPolarHBondContact OD1-CA 3.42Å; D39-P61 WeakPolarHBondContact OD1-CB 3.46Å; D39-K62 PolarHBondContact OD1-N 3.36Å
40E96.7Very high96Very high118 Ų11848.5 Ų48.555%0.55125%0.25SC*.THydrogen-bonded Turntrans-71.8-13.1178.4-59.3179.9162.200113.6P16 S17 T38 E42P16-E40 CarbonylContact C-O 3.48Å; P16-E40 HydrophobicContact CB-CB 3.99Å; S17-E40 WeakPolarHBondContact CA-O 3.39Å; S17-E40 PolarHBondContact N-O 3.06Å; S17-E40 VanDerWaalsContact N-O 3.15Å; T38-E40 PolarHBondContact O-N 3.17Å; T38-E40 WeakPolarHBondContact OG1-CB 3.19Å; T38-E40 PolarHBondContact OG1-N 2.81Å; E40-E42 PolarHBondContact O-N 3.32Å
41F96.8Very high96.2Very high4 Ų449.1 Ų49.12%0.01825%0.253CS..  trans-80.656.7177-69.4-91.1000111I7 L11 P16 L22 L37 T38 D39 E43 L44 L63I7-F41 HydrophobicContact CG2-CZ 3.97Å; L11-F41 HydrophobicContact CD2-CE1 4.05Å; P16-F41 HydrophobicContact CB-CD1 4.04Å; P16-F41 HydrophobicContact CB-CD2 4.2Å; P16-F41 HydrophobicContact CB-CE1 3.94Å; P16-F41 HydrophobicContact CB-CE2 4.1Å; P16-F41 HydrophobicContact CB-CG 4.18Å; P16-F41 HydrophobicContact CB-CZ 3.97Å; L22-F41 HydrophobicContact CD2-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CE1 3.93Å; L22-F41 HydrophobicContact CD2-CZ 4.43Å; L37-F41 HydrophobicContact CD2-CD2 4.37Å; L37-F41 HydrophobicContact CD2-CE2 4.09Å; L37-F41 HydrophobicContact CD2-CZ 4.21Å; T38-F41 WeakPolarHBondContact O-CD2 3.38Å; D39-F41 PolarHBondContact O-N 2.82Å; F41-E43 PolarHBondContact O-N 2.86Å; F41-L44 HydrophobicContact CB-CB 4.08Å; F41-L44 HydrophobicContact CB-CD2 4.27Å; F41-L44 WeakPolarHBondContact O-CB 3.41Å; F41-L44 PolarHBondContact O-N 3.05Å; F41-L63 HydrophobicContact CB-CD2 3.87Å
42E95.8Very high96.4Very high127 Ų12742 Ų4259%0.59322%0.22SC*.THydrogen-bonded Turntrans-65.8-37.9-168.9-64-175.5-178.800113.2E40 K65E40-E42 PolarHBondContact O-N 3.32Å; E42-K65 WeakPolarHBondContact O-CD 3.38Å
43E97.4Very high96.5Very high62 Ų6243.3 Ų43.329%0.2923%0.234SC..THydrogen-bonded Turntrans-88.45-179.7-62.3-59.2134.500114.3S17 V19 K20 F41 E45 K65S17-E43 WeakPolarHBondContact O-CB 3.19Å; S17-E43 WeakPolarHBondContact O-CG 3.4Å; V19-E43 CarbonylContact O-C 3.34Å; K20-E43 WeakPolarHBondContact CA-O 3.07Å; F41-E43 PolarHBondContact O-N 2.86Å; E43-E45 WeakPolarHBondContact O-CG 3.4Å; E43-E45 PolarHBondContact O-N 3Å; E43-K65 IonicContact OE1-NZ 2.6Å; E43-K65 PolarHBondContact OE1-NZ 3.42Å; E43-K65 WeakPolarHBondContact OE2-CD 3.41Å; E43-K65 IonicContact OE2-NZ 2.7Å; E43-K65 PolarHBondContact OE2-NZ 2.79Å
44L98Very high96.6Very high0 Ų039.5 Ų39.50%022%0.217CC..  trans-69.4115.2-174.4-170.270.6000111.6V19 L22 F41 F46 L47 L63 K65 L66V19-L44 HydrophobicContact CG1-CD1 4.2Å; V19-L44 WeakPolarHBondContact O-CA 2.99Å; V19-L44 PolarHBondContact O-N 3.17Å; L22-L44 HydrophobicContact CB-CD1 3.64Å; F41-L44 HydrophobicContact CB-CB 4.08Å; F41-L44 HydrophobicContact CB-CD2 4.27Å; F41-L44 WeakPolarHBondContact O-CB 3.41Å; F41-L44 PolarHBondContact O-N 3.05Å; L44-F46 WeakPolarHBondContact CD1-O 3.49Å; L44-L47 HydrophobicContact CD2-CB 4.23Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.23Å; L44-K65 CarbonylContact O-C 3.59Å; L44-L66 HydrophobicContact CD2-CD1 4.31Å; L44-L66 HydrophobicContact CG-CD1 4.16Å; L44-L66 WeakPolarHBondContact O-CA 3.5Å; L44-L66 PolarHBondContact O-N 2.93Å
45E98.3Very high96.7Very high21 Ų2142.3 Ų42.310%0.09824%0.235CC..  trans-102.4-28.2-179.9-60.2-169.9118.500112.5K20 E43 K65 K67 K68 Y163K20-E45 PolarHBondContact O-N 2.97Å; E43-E45 WeakPolarHBondContact O-CG 3.4Å; E43-E45 PolarHBondContact O-N 3Å; E45-K65 WeakPolarHBondContact CA-O 3.34Å; E45-K67 PolarHBondContact O-N 2.88Å; E45-K67 IonicContact OE1-NZ 2.78Å; E45-K67 PolarHBondContact OE1-NZ 2.97Å; E45-K68 PolarHBondContact O-N 3.06Å; E45-Y163 HydrophobicContact CB-CE1 3.94Å; E45-Y163 HydrophobicContact CG-CE1 4.4Å; E45-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E45-Y163 WeakPolarHBondContact OE2-CE1 3.38Å
46F98.2Very high96.8Very high36 Ų3640.8 Ų40.816%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-134.2127-178.6173.8-85.8000111.9K20 E21 L22 V23 L44 K68 E70K20-F46 PolarHBondContact O-N 3.05Å; E21-F46 HydrophobicContact CB-CD1 4.49Å; E21-F46 HydrophobicContact CG-CB 3.65Å; E21-F46 HydrophobicContact CG-CD1 3.89Å; E21-F46 HydrophobicContact CG-CG 4.06Å; L22-F46 PolarHBondContact N-O 2.82Å; V23-F46 HydrophobicContact CG2-CE1 4.04Å; L44-F46 WeakPolarHBondContact CD1-O 3.49Å; F46-K68 WeakPolarHBondContact CA-O 3.33Å; F46-K68 HydrophobicContact CD2-CB 3.8Å; F46-K68 HydrophobicContact CD2-CD 3.75Å; F46-K68 HydrophobicContact CD2-CG 3.63Å; F46-K68 HydrophobicContact CE2-CB 4.46Å; F46-K68 HydrophobicContact CE2-CD 3.73Å; F46-K68 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CE2-CG 4.08Å; F46-E70 HydrophobicContact CZ-CG 4.13Å
47L98.1Very high97.1Very high1 Ų138.7 Ų38.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-126.9124176177.660.4000110.2L22 L24 L37 L44 T49 L60 L63 L66 K68 L69 E70L22-L47 HydrophobicContact CB-CD1 4.21Å; L22-L47 HydrophobicContact CD2-CD1 4.2Å; L22-L47 HydrophobicContact CG-CD1 4.32Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L24-L47 HydrophobicContact CD1-CD1 4.25Å; L37-L47 HydrophobicContact CD1-CD1 4.38Å; L37-L47 HydrophobicContact CD1-CD2 3.89Å; L44-L47 HydrophobicContact CD2-CB 4.23Å; L47-T49 HydrophobicContact CD1-CG2 4.07Å; L47-T49 HydrophobicContact CG-CG2 4.2Å; L47-L60 HydrophobicContact CD2-CD1 4.18Å; L47-L63 HydrophobicContact CD2-CD1 4.35Å; L47-L66 HydrophobicContact CB-CD1 3.73Å; L47-K68 PolarHBondContact N-O 2.92Å; L47-L69 HydrophobicContact CB-CD1 3.99Å; L47-L69 HydrophobicContact CD2-CD1 3.88Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.5Å; L47-E70 PolarHBondContact O-N 2.99Å
48S98.3Very high97.1Very high4 Ų440.6 Ų40.63%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-116.6125.6173.7-168.90000111.8L22 L24 D25 I50L22-S48 PolarHBondContact O-N 3.43Å; L24-S48 WeakPolarHBondContact CA-O 3.3Å; L24-S48 WeakPolarHBondContact CB-O 3.47Å; L24-S48 PolarHBondContact N-O 2.96Å; D25-S48 VanDerWaalsContact CG-OG 3.28Å; D25-S48 WeakPolarHBondContact OD1-CB 3.49Å; D25-S48 PolarHBondContact OD1-OG 2.94Å; D25-S48 PolarHBondContact OD2-OG 2.94Å; S48-I50 WeakPolarHBondContact OG-CG1 3.44Å
49T97.7Very high97.1Very high1 Ų142 Ų421%0.00623%0.234CC..  trans-134.549.3-179.152.50000110.6L24 D25 L34 L47 V52 E70 L71 N74L24-T49 HydrophobicContact CB-CG2 4.12Å; L24-T49 HydrophobicContact CD1-CG2 4.17Å; D25-T49 PolarHBondContact OD1-N 2.9Å; L34-T49 HydrophobicContact CD2-CG2 4.11Å; L47-T49 HydrophobicContact CD1-CG2 4.07Å; L47-T49 HydrophobicContact CG-CG2 4.2Å; T49-V52 WeakPolarHBondContact O-CG2 3.4Å; T49-E70 PolarHBondContact N-O 2.92Å; T49-E70 PolarHBondContact OG1-O 3.04Å; T49-E70 VanDerWaalsContact OG1-O 3.09Å; T49-L71 VanDerWaalsContact OG1-CD2 3.26Å; T49-L71 WeakPolarHBondContact OG1-CD2 3.36Å; T49-N74 PolarHBondContact O-ND2 2.96Å
50I98Very high97.2Very high41 Ų4137.8 Ų37.821%0.2121%0.211CC..THydrogen-bonded Turntrans-75.4133.9-175.1-56.2177.8000110.5D25 N26 S48 V52 E70 S72 D73D25-I50 CarbonylContact C-O 3.57Å; D25-I50 VanDerWaalsContact CA-O 3.31Å; D25-I50 WeakPolarHBondContact CA-O 3.41Å; D25-I50 HydrophobicContact CB-CB 4.15Å; D25-I50 WeakPolarHBondContact OD1-CB 3.4Å; D25-I50 PolarHBondContact OD1-N 3.49Å; N26-I50 PolarHBondContact N-O 2.78Å; S48-I50 WeakPolarHBondContact OG-CG1 3.44Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 2.91Å; I50-E70 HydrophobicContact CD1-CB 4.25Å; I50-E70 HydrophobicContact CG1-CB 4.12Å; I50-S72 WeakPolarHBondContact CA-O 3.33Å; I50-S72 WeakPolarHBondContact CD1-OG 3.41Å; I50-S72 VanDerWaalsContact CG1-OG 3.26Å; I50-S72 WeakPolarHBondContact CG1-OG 3.49Å; I50-S72 WeakPolarHBondContact CG2-OG 3.37Å; I50-D73 HydrophobicContact CG2-CB 4.33Å
51N97.8Very high97.2Very high82 Ų8232.6 Ų32.644%0.43919%0.188SC..THydrogen-bonded Turntrans52.747.8174.7-176.136.3000113.2N26 S72 D73N26-N51 PolarHBondContact OD1-ND2 2.93Å; N26-N51 VanDerWaalsContact OD1-ND2 3.09Å; N51-S72 PolarHBondContact N-O 2.91Å; N51-S72 VanDerWaalsContact N-O 3.08Å; N51-D73 WeakPolarHBondContact CA-O 3.29Å; N51-D73 HydrophobicContact CB-CB 3.97Å
52V97.4Very high97.2Very high5 Ų537.4 Ų37.43%0.0321%0.209CC..SBendtrans-105.1-3.4178.1-56.40000113.1M3 L24 S27 S29 T49 I50 L54 N74M3-V52 HydrophobicContact CE-CB 4.03Å; M3-V52 HydrophobicContact CE-CG1 4.39Å; M3-V52 HydrophobicContact CE-CG2 3.9Å; L24-V52 WeakPolarHBondContact O-CG1 3.49Å; S27-V52 WeakPolarHBondContact O-CA 3.4Å; S27-V52 VanDerWaalsContact OG-CG1 3.24Å; S27-V52 WeakPolarHBondContact OG-CG1 3.43Å; S29-V52 PolarHBondContact N-O 3.49Å; S29-V52 PolarHBondContact OG-O 3.19Å; T49-V52 WeakPolarHBondContact O-CG2 3.4Å; I50-V52 VanDerWaalsContact C-N 3.34Å; I50-V52 PolarHBondContact O-N 2.91Å; V52-L54 HydrophobicContact CG2-CB 4.38Å; V52-L54 HydrophobicContact CG2-CD1 3.64Å; V52-L54 HydrophobicContact CG2-CG 3.56Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.12Å; V52-N74 PolarHBondContact N-OD1 3.43Å
53G97Very high97.3Very high33 Ų3331.4 Ų31.434%0.3418%0.181SC..  trans82.720.8177.800000115.1S29 G32 N74S29-G53 PolarHBondContact OG-O 3.19Å; G32-G53 VanDerWaalsContact CA-O 3.32Å; G32-G53 WeakPolarHBondContact CA-O 3.43Å; G53-N74 PolarHBondContact N-OD1 3.17Å
54L97.9Very high97.2Very high0 Ų031.8 Ų31.80%019%0.185CC..  trans-61.7138.3177.8-73.1164.5000111G32 L34 V52 L71 N74 R75 V76G32-L54 WeakPolarHBondContact O-CA 3.43Å; G32-L54 WeakPolarHBondContact O-CD2 3.42Å; L34-L54 HydrophobicContact CD2-CD1 3.75Å; L34-L54 HydrophobicContact CD2-CD2 3.98Å; L34-L54 HydrophobicContact CD2-CG 4.46Å; L34-L54 HydrophobicContact CG-CD1 4.14Å; L34-L54 HydrophobicContact CG-CD2 3.81Å; V52-L54 HydrophobicContact CG2-CB 4.38Å; V52-L54 HydrophobicContact CG2-CD1 3.64Å; V52-L54 HydrophobicContact CG2-CG 3.56Å; L54-L71 HydrophobicContact CD1-CD2 3.89Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.14Å; L54-R75 CarbonylContact O-C 3.49Å; L54-R75 WeakPolarHBondContact O-CA 3.42Å; L54-R75 WeakPolarHBondContact O-CB 3.49Å; L54-R75 PolarHBondContact O-N 2.95Å; L54-V76 HydrophobicContact CB-CG2 4.38Å
55T97.5Very high97.2Very high67 Ų6736.1 Ų36.141%0.41120%0.204SC..SBendtrans-111.9-18.3170.959.80000111.5G32 R75G32-T55 PolarHBondContact O-N 3.18Å; G32-T55 PolarHBondContact O-OG1 2.85Å; T55-R75 HydrophobicContact CG2-CB 4.25Å
56S96.4Very high97.2Very high40 Ų4035.1 Ų35.128%0.2820%0.199SC..  trans-149.4152.6179.21770000110.5G32 A58G32-S56 PolarHBondContact O-N 2.83Å; S56-A58 WeakPolarHBondContact OG-CB 3.47Å; S56-A58 PolarHBondContact OG-N 3.21Å; S56-A58 VanDerWaalsContact OG-N 3.15Å
57I96.7Very high97.2Very high2 Ų236.6 Ų36.61%0.0121%0.205CC..  trans-10813.6174.459.3168.8000112.4N59 L60 L71 V76 L80 L83I57-N59 PolarHBondContact O-N 3.3Å; I57-N59 VanDerWaalsContact O-N 3.09Å; I57-L60 WeakPolarHBondContact O-CB 3.47Å; I57-L60 PolarHBondContact O-N 3.13Å; I57-L71 HydrophobicContact CG2-CD1 3.96Å; I57-L71 HydrophobicContact CG2-CD2 3.93Å; I57-V76 HydrophobicContact CG2-CG2 4.11Å; I57-L80 HydrophobicContact CD1-CD2 3.89Å; I57-L83 HydrophobicContact CD1-CD1 4.03Å; I57-L83 HydrophobicContact CD1-CD2 3.72Å; I57-L83 HydrophobicContact CD1-CG 3.64Å
58A95.5Very high97.2Very high59 Ų5938.3 Ų38.349%0.48821%0.213SC..THydrogen-bonded Turntrans-59.8-24.7-175.300000114.6S56 L60S56-A58 WeakPolarHBondContact OG-CB 3.47Å; S56-A58 PolarHBondContact OG-N 3.21Å; S56-A58 VanDerWaalsContact OG-N 3.15Å; A58-L60 VanDerWaalsContact C-N 3.28Å; A58-L60 PolarHBondContact O-N 3.25Å
59N95.5Very high97.2Very high85 Ų8538.3 Ų38.346%0.45521%0.212SC..THydrogen-bonded Turntrans-88.112.4179.7-74.823000113.3L34 I57 P61L34-N59 HydrophobicContact CB-CB 4.18Å; L34-N59 WeakPolarHBondContact O-CB 3.49Å; L34-N59 PolarHBondContact O-ND2 3.32Å; I57-N59 PolarHBondContact O-N 3.3Å; I57-N59 VanDerWaalsContact O-N 3.09Å; N59-P61 WeakPolarHBondContact O-CD 3.5Å
60L96.5Very high97.2Very high5 Ų539.6 Ų39.63%0.02622%0.218CC..  trans-67.2124.7177.5-162.870.9000109.8L34 L47 I57 A58 L63 V82 L83 K86 C87L34-L60 HydrophobicContact CD1-CB 4.18Å; L34-L60 HydrophobicContact CD1-CD1 3.49Å; L34-L60 VanDerWaalsContact CD1-CD1 3.49Å; L34-L60 HydrophobicContact CD1-CG 4.45Å; L47-L60 HydrophobicContact CD2-CD1 4.18Å; I57-L60 WeakPolarHBondContact O-CB 3.47Å; I57-L60 PolarHBondContact O-N 3.13Å; A58-L60 VanDerWaalsContact C-N 3.28Å; A58-L60 PolarHBondContact O-N 3.25Å; L60-L63 HydrophobicContact CD1-CD1 4.19Å; L60-L63 HydrophobicContact CG-CD1 4.46Å; L60-V82 HydrophobicContact CB-CG1 4.15Å; L60-L83 HydrophobicContact CD2-CD2 3.85Å; L60-K86 HydrophobicContact CD2-CB 4.45Å; L60-C87 WeakPolarHBondContact CD2-SG 2.97Å
61P96.4Very high97.3Very high10 Ų1037.7 Ų37.77%0.06521%0.209CC..  trans-69171.9173.229.8-34.6000111.1L37 T38 D39 N59 L63 K86L37-P61 HydrophobicContact CB-CG 3.81Å; T38-P61 WeakPolarHBondContact O-CB 3.43Å; T38-P61 WeakPolarHBondContact O-CG 3.37Å; D39-P61 WeakPolarHBondContact OD1-CA 3.42Å; D39-P61 WeakPolarHBondContact OD1-CB 3.46Å; N59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-L63 HydrophobicContact CG-CD1 4.27Å; P61-L63 HydrophobicContact CG-CD2 4.06Å; P61-L63 HydrophobicContact CG-CG 4.06Å; P61-L63 PolarHBondContact O-N 2.84Å; P61-K86 WeakPolarHBondContact O-CB 3.5Å
62K96.8Very high97.3Very high105 Ų10534.3 Ų34.346%0.45719%0.192SC..  trans-74114.1174.2-171.7176.5-177.5-1780108.9D39 N64 K86D39-K62 PolarHBondContact OD1-N 3.36Å; K62-N64 WeakPolarHBondContact CE-OD1 2.93Å; K62-N64 WeakPolarHBondContact CG-OD1 3.49Å; K62-K86 HydrophobicContact CB-CD 4.25Å
63L97.5Very high97.3Very high1 Ų138.5 Ų38.51%0.00521%0.214CC..  trans-123.781.4-177.8-59.5171.5000108.9F41 L44 L47 L60 P61 K65 L66 K86F41-L63 HydrophobicContact CB-CD2 3.87Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.23Å; L47-L63 HydrophobicContact CD2-CD1 4.35Å; L60-L63 HydrophobicContact CD1-CD1 4.19Å; L60-L63 HydrophobicContact CG-CD1 4.46Å; P61-L63 HydrophobicContact CG-CD1 4.27Å; P61-L63 HydrophobicContact CG-CD2 4.06Å; P61-L63 HydrophobicContact CG-CG 4.06Å; P61-L63 PolarHBondContact O-N 2.84Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 2.81Å; L63-L66 HydrophobicContact CB-CB 3.82Å; L63-L66 HydrophobicContact CB-CD2 4.43Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-L66 WeakPolarHBondContact O-CB 3.32Å; L63-L66 PolarHBondContact O-N 3.32Å; L63-K86 CarbonylContact C-O 3.53Å; L63-K86 PolarHBondContact N-O 3.2Å
64N96Very high97.3Very high70 Ų7037.2 Ų37.237%0.37420%0.199SC..THydrogen-bonded Turntrans-68.1-29-171.7-61.8-44.3000113.2K62 N89K62-N64 WeakPolarHBondContact CE-OD1 2.93Å; K62-N64 WeakPolarHBondContact CG-OD1 3.49Å; N64-N89 WeakPolarHBondContact O-CB 3.5Å; N64-N89 PolarHBondContact O-ND2 3.38Å
65K97.8Very high97.3Very high90 Ų9045.4 Ų45.439%0.39123%0.23SC..THydrogen-bonded Turntrans-89.1-3.4179.8-69.8-174.1166.4178.30113.4E42 E43 L44 E45 L63 K67E42-K65 WeakPolarHBondContact O-CD 3.38Å; E43-K65 IonicContact OE1-NZ 2.6Å; E43-K65 PolarHBondContact OE1-NZ 3.42Å; E43-K65 WeakPolarHBondContact OE2-CD 3.41Å; E43-K65 IonicContact OE2-NZ 2.7Å; E43-K65 PolarHBondContact OE2-NZ 2.79Å; L44-K65 CarbonylContact O-C 3.59Å; E45-K65 WeakPolarHBondContact CA-O 3.34Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 2.81Å; K65-K67 PolarHBondContact O-N 2.98Å; K65-K67 VanDerWaalsContact O-N 3.17Å
66L98.3Very high97.3Very high0 Ų042.2 Ų42.20%021%0.21CC..  trans-66.8116.8-177.1-167.775.7000110.8L44 L47 L63 L69 C87 N89 L90L44-L66 HydrophobicContact CD2-CD1 4.31Å; L44-L66 HydrophobicContact CG-CD1 4.16Å; L44-L66 WeakPolarHBondContact O-CA 3.5Å; L44-L66 PolarHBondContact O-N 2.93Å; L47-L66 HydrophobicContact CB-CD1 3.73Å; L63-L66 HydrophobicContact CB-CB 3.82Å; L63-L66 HydrophobicContact CB-CD2 4.43Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-L66 WeakPolarHBondContact O-CB 3.32Å; L63-L66 PolarHBondContact O-N 3.32Å; L66-L69 HydrophobicContact CD2-CB 4.22Å; L66-L69 HydrophobicContact CD2-CD1 4.43Å; L66-L69 HydrophobicContact CD2-CD2 4.49Å; L66-C87 HydrophobicContact CD2-CB 4.33Å; L66-N89 CarbonylContact O-C 3.58Å; L66-L90 HydrophobicContact CD2-CD1 4.14Å; L66-L90 HydrophobicContact CG-CD1 4.18Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3.07Å
67K98.1Very high97.4Very high67 Ų6743.8 Ų43.829%0.29122%0.222SC..  trans-103.1-33.2-179.6-72.4167.2-178.5163.10112E45 K65 T91 H92 Y163E45-K67 PolarHBondContact O-N 2.88Å; E45-K67 IonicContact OE1-NZ 2.78Å; E45-K67 PolarHBondContact OE1-NZ 2.97Å; K65-K67 PolarHBondContact O-N 2.98Å; K65-K67 VanDerWaalsContact O-N 3.17Å; K67-T91 PolarHBondContact O-N 3.23Å; K67-T91 PolarHBondContact O-OG1 3.47Å; K67-H92 PolarHBondContact O-N 3.01Å; K67-Y163 HydrophobicContact CD-CD1 3.93Å; K67-Y163 HydrophobicContact CD-CE1 3.96Å
68K98.3Very high97.3Very high38 Ų3844.8 Ų44.817%0.16523%0.232CC..EExtended strand (participates in β ladder)trans-133.2130.1-176.8-179.3164.3-177.8175.40111.9E45 F46 L47 E70 H92 S158E45-K68 PolarHBondContact O-N 3.06Å; F46-K68 WeakPolarHBondContact CA-O 3.33Å; F46-K68 HydrophobicContact CD2-CB 3.8Å; F46-K68 HydrophobicContact CD2-CD 3.75Å; F46-K68 HydrophobicContact CD2-CG 3.63Å; F46-K68 HydrophobicContact CE2-CB 4.46Å; F46-K68 HydrophobicContact CE2-CD 3.73Å; F46-K68 HydrophobicContact CE2-CG 3.78Å; L47-K68 PolarHBondContact N-O 2.92Å; K68-E70 WeakPolarHBondContact CE-OE1 3.33Å; K68-E70 IonicContact NZ-OE1 3.18Å; K68-H92 WeakPolarHBondContact CA-O 3.48Å; K68-H92 HydrophobicContact CB-CB 4.02Å; K68-H92 HydrophobicContact CD-CB 4.12Å; K68-H92 HydrophobicContact CG-CB 3.8Å; K68-S158 PolarHBondContact NZ-OG 3.2Å
69L98.4Very high97.3Very high3 Ų343.2 Ų43.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-130.2116.3-178.3179.257.5000111L47 L66 L71 L83 L90 H92 L93 N94L47-L69 HydrophobicContact CB-CD1 3.99Å; L47-L69 HydrophobicContact CD2-CD1 3.88Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.5Å; L66-L69 HydrophobicContact CD2-CB 4.22Å; L66-L69 HydrophobicContact CD2-CD1 4.43Å; L66-L69 HydrophobicContact CD2-CD2 4.49Å; L69-L71 HydrophobicContact CD1-CG 4.16Å; L69-L71 HydrophobicContact CD2-CD1 3.77Å; L69-L71 HydrophobicContact CD2-CG 4.31Å; L69-L71 HydrophobicContact CG-CD1 3.94Å; L69-L71 HydrophobicContact CG-CG 3.97Å; L69-L83 HydrophobicContact CD2-CD2 3.62Å; L69-L90 HydrophobicContact CB-CD1 3.7Å; L69-L90 HydrophobicContact CB-CD2 4.31Å; L69-H92 PolarHBondContact N-O 3.07Å; L69-L93 HydrophobicContact CB-CD1 4.18Å; L69-L93 HydrophobicContact CD2-CD1 4.09Å; L69-L93 HydrophobicContact CG-CD1 4.15Å; L69-N94 PolarHBondContact O-N 3.06Å
70E98.4Very high97.4Very high28 Ų2839.2 Ų39.213%0.13120%0.2CC..EExtended strand (participates in β ladder)trans-102.6113.1176-59.1-73.5157.600110.1F46 L47 T49 I50 K68 N94F46-E70 HydrophobicContact CE2-CG 4.08Å; F46-E70 HydrophobicContact CZ-CG 4.13Å; L47-E70 PolarHBondContact O-N 2.99Å; T49-E70 PolarHBondContact N-O 2.92Å; T49-E70 PolarHBondContact OG1-O 3.04Å; T49-E70 VanDerWaalsContact OG1-O 3.09Å; I50-E70 HydrophobicContact CD1-CB 4.25Å; I50-E70 HydrophobicContact CG1-CB 4.12Å; K68-E70 WeakPolarHBondContact CE-OE1 3.33Å; K68-E70 IonicContact NZ-OE1 3.18Å; E70-N94 WeakPolarHBondContact OE2-CB 3.24Å; E70-N94 VanDerWaalsContact OE2-CG 3.28Å; E70-N94 PolarHBondContact OE2-ND2 3.07Å
71L98.2Very high97.4Very high2 Ų243.1 Ų43.11%0.0122%0.219CC..  trans-118.717.9179.2-73.6164.1000112T49 L54 I57 L69 N74 L93 N94 L95 N98T49-L71 VanDerWaalsContact OG1-CD2 3.26Å; T49-L71 WeakPolarHBondContact OG1-CD2 3.36Å; L54-L71 HydrophobicContact CD1-CD2 3.89Å; I57-L71 HydrophobicContact CG2-CD1 3.96Å; I57-L71 HydrophobicContact CG2-CD2 3.93Å; L69-L71 HydrophobicContact CD1-CG 4.16Å; L69-L71 HydrophobicContact CD2-CD1 3.77Å; L69-L71 HydrophobicContact CD2-CG 4.31Å; L69-L71 HydrophobicContact CG-CD1 3.94Å; L69-L71 HydrophobicContact CG-CG 3.97Å; L71-N74 PolarHBondContact O-ND2 3.2Å; L71-L93 HydrophobicContact CD1-CD1 4.18Å; L71-N94 WeakPolarHBondContact CA-O 3.14Å; L71-N94 WeakPolarHBondContact CB-O 3.35Å; L71-N94 PolarHBondContact N-O 2.81Å; L71-L95 HydrophobicContact CB-CD2 4.06Å; L71-L95 HydrophobicContact CD1-CD2 3.87Å; L71-N98 PolarHBondContact O-ND2 2.77Å
72S97.9Very high97.4Very high11 Ų1143.8 Ų43.88%0.07722%0.222CC..THydrogen-bonded Turntrans-62.7155.3-174.259.20000113.3I50 N51 N74 S96I50-S72 WeakPolarHBondContact CA-O 3.33Å; I50-S72 WeakPolarHBondContact CD1-OG 3.41Å; I50-S72 VanDerWaalsContact CG1-OG 3.26Å; I50-S72 WeakPolarHBondContact CG1-OG 3.49Å; I50-S72 WeakPolarHBondContact CG2-OG 3.37Å; N51-S72 PolarHBondContact N-O 2.91Å; N51-S72 VanDerWaalsContact N-O 3.08Å; S72-N74 PolarHBondContact O-N 3.47Å; S72-N74 PolarHBondContact O-ND2 3.12Å; S72-S96 CarbonylContact C-O 3.39Å; S72-S96 WeakPolarHBondContact CA-O 3.48Å; S72-S96 WeakPolarHBondContact CB-OG 3.26Å
73D97.7Very high97.5Very high93 Ų9338.8 Ų38.850%0.49720%0.2SC..THydrogen-bonded Turntrans55.634.3-179.6-71.6-25000114.7I50 N51 S96I50-D73 HydrophobicContact CG2-CB 4.33Å; N51-D73 WeakPolarHBondContact CA-O 3.29Å; N51-D73 HydrophobicContact CB-CB 3.97Å; D73-S96 PolarHBondContact N-O 2.88Å
74N98.1Very high97.3Very high6 Ų639.9 Ų39.93%0.03221%0.21CC..SBendtrans-105.3-163.1169.6-73.2-66.6000111.3T49 V52 G53 L54 L71 S72 V76 N98T49-N74 PolarHBondContact O-ND2 2.96Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.12Å; V52-N74 PolarHBondContact N-OD1 3.43Å; G53-N74 PolarHBondContact N-OD1 3.17Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.14Å; L71-N74 PolarHBondContact O-ND2 3.2Å; S72-N74 PolarHBondContact O-N 3.47Å; S72-N74 PolarHBondContact O-ND2 3.12Å; N74-V76 HydrophobicContact CB-CG2 4.37Å; N74-N98 WeakPolarHBondContact CA-OD1 3.49Å; N74-N98 WeakPolarHBondContact CB-OD1 3.31Å
75R97.8Very high97.3Very high171 Ų17142.8 Ų42.865%0.64522%0.221SC*.  trans-129.225.9-179-57.6-179.7-175.7-173.61.6111.9L54 T55 S77 N98 K99L54-R75 CarbonylContact O-C 3.49Å; L54-R75 WeakPolarHBondContact O-CA 3.42Å; L54-R75 WeakPolarHBondContact O-CB 3.49Å; L54-R75 PolarHBondContact O-N 2.95Å; T55-R75 HydrophobicContact CG2-CB 4.25Å; R75-S77 PolarHBondContact O-N 2.79Å; R75-N98 PolarHBondContact N-OD1 2.95Å; R75-K99 HydrophobicContact CB-CG 4.5Å
76V97.8Very high97.2Very high0 Ų041.7 Ų41.70%022%0.216CC..  trans-62.5131177.6-179.20000108.8L54 I57 N74 L80 N98 K99L54-V76 HydrophobicContact CB-CG2 4.38Å; I57-V76 HydrophobicContact CG2-CG2 4.11Å; N74-V76 HydrophobicContact CB-CG2 4.37Å; V76-L80 HydrophobicContact CG1-CD2 4.27Å; V76-N98 HydrophobicContact CB-CB 4.43Å; V76-N98 WeakPolarHBondContact CB-OD1 3.37Å; V76-N98 PolarHBondContact N-OD1 2.78Å; V76-N98 WeakPolarHBondContact O-CB 3.34Å; V76-K99 CarbonylContact O-C 3.19Å; V76-K99 WeakPolarHBondContact O-CA 3.29Å; V76-K99 PolarHBondContact O-N 3.13Å
77S96.7Very high97.2Very high74 Ų7441.7 Ų41.752%0.51722%0.216SC..  trans-125.45.5-178.165.90000113.9R75 T105R75-S77 PolarHBondContact O-N 2.79Å; S77-T105 WeakPolarHBondContact O-CG2 3.29Å
78G95.4Very high97.1Very high22 Ų2241 Ų4123%0.22722%0.218CC..SBendtrans163.7-164.7-176.500000112L80G78-L80 VanDerWaalsContact C-N 3.32Å
79G95.9Very high97.1Very high27 Ų2742.6 Ų42.628%0.27823%0.229SC..  trans73.324.8-17700000113.4E81G79-E81 VanDerWaalsContact CA-OE2 3.24Å; G79-E81 WeakPolarHBondContact CA-OE2 3.35Å; G79-E81 PolarHBondContact O-N 2.76Å
80L97.1Very high97.1Very high0 Ų042.4 Ų42.40%023%0.228CC..THydrogen-bonded Turntrans-74.8-13.7-176.9-60.6-171.8000112.9I57 V76 G78 V82 L83 L95 T105 I106 L109I57-L80 HydrophobicContact CD1-CD2 3.89Å; V76-L80 HydrophobicContact CG1-CD2 4.27Å; G78-L80 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 2.84Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 WeakPolarHBondContact O-CB 3.22Å; L80-L83 PolarHBondContact O-N 2.95Å; L80-L83 VanDerWaalsContact O-N 3.07Å; L80-L95 HydrophobicContact CD1-CD1 3.81Å; L80-L95 HydrophobicContact CD2-CD1 4.25Å; L80-L95 HydrophobicContact CD2-CD2 4.42Å; L80-T105 WeakPolarHBondContact CD1-O 3.31Å; L80-I106 HydrophobicContact CD1-CG2 4.11Å; L80-L109 HydrophobicContact CB-CD2 3.96Å; L80-L109 HydrophobicContact CB-CG 4.49Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.2Å; L80-L109 HydrophobicContact CD1-CG 4.21Å
81E96.5Very high97.1Very high88 Ų8842.5 Ų42.541%0.41123%0.231SC..Hα-helixtrans-57.3-28.8172.860.4-86-161.400113.2G79 L83 A84 P108G79-E81 VanDerWaalsContact CA-OE2 3.24Å; G79-E81 WeakPolarHBondContact CA-OE2 3.35Å; G79-E81 PolarHBondContact O-N 2.76Å; E81-L83 PolarHBondContact O-N 2.74Å; E81-A84 PolarHBondContact O-N 2.84Å; E81-P108 HydrophobicContact CB-CB 3.92Å; E81-P108 HydrophobicContact CB-CG 4.35Å
82V97.1Very high97.1Very high23 Ų2345 Ų4514%0.13924%0.242CC..Hα-helixtrans-59.6-33.4175.4159.90000111.8L60 L80 A84 E85 K86L60-V82 HydrophobicContact CB-CG1 4.15Å; L80-V82 PolarHBondContact O-N 2.84Å; V82-A84 VanDerWaalsContact C-N 3.29Å; V82-A84 PolarHBondContact O-N 3.15Å; V82-E85 PolarHBondContact O-N 3.4Å; V82-E85 VanDerWaalsContact O-N 3.15Å; V82-K86 HydrophobicContact CG1-CB 4.41Å; V82-K86 HydrophobicContact CG1-CG 3.82Å; V82-K86 VanDerWaalsContact O-CB 3.3Å; V82-K86 WeakPolarHBondContact O-CB 3.35Å; V82-K86 WeakPolarHBondContact O-CG 3.34Å; V82-K86 PolarHBondContact O-N 3.2Å
83L97.7Very high97.1Very high0 Ų044.8 Ų44.80%024%0.24CC..Hα-helixtrans-62.9-39179.9-63.1174.7000111.3I57 L60 L69 L80 E81 E85 K86 C87 L93 L109 L112I57-L83 HydrophobicContact CD1-CD1 4.03Å; I57-L83 HydrophobicContact CD1-CD2 3.72Å; I57-L83 HydrophobicContact CD1-CG 3.64Å; L60-L83 HydrophobicContact CD2-CD2 3.85Å; L69-L83 HydrophobicContact CD2-CD2 3.62Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 WeakPolarHBondContact O-CB 3.22Å; L80-L83 PolarHBondContact O-N 2.95Å; L80-L83 VanDerWaalsContact O-N 3.07Å; E81-L83 PolarHBondContact O-N 2.74Å; L83-E85 VanDerWaalsContact C-N 3.28Å; L83-E85 PolarHBondContact O-N 3.29Å; L83-K86 PolarHBondContact O-N 3.06Å; L83-C87 CarbonylContact O-C 3.52Å; L83-C87 WeakPolarHBondContact O-CA 3.38Å; L83-C87 PolarHBondContact O-N 3.13Å; L83-L93 HydrophobicContact CD1-CD1 4.26Å; L83-L93 HydrophobicContact CD1-CD2 3.69Å; L83-L109 HydrophobicContact CD1-CD2 3.85Å; L83-L112 HydrophobicContact CB-CD1 4.09Å
84A94.8Very high97.1Very high24 Ų2441.4 Ų41.420%0.19822%0.222CC..Hα-helixtrans-66.3-31.3177.500000112.7E81 V82 K111 L112E81-A84 PolarHBondContact O-N 2.84Å; V82-A84 VanDerWaalsContact C-N 3.29Å; V82-A84 PolarHBondContact O-N 3.15Å; A84-K111 HydrophobicContact CB-CB 3.7Å; A84-K111 HydrophobicContact CB-CD 4.07Å; A84-L112 HydrophobicContact CB-CD2 4.37Å
85E95Very high97.1Very high132 Ų13241.1 Ų41.162%0.61722%0.22SC*.Hα-helixtrans-83.7-33.2180-64.1179.8-177.900112.9V82 L83V82-E85 PolarHBondContact O-N 3.4Å; V82-E85 VanDerWaalsContact O-N 3.15Å; L83-E85 VanDerWaalsContact C-N 3.28Å; L83-E85 PolarHBondContact O-N 3.29Å
86K96.9Very high97.1Very high67 Ų6733.7 Ų33.729%0.29120%0.195SC..Hα-helixtrans-105.4-28.1-169-63-60-171.5173.80114.2L60 P61 K62 L63 V82 L83L60-K86 HydrophobicContact CD2-CB 4.45Å; P61-K86 WeakPolarHBondContact O-CB 3.5Å; K62-K86 HydrophobicContact CB-CD 4.25Å; L63-K86 CarbonylContact C-O 3.53Å; L63-K86 PolarHBondContact N-O 3.2Å; V82-K86 HydrophobicContact CG1-CB 4.41Å; V82-K86 HydrophobicContact CG1-CG 3.82Å; V82-K86 VanDerWaalsContact O-CB 3.3Å; V82-K86 WeakPolarHBondContact O-CB 3.35Å; V82-K86 WeakPolarHBondContact O-CG 3.34Å; V82-K86 PolarHBondContact O-N 3.2Å; L83-K86 PolarHBondContact O-N 3.06Å
87C97.4Very high97.1Very high0 Ų034.5 Ų34.50%020%0.203CC..  trans-133.161.9-175.2-56.40000110.8L60 L66 L83 N89 L90 L112L60-C87 WeakPolarHBondContact CD2-SG 2.97Å; L66-C87 HydrophobicContact CD2-CB 4.33Å; L83-C87 CarbonylContact O-C 3.52Å; L83-C87 WeakPolarHBondContact O-CA 3.38Å; L83-C87 PolarHBondContact O-N 3.13Å; C87-N89 PolarHBondContact O-N 3.14Å; C87-N89 VanDerWaalsContact O-N 3.17Å; C87-L90 HydrophobicContact CB-CB 4.26Å; C87-L90 WeakPolarHBondContact O-CB 3.42Å; C87-L90 PolarHBondContact O-N 3.12Å; C87-L112 WeakPolarHBondContact O-CD2 3.46Å
88P96.3Very high97.2Very high51 Ų5131.1 Ų31.133%0.33118%0.179SC..THydrogen-bonded Turntrans-64.2-22.4-172.726.4-35.8000114.2
89N97.3Very high97.3Very high72 Ų7234.9 Ų34.939%0.38519%0.189SC..THydrogen-bonded Turntrans-96.415.1-179.5-64.2-40.7000113.8N64 L66 C87 T91 N114N64-N89 WeakPolarHBondContact O-CB 3.5Å; N64-N89 PolarHBondContact O-ND2 3.38Å; L66-N89 CarbonylContact O-C 3.58Å; C87-N89 PolarHBondContact O-N 3.14Å; C87-N89 VanDerWaalsContact O-N 3.17Å; N89-T91 PolarHBondContact O-N 2.99Å; N89-N114 PolarHBondContact OD1-ND2 3.15Å
90L98.2Very high97.4Very high0 Ų033.6 Ų33.60%018%0.176CC..  trans-66.3126.8-179.6-165.872000110.9L66 L69 C87 L93 L112 N114 L115L66-L90 HydrophobicContact CD2-CD1 4.14Å; L66-L90 HydrophobicContact CG-CD1 4.18Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3.07Å; L69-L90 HydrophobicContact CB-CD1 3.7Å; L69-L90 HydrophobicContact CB-CD2 4.31Å; C87-L90 HydrophobicContact CB-CB 4.26Å; C87-L90 WeakPolarHBondContact O-CB 3.42Å; C87-L90 PolarHBondContact O-N 3.12Å; L90-L93 HydrophobicContact CD2-CB 4.08Å; L90-L93 HydrophobicContact CD2-CD1 4.24Å; L90-L93 HydrophobicContact CD2-CD2 4.49Å; L90-L112 HydrophobicContact CD2-CD1 4.32Å; L90-N114 CarbonylContact O-C 3.58Å; L90-L115 WeakPolarHBondContact O-CA 3.24Å; L90-L115 PolarHBondContact O-N 3.09Å
91T98.2Very high97.4Very high30 Ų3039.1 Ų39.118%0.18420%0.2CC..  trans-110.6-30.8-178.562.10000112.9K67 N89 N114 K116 S117K67-T91 PolarHBondContact O-N 3.23Å; K67-T91 PolarHBondContact O-OG1 3.47Å; N89-T91 PolarHBondContact O-N 2.99Å; T91-N114 WeakPolarHBondContact CA-O 3.42Å; T91-N114 HydrophobicContact CG2-CB 4.38Å; T91-K116 PolarHBondContact O-N 3.36Å; T91-S117 PolarHBondContact O-N 2.97Å
92H98.3Very high97.3Very high55 Ų5538 Ų3826%0.25520%0.197SC..EExtended strand (participates in β ladder)trans-129125-177.7-66.277.5000110.1K67 K68 L69 S117K67-H92 PolarHBondContact O-N 3.01Å; K68-H92 WeakPolarHBondContact CA-O 3.48Å; K68-H92 HydrophobicContact CB-CB 4.02Å; K68-H92 HydrophobicContact CD-CB 4.12Å; K68-H92 HydrophobicContact CG-CB 3.8Å; L69-H92 PolarHBondContact N-O 3.07Å; H92-S117 WeakPolarHBondContact CA-O 3.41Å; H92-S117 VanDerWaalsContact CD2-CB 3.43Å; H92-S117 WeakPolarHBondContact CD2-CB 3.16Å
93L98.4Very high97.3Very high5 Ų538.9 Ų38.93%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-131.6122.4178.4177.159.6000110.6L69 L71 L83 L90 L95 L109 L115 S117 L118 D119L69-L93 HydrophobicContact CB-CD1 4.18Å; L69-L93 HydrophobicContact CD2-CD1 4.09Å; L69-L93 HydrophobicContact CG-CD1 4.15Å; L71-L93 HydrophobicContact CD1-CD1 4.18Å; L83-L93 HydrophobicContact CD1-CD1 4.26Å; L83-L93 HydrophobicContact CD1-CD2 3.69Å; L90-L93 HydrophobicContact CD2-CB 4.08Å; L90-L93 HydrophobicContact CD2-CD1 4.24Å; L90-L93 HydrophobicContact CD2-CD2 4.49Å; L93-L95 HydrophobicContact CD1-CD2 4.47Å; L93-L95 HydrophobicContact CD1-CG 4.17Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.25Å; L93-L95 HydrophobicContact CG-CD1 4.2Å; L93-L95 HydrophobicContact CG-CG 4.03Å; L93-L109 HydrophobicContact CD2-CD1 3.99Å; L93-L109 HydrophobicContact CD2-CD2 3.89Å; L93-L115 HydrophobicContact CB-CD1 3.87Å; L93-S117 PolarHBondContact N-O 3.07Å; L93-L118 HydrophobicContact CB-CD1 4.15Å; L93-L118 HydrophobicContact CD2-CD1 3.99Å; L93-L118 HydrophobicContact CG-CD1 4.02Å; L93-L118 WeakPolarHBondContact O-CA 3.28Å; L93-D119 PolarHBondContact O-N 2.97Å
94N98.3Very high97.3Very high22 Ų2242.5 Ų42.512%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-110116.2173-165.6-22.2000111.1L69 E70 L71 S96 D119L69-N94 PolarHBondContact O-N 3.06Å; E70-N94 WeakPolarHBondContact OE2-CB 3.24Å; E70-N94 VanDerWaalsContact OE2-CG 3.28Å; E70-N94 PolarHBondContact OE2-ND2 3.07Å; L71-N94 WeakPolarHBondContact CA-O 3.14Å; L71-N94 WeakPolarHBondContact CB-O 3.35Å; L71-N94 PolarHBondContact N-O 2.81Å; N94-S96 VanDerWaalsContact OD1-CB 3.22Å; N94-S96 WeakPolarHBondContact OD1-CB 3.25Å; N94-S96 PolarHBondContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.89Å; N94-D119 HydrophobicContact CB-CB 4.3Å; N94-D119 PolarHBondContact ND2-OD2 3.43Å
95L98.4Very high97.4Very high0 Ų042.4 Ų42.40%022%0.222CC..  trans-115.413.7176.8-72.9170.4000111.7L71 L80 L93 N98 L118 D119 L120 C123L71-L95 HydrophobicContact CB-CD2 4.06Å; L71-L95 HydrophobicContact CD1-CD2 3.87Å; L80-L95 HydrophobicContact CD1-CD1 3.81Å; L80-L95 HydrophobicContact CD2-CD1 4.25Å; L80-L95 HydrophobicContact CD2-CD2 4.42Å; L93-L95 HydrophobicContact CD1-CD2 4.47Å; L93-L95 HydrophobicContact CD1-CG 4.17Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.25Å; L93-L95 HydrophobicContact CG-CD1 4.2Å; L93-L95 HydrophobicContact CG-CG 4.03Å; L95-N98 VanDerWaalsContact O-CB 3.24Å; L95-N98 WeakPolarHBondContact O-CB 3.42Å; L95-N98 PolarHBondContact O-N 2.97Å; L95-N98 PolarHBondContact O-ND2 2.97Å; L95-L118 HydrophobicContact CD1-CD1 4.36Å; L95-D119 CarbonylContact C-O 3.36Å; L95-D119 WeakPolarHBondContact CA-O 3.15Å; L95-D119 PolarHBondContact N-O 3.29Å; L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.15Å; L95-C123 PolarHBondContact O-SG 2.89Å
96S98.1Very high97.5Very high16 Ų1636.1 Ų36.111%0.11219%0.193CC..THydrogen-bonded Turntrans-54.3143.3-17961.10000112.8S72 D73 N94 N98 D119 F121S72-S96 CarbonylContact C-O 3.39Å; S72-S96 WeakPolarHBondContact CA-O 3.48Å; S72-S96 WeakPolarHBondContact CB-OG 3.26Å; D73-S96 PolarHBondContact N-O 2.88Å; N94-S96 VanDerWaalsContact OD1-CB 3.22Å; N94-S96 WeakPolarHBondContact OD1-CB 3.25Å; N94-S96 PolarHBondContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.89Å; S96-N98 PolarHBondContact O-N 3.39Å; S96-N98 PolarHBondContact O-ND2 2.68Å; S96-D119 PolarHBondContact N-O 2.9Å; S96-F121 CarbonylContact C-O 3.53Å; S96-F121 WeakPolarHBondContact CA-O 3.3Å; S96-F121 WeakPolarHBondContact CB-O 3.43Å
97G97.8Very high97.5Very high16 Ų1636.8 Ų36.817%0.16520%0.197CC..THydrogen-bonded Turntrans70.97-17900000116F121G97-F121 PolarHBondContact N-O 2.94Å
98N98.5Very high97.5Very high3 Ų338 Ų382%0.01621%0.205CC..SBendtrans-84.8-175.5175.1-77.7-82.5000113L71 N74 R75 V76 L95 S96 I100L71-N98 PolarHBondContact O-ND2 2.77Å; N74-N98 WeakPolarHBondContact CA-OD1 3.49Å; N74-N98 WeakPolarHBondContact CB-OD1 3.31Å; R75-N98 PolarHBondContact N-OD1 2.95Å; V76-N98 HydrophobicContact CB-CB 4.43Å; V76-N98 WeakPolarHBondContact CB-OD1 3.37Å; V76-N98 PolarHBondContact N-OD1 2.78Å; V76-N98 WeakPolarHBondContact O-CB 3.34Å; L95-N98 VanDerWaalsContact O-CB 3.24Å; L95-N98 WeakPolarHBondContact O-CB 3.42Å; L95-N98 PolarHBondContact O-N 2.97Å; L95-N98 PolarHBondContact O-ND2 2.97Å; S96-N98 PolarHBondContact O-N 3.39Å; S96-N98 PolarHBondContact O-ND2 2.68Å; N98-I100 HydrophobicContact CB-CG1 4.25Å
99K97.4Very high97.5Very high101 Ų10135.7 Ų35.744%0.43919%0.19SC..  trans-101.242.7-177.1-64.1-55.4-176.3-1690112.7R75 V76 K101R75-K99 HydrophobicContact CB-CG 4.5Å; V76-K99 CarbonylContact O-C 3.19Å; V76-K99 WeakPolarHBondContact O-CA 3.29Å; V76-K99 PolarHBondContact O-N 3.13Å; K99-K101 PolarHBondContact O-N 3.29Å
100I97.9Very high97.5Very high0 Ų036.8 Ų36.80%019%0.191CC..  trans-80.7114.5176.2-48.5-55.7000109N98 T105 I106 L120 C123 E124 V125N98-I100 HydrophobicContact CB-CG1 4.25Å; I100-T105 HydrophobicContact CD1-CG2 3.84Å; I100-T105 HydrophobicContact CG2-CG2 4.1Å; I100-I106 HydrophobicContact CG2-CG2 3.78Å; I100-L120 HydrophobicContact CG1-CD2 4.33Å; I100-L120 HydrophobicContact CG2-CD2 4.43Å; I100-C123 HydrophobicContact CB-CB 4.04Å; I100-E124 PolarHBondContact O-N 2.78Å; I100-E124 VanDerWaalsContact O-N 3.1Å; I100-V125 HydrophobicContact CB-CG1 4.36Å; I100-V125 HydrophobicContact CG2-CB 4.25Å; I100-V125 HydrophobicContact CG2-CG1 4.01Å; I100-V125 PolarHBondContact O-N 3.35Å
101K95.9Very high97.4Very high116 Ų11643.1 Ų43.150%0.50422%0.219SC..  trans-103.3-34.2-170.8-60.6-165.9176.3-167.70114.6K99 E124K99-K101 PolarHBondContact O-N 3.29Å; K101-E124 HydrophobicContact CB-CB 4.48Å; K101-E124 WeakPolarHBondContact CD-OE2 3.24Å; K101-E124 WeakPolarHBondContact CE-OE1 3.48Å; K101-E124 WeakPolarHBondContact CE-OE2 3.46Å; K101-E124 HydrophobicContact CG-CB 4.24Å; K101-E124 IonicContact NZ-OE2 2.74Å
102D96Very high97.4Very high65 Ų6541.7 Ų41.735%0.34821%0.21SC..SBendtrans-139.6164.9-172.558.557.2000111.3S104 T105D102-S104 PolarHBondContact O-N 3.45Å; D102-S104 WeakPolarHBondContact OD1-CA 3.41Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.45Å; D102-S104 PolarHBondContact OD1-OG 3.43Å; D102-T105 WeakPolarHBondContact O-CB 3.23Å; D102-T105 PolarHBondContact O-N 2.83Å; D102-T105 PolarHBondContact O-OG1 3.01Å; D102-T105 PolarHBondContact OD1-N 2.93Å; D102-T105 PolarHBondContact OD1-OG1 3.22Å
103L96.9Very high97.3Very high42 Ų4246.9 Ų46.922%0.2223%0.234CC..Hα-helixtrans-68.2-23.4179-63.1174.3000112.8T105 I106 E107 V125 L128 N134 V135 L138L103-T105 PolarHBondContact O-N 2.86Å; L103-I106 HydrophobicContact CD2-CD1 4Å; L103-I106 WeakPolarHBondContact O-CG1 3.35Å; L103-I106 PolarHBondContact O-N 2.99Å; L103-E107 PolarHBondContact O-N 2.79Å; L103-E107 VanDerWaalsContact O-N 3.11Å; L103-V125 HydrophobicContact CD2-CG2 3.9Å; L103-V125 HydrophobicContact CG-CG2 4.42Å; L103-L128 HydrophobicContact CG-CD1 4.18Å; L103-N134 HydrophobicContact CD1-CB 3.6Å; L103-V135 HydrophobicContact CD2-CG2 3.69Å; L103-L138 HydrophobicContact CB-CD2 4.23Å; L103-L138 WeakPolarHBondContact O-CD2 3.33Å
104S96.7Very high97.3Very high76 Ų7650.1 Ų50.153%0.53125%0.252SS..Hα-helixtrans-67.7-28.8178.875.20000111.9D102 I106 E107D102-S104 PolarHBondContact O-N 3.45Å; D102-S104 WeakPolarHBondContact OD1-CA 3.41Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 3.45Å; D102-S104 PolarHBondContact OD1-OG 3.43Å; S104-I106 VanDerWaalsContact C-N 3.28Å; S104-I106 PolarHBondContact O-N 3.06Å; S104-E107 WeakPolarHBondContact O-CB 3.13Å; S104-E107 PolarHBondContact O-N 3.19Å
105T96.4Very high97.3Very high21 Ų2149.1 Ų49.113%0.12925%0.247CC..Hα-helixtrans-63-35.2176.2-52.50000111.9S77 L80 I100 D102 L103S77-T105 WeakPolarHBondContact O-CG2 3.29Å; L80-T105 WeakPolarHBondContact CD1-O 3.31Å; I100-T105 HydrophobicContact CD1-CG2 3.84Å; I100-T105 HydrophobicContact CG2-CG2 4.1Å; D102-T105 WeakPolarHBondContact O-CB 3.23Å; D102-T105 PolarHBondContact O-N 2.83Å; D102-T105 PolarHBondContact O-OG1 3.01Å; D102-T105 PolarHBondContact OD1-N 2.93Å; D102-T105 PolarHBondContact OD1-OG1 3.22Å; L103-T105 PolarHBondContact O-N 2.86Å
106I97.3Very high97.2Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-96.6-7.7-179.362.6167.7000113.4L80 I100 L103 S104 P108 L109 L120 V135 L138L80-I106 HydrophobicContact CD1-CG2 4.11Å; I100-I106 HydrophobicContact CG2-CG2 3.78Å; L103-I106 HydrophobicContact CD2-CD1 4Å; L103-I106 WeakPolarHBondContact O-CG1 3.35Å; L103-I106 PolarHBondContact O-N 2.99Å; S104-I106 VanDerWaalsContact C-N 3.28Å; S104-I106 PolarHBondContact O-N 3.06Å; I106-P108 VanDerWaalsContact C-N 3.29Å; I106-L109 HydrophobicContact CB-CD1 4.05Å; I106-L109 HydrophobicContact CB-CG 4.5Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 VanDerWaalsContact O-CB 3.23Å; I106-L109 WeakPolarHBondContact O-CB 3.26Å; I106-L109 WeakPolarHBondContact O-CG 3.47Å; I106-L109 PolarHBondContact O-N 3.41Å; I106-L120 HydrophobicContact CD1-CD1 4.13Å; I106-L120 HydrophobicContact CG2-CD1 4.38Å; I106-L120 HydrophobicContact CG2-CD2 4.25Å; I106-V135 HydrophobicContact CD1-CG1 4.37Å; I106-V135 HydrophobicContact CD1-CG2 3.91Å; I106-L138 HydrophobicContact CD1-CD2 4.22Å; I106-L138 HydrophobicContact CG1-CD2 3.95Å
107E97.4Very high97.2Very high82 Ų8254.9 Ų54.938%0.38327%0.273SS..G310 helixtrans-52.2-39177.2-179.6178176.900113.6L103 S104 L109 K110 L138L103-E107 PolarHBondContact O-N 2.79Å; L103-E107 VanDerWaalsContact O-N 3.11Å; S104-E107 WeakPolarHBondContact O-CB 3.13Å; S104-E107 PolarHBondContact O-N 3.19Å; E107-L109 PolarHBondContact O-N 2.88Å; E107-L109 VanDerWaalsContact O-N 3.14Å; E107-K110 HydrophobicContact CG-CD 4.04Å; E107-K110 WeakPolarHBondContact O-CB 3.36Å; E107-K110 WeakPolarHBondContact O-CD 3.43Å; E107-K110 WeakPolarHBondContact O-CG 3.3Å; E107-K110 PolarHBondContact O-N 2.87Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 IonicContact OE1-NZ 3.81Å; E107-K110 PolarHBondContact OE1-NZ 2.63Å; E107-L138 HydrophobicContact CB-CD1 4.4Å; E107-L138 HydrophobicContact CB-CD2 4.41Å; E107-L138 HydrophobicContact CG-CD1 4.16Å
108P97Very high97.3Very high26 Ų2654.1 Ų54.117%0.16927%0.265CS..G310 helixtrans-58.7-25.6177.2-26.436.1000114.5E81 I106 K110 K111E81-P108 HydrophobicContact CB-CB 3.92Å; E81-P108 HydrophobicContact CB-CG 4.35Å; I106-P108 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 3.22Å; P108-K110 VanDerWaalsContact O-N 3.13Å; P108-K111 PolarHBondContact O-N 3.01Å
109L97.8Very high97.2Very high1 Ų155.9 Ų55.91%0.00527%0.274CS..G310 helixtrans-63.6-17.3179-57.3-177.5000112.6L80 L83 L93 I106 E107 K111 L112 L115 L118 L139 Q141L80-L109 HydrophobicContact CB-CD2 3.96Å; L80-L109 HydrophobicContact CB-CG 4.49Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.2Å; L80-L109 HydrophobicContact CD1-CG 4.21Å; L83-L109 HydrophobicContact CD1-CD2 3.85Å; L93-L109 HydrophobicContact CD2-CD1 3.99Å; L93-L109 HydrophobicContact CD2-CD2 3.89Å; I106-L109 HydrophobicContact CB-CD1 4.05Å; I106-L109 HydrophobicContact CB-CG 4.5Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 VanDerWaalsContact O-CB 3.23Å; I106-L109 WeakPolarHBondContact O-CB 3.26Å; I106-L109 WeakPolarHBondContact O-CG 3.47Å; I106-L109 PolarHBondContact O-N 3.41Å; E107-L109 PolarHBondContact O-N 2.88Å; E107-L109 VanDerWaalsContact O-N 3.14Å; L109-K111 PolarHBondContact O-N 3.24Å; L109-L112 HydrophobicContact CD2-CD1 3.9Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.32Å; L109-L115 HydrophobicContact CB-CD2 4.25Å; L109-L118 HydrophobicContact CD1-CD1 4.14Å; L109-L118 HydrophobicContact CD1-CD2 4.04Å; L109-L139 HydrophobicContact CB-CD1 4.3Å; L109-L139 HydrophobicContact CB-CD2 4.12Å; L109-Q141 PolarHBondContact O-NE2 3.36Å
110K97.1Very high97.3Very high95 Ų9551.1 Ų51.141%0.41325%0.253SS..G310 helixtrans-57.4-23.1174.776.9-168.5174.1-176.80113.4E107 P108 L112 L139 Q141E107-K110 HydrophobicContact CG-CD 4.04Å; E107-K110 WeakPolarHBondContact O-CB 3.36Å; E107-K110 WeakPolarHBondContact O-CD 3.43Å; E107-K110 WeakPolarHBondContact O-CG 3.3Å; E107-K110 PolarHBondContact O-N 2.87Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 IonicContact OE1-NZ 3.81Å; E107-K110 PolarHBondContact OE1-NZ 2.63Å; P108-K110 PolarHBondContact O-N 3.22Å; P108-K110 VanDerWaalsContact O-N 3.13Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L139 HydrophobicContact CB-CD2 3.84Å; K110-L139 VanDerWaalsContact N-CD2 3.34Å; K110-Q141 PolarHBondContact O-NE2 3.05Å
111K96.5Very high97.2Very high133 Ų13357.9 Ų57.958%0.57828%0.283SS*.G310 helixtrans-78.3-14.5177.5-63.8-179.5179.8179.10113.6A84 P108 L109 E113A84-K111 HydrophobicContact CB-CB 3.7Å; A84-K111 HydrophobicContact CB-CD 4.07Å; P108-K111 PolarHBondContact O-N 3.01Å; L109-K111 PolarHBondContact O-N 3.24Å; K111-E113 PolarHBondContact O-N 3.35Å
112L97.7Very high97.2Very high1 Ų157.9 Ų57.91%0.00529%0.288CS..  trans-83.787.8174.6-64.6170.9000108.2L83 A84 C87 L90 L109 K110 N114 L115 Q141L83-L112 HydrophobicContact CB-CD1 4.09Å; A84-L112 HydrophobicContact CB-CD2 4.37Å; C87-L112 WeakPolarHBondContact O-CD2 3.46Å; L90-L112 HydrophobicContact CD2-CD1 4.32Å; L109-L112 HydrophobicContact CD2-CD1 3.9Å; L109-L112 WeakPolarHBondContact O-CB 3.48Å; L109-L112 PolarHBondContact O-N 3.32Å; K110-L112 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.11Å; L112-L115 HydrophobicContact CB-CB 3.8Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CB 3.39Å; L112-L115 PolarHBondContact O-N 2.72Å; L112-Q141 PolarHBondContact O-NE2 3.38Å
113E96.6Very high97.3Very high163 Ų16354.9 Ų54.976%0.76227%0.273SS*.THydrogen-bonded Turntrans-63.9-28.1-175.3-62.7-178.2175.800112.4K111K111-E113 PolarHBondContact O-N 3.35Å
114N97.1Very high97.3Very high74 Ų7456.9 Ų56.940%0.39628%0.281SS..THydrogen-bonded Turntrans-86.7-2.8179.5-67.2-46.2000114.3N89 L90 T91 L112 K116N89-N114 PolarHBondContact OD1-ND2 3.15Å; L90-N114 CarbonylContact O-C 3.58Å; T91-N114 WeakPolarHBondContact CA-O 3.42Å; T91-N114 HydrophobicContact CG2-CB 4.38Å; L112-N114 PolarHBondContact O-N 3.11Å; N114-K116 PolarHBondContact O-N 3.41Å
115L98.2Very high97.3Very high1 Ų153.2 Ų53.21%0.00526%0.255CS..  trans-71.9111.1-175.7-17270.7000111.1L90 L93 L109 L112 Q141 L142L90-L115 WeakPolarHBondContact O-CA 3.24Å; L90-L115 PolarHBondContact O-N 3.09Å; L93-L115 HydrophobicContact CB-CD1 3.87Å; L109-L115 HydrophobicContact CB-CD2 4.25Å; L112-L115 HydrophobicContact CB-CB 3.8Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 WeakPolarHBondContact O-CB 3.39Å; L112-L115 PolarHBondContact O-N 2.72Å; L115-Q141 WeakPolarHBondContact O-CG 3.37Å; L115-L142 HydrophobicContact CD2-CD1 4.49Å; L115-L142 HydrophobicContact CG-CD1 4.28Å
116K97.7Very high97.3Very high115 Ų11554.4 Ų54.450%0.526%0.262SS..  trans-102.8-33.2-177-67.2179.3-177.4-179.90113.2T91 N114 L142 T143 Y144T91-K116 PolarHBondContact O-N 3.36Å; N114-K116 PolarHBondContact O-N 3.41Å; K116-L142 WeakPolarHBondContact O-CD1 3.32Å; K116-T143 PolarHBondContact O-N 3.34Å; K116-Y144 PolarHBondContact O-N 3.08Å
117S98Very high97.3Very high22 Ų2260.7 Ų60.715%0.15430%0.296CS..EExtended strand (participates in β ladder)trans-131.3130.8-176.4-170.40000111.8T91 H92 L93 Y144T91-S117 PolarHBondContact O-N 2.97Å; H92-S117 WeakPolarHBondContact CA-O 3.41Å; H92-S117 VanDerWaalsContact CD2-CB 3.43Å; H92-S117 WeakPolarHBondContact CD2-CB 3.16Å; L93-S117 PolarHBondContact N-O 3.07Å; S117-Y144 WeakPolarHBondContact CA-O 3.36Å
118L98.4Very high97.2Very high0 Ų060.3 Ų60.30%030%0.296CS..EExtended strand (participates in β ladder)trans-133.2129.1179.2176.761.8000109.3L93 L95 L109 L120 L139 L142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.15Å; L93-L118 HydrophobicContact CD2-CD1 3.99Å; L93-L118 HydrophobicContact CG-CD1 4.02Å; L93-L118 WeakPolarHBondContact O-CA 3.28Å; L95-L118 HydrophobicContact CD1-CD1 4.36Å; L109-L118 HydrophobicContact CD1-CD1 4.14Å; L109-L118 HydrophobicContact CD1-CD2 4.04Å; L118-L120 HydrophobicContact CD1-CD2 4.38Å; L118-L120 HydrophobicContact CD1-CG 4.31Å; L118-L120 HydrophobicContact CD2-CD1 3.91Å; L118-L120 HydrophobicContact CD2-CG 4.21Å; L118-L120 HydrophobicContact CG-CD1 4.26Å; L118-L120 HydrophobicContact CG-CG 4.03Å; L118-L139 HydrophobicContact CD2-CD1 3.8Å; L118-L142 HydrophobicContact CB-CD1 3.63Å; L118-L142 HydrophobicContact CB-CD2 3.96Å; L118-L142 HydrophobicContact CB-CG 4.45Å; L118-Y144 PolarHBondContact N-O 3.48Å; L118-Y144 VanDerWaalsContact N-O 3.07Å; L118-L145 HydrophobicContact CB-CD1 4.36Å; L118-L145 HydrophobicContact CD2-CD1 4.42Å; L118-L145 HydrophobicContact CG-CD1 4.34Å; L118-L145 CarbonylContact O-C 3.38Å; L118-L145 WeakPolarHBondContact O-CA 3.42Å; L118-D146 PolarHBondContact O-N 3.47Å
119D98.3Very high97.2Very high40 Ų4065.8 Ų65.821%0.21432%0.324CS..EExtended strand (participates in β ladder)trans-115.7121.8174.2-173.9-7.1000109.9L93 N94 L95 S96 F121L93-D119 PolarHBondContact O-N 2.97Å; N94-D119 HydrophobicContact CB-CB 4.3Å; N94-D119 PolarHBondContact ND2-OD2 3.43Å; L95-D119 CarbonylContact C-O 3.36Å; L95-D119 WeakPolarHBondContact CA-O 3.15Å; L95-D119 PolarHBondContact N-O 3.29Å; S96-D119 PolarHBondContact N-O 2.9Å; D119-F121 WeakPolarHBondContact OD1-CB 3.21Å; D119-F121 PolarHBondContact OD1-N 3.48Å
120L98.1Very high97.1Very high0 Ų070.7 Ų70.70%035%0.351CS..  trans-122.816.3178-65.7169.5000110.8L95 I100 I106 L118 N122 C123 V125 T126 Y131 L145 D146L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.15Å; I100-L120 HydrophobicContact CG1-CD2 4.33Å; I100-L120 HydrophobicContact CG2-CD2 4.43Å; I106-L120 HydrophobicContact CD1-CD1 4.13Å; I106-L120 HydrophobicContact CG2-CD1 4.38Å; I106-L120 HydrophobicContact CG2-CD2 4.25Å; L118-L120 HydrophobicContact CD1-CD2 4.38Å; L118-L120 HydrophobicContact CD1-CG 4.31Å; L118-L120 HydrophobicContact CD2-CD1 3.91Å; L118-L120 HydrophobicContact CD2-CG 4.21Å; L118-L120 HydrophobicContact CG-CD1 4.26Å; L118-L120 HydrophobicContact CG-CG 4.03Å; L120-N122 PolarHBondContact O-N 2.88Å; L120-C123 WeakPolarHBondContact O-CB 3.07Å; L120-C123 PolarHBondContact O-N 3.28Å; L120-C123 PolarHBondContact O-SG 3.44Å; L120-V125 HydrophobicContact CB-CG1 4.37Å; L120-V125 HydrophobicContact CD1-CG1 4.25Å; L120-T126 HydrophobicContact CB-CG2 4.46Å; L120-T126 WeakPolarHBondContact O-CG2 3.37Å; L120-Y131 WeakPolarHBondContact CB-OH 3.16Å; L120-Y131 HydrophobicContact CD1-CE2 4.07Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.46Å; L120-L145 HydrophobicContact CD1-CD1 4.43Å; L120-D146 WeakPolarHBondContact CA-OD1 3.22Å; L120-D146 PolarHBondContact N-OD1 3.27Å
121F96.2Very high97.1Very high143 Ų14367 Ų6763%0.62733%0.334SS*.THydrogen-bonded Turntrans-51.5140.3-179.3-173.1-99.8000111S96 G97 D119 C123 D146S96-F121 CarbonylContact C-O 3.53Å; S96-F121 WeakPolarHBondContact CA-O 3.3Å; S96-F121 WeakPolarHBondContact CB-O 3.43Å; G97-F121 PolarHBondContact N-O 2.94Å; D119-F121 WeakPolarHBondContact OD1-CB 3.21Å; D119-F121 PolarHBondContact OD1-N 3.48Å; F121-C123 PolarHBondContact O-N 2.75Å; F121-C123 VanDerWaalsContact O-N 3.16Å; F121-D146 PolarHBondContact N-OD1 2.87Å
122N96.5Very high97.1Very high115 Ų11563.6 Ų63.662%0.61532%0.318SS*.THydrogen-bonded Turntrans59.223.5-178.4-164.636.9000115.1L120L120-N122 PolarHBondContact O-N 2.88Å
123C97.8Very high97.1Very high3 Ų370.4 Ų70.42%0.0235%0.349CS..SBendtrans-93.1155.5164.4-67.90000111.6L95 I100 L120 F121 V125 T126L95-C123 PolarHBondContact O-SG 2.89Å; I100-C123 HydrophobicContact CB-CB 4.04Å; L120-C123 WeakPolarHBondContact O-CB 3.07Å; L120-C123 PolarHBondContact O-N 3.28Å; L120-C123 PolarHBondContact O-SG 3.44Å; F121-C123 PolarHBondContact O-N 2.75Å; F121-C123 VanDerWaalsContact O-N 3.16Å; C123-V125 HydrophobicContact CB-CG1 3.86Å; C123-V125 PolarHBondContact O-N 2.79Å; C123-T126 PolarHBondContact O-N 3.23Å; C123-T126 PolarHBondContact O-OG1 3.29Å
124E96.5Very high97.1Very high83 Ų8365.6 Ų65.639%0.38833%0.329SS..G310 helixtrans-60.4-33.6178.9-74.2174.5-129.900112.3I100 K101 T126 N127I100-E124 PolarHBondContact O-N 2.78Å; I100-E124 VanDerWaalsContact O-N 3.1Å; K101-E124 HydrophobicContact CB-CB 4.48Å; K101-E124 WeakPolarHBondContact CD-OE2 3.24Å; K101-E124 WeakPolarHBondContact CE-OE1 3.48Å; K101-E124 WeakPolarHBondContact CE-OE2 3.46Å; K101-E124 HydrophobicContact CG-CB 4.24Å; K101-E124 IonicContact NZ-OE2 2.74Å; E124-T126 PolarHBondContact O-N 2.92Å; E124-N127 WeakPolarHBondContact O-CB 3.15Å; E124-N127 PolarHBondContact O-N 2.85Å; E124-N127 VanDerWaalsContact O-N 3.11Å; E124-N127 PolarHBondContact O-ND2 2.75Å; E124-N127 VanDerWaalsContact O-ND2 3.11Å
125V97.1Very high97.2Very high0 Ų062 Ų620%031%0.31CS..G310 helixtrans-57.4-27.3178710000113.8I100 L103 L120 C123 N127 L128 Y131I100-V125 HydrophobicContact CB-CG1 4.36Å; I100-V125 HydrophobicContact CG2-CB 4.25Å; I100-V125 HydrophobicContact CG2-CG1 4.01Å; I100-V125 PolarHBondContact O-N 3.35Å; L103-V125 HydrophobicContact CD2-CG2 3.9Å; L103-V125 HydrophobicContact CG-CG2 4.42Å; L120-V125 HydrophobicContact CB-CG1 4.37Å; L120-V125 HydrophobicContact CD1-CG1 4.25Å; C123-V125 HydrophobicContact CB-CG1 3.86Å; C123-V125 PolarHBondContact O-N 2.79Å; V125-N127 PolarHBondContact O-N 2.9Å; V125-L128 HydrophobicContact CG2-CD1 3.77Å; V125-L128 WeakPolarHBondContact O-CB 3.19Å; V125-L128 VanDerWaalsContact O-CG 3.28Å; V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.31Å; V125-Y131 HydrophobicContact CG1-CE2 4.08Å; V125-Y131 HydrophobicContact CG2-CD2 4.21Å; V125-Y131 HydrophobicContact CG2-CE2 4.32Å; V125-Y131 WeakPolarHBondContact O-CD2 3.43Å
126T96.4Very high97.1Very high45 Ų4562.9 Ų62.928%0.27631%0.314SS..G310 helixtrans-68.8-16.4179.863.80000113L120 C123 E124 L128 Y131L120-T126 HydrophobicContact CB-CG2 4.46Å; L120-T126 WeakPolarHBondContact O-CG2 3.37Å; C123-T126 PolarHBondContact O-N 3.23Å; C123-T126 PolarHBondContact O-OG1 3.29Å; E124-T126 PolarHBondContact O-N 2.92Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-Y131 HydrophobicContact CG2-CE1 4.22Å; T126-Y131 HydrophobicContact CG2-CE2 4.43Å
127N96.7Very high97.1Very high133 Ų13365.7 Ų65.771%0.71133%0.326SS*.G310 helixtrans-86-2.5176.9-57.8-70.5000113.5E124 V125E124-N127 WeakPolarHBondContact O-CB 3.15Å; E124-N127 PolarHBondContact O-N 2.85Å; E124-N127 VanDerWaalsContact O-N 3.11Å; E124-N127 PolarHBondContact O-ND2 2.75Å; E124-N127 VanDerWaalsContact O-ND2 3.11Å; V125-N127 PolarHBondContact O-N 2.9Å
128L96.3Very high97.1Very high74 Ų7466.9 Ų66.939%0.38733%0.33SS..SBendtrans-71.5145.8176.6-61.5178.5000110.5L103 V125 T126 Y131L103-L128 HydrophobicContact CG-CD1 4.18Å; V125-L128 HydrophobicContact CG2-CD1 3.77Å; V125-L128 WeakPolarHBondContact O-CB 3.19Å; V125-L128 VanDerWaalsContact O-CG 3.28Å; V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.31Å; T126-L128 VanDerWaalsContact C-N 3.33Å; L128-Y131 WeakPolarHBondContact O-CB 3.43Å; L128-Y131 PolarHBondContact O-N 2.89Å
129N96.3Very high97.1Very high140 Ų14066.9 Ų66.975%0.74933%0.33SS*.THydrogen-bonded Turntrans-62.3141.6171.8-63.9-26.7000110.2Y131 N134N129-Y131 PolarHBondContact O-N 2.93Å; N129-Y131 VanDerWaalsContact O-N 3.08Å; N129-N134 PolarHBondContact O-ND2 3Å
130D95.9Very high97Very high105 Ų10569.4 Ų69.456%0.56135%0.349SS*.THydrogen-bonded Turntrans53.829.8178.4-45.4-51.9000112.7R132 E133 N134D130-R132 PolarHBondContact O-N 3.35Å; D130-E133 PolarHBondContact O-N 3.27Å; D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 VanDerWaalsContact O-CG 3.32Å; D130-N134 PolarHBondContact O-N 2.76Å; D130-N134 PolarHBondContact O-ND2 2.81Å; D130-N134 VanDerWaalsContact O-ND2 3.08Å
131Y96.8Very high97Very high17 Ų1771.6 Ų71.67%0.06736%0.359CS..Hα-helixtrans-50-55.1-175.3152.5-104.6000112.1L120 V125 T126 L128 N129 E133 N134 V135 L145 D146L120-Y131 WeakPolarHBondContact CB-OH 3.16Å; L120-Y131 HydrophobicContact CD1-CE2 4.07Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.46Å; V125-Y131 HydrophobicContact CG1-CE2 4.08Å; V125-Y131 HydrophobicContact CG2-CD2 4.21Å; V125-Y131 HydrophobicContact CG2-CE2 4.32Å; V125-Y131 WeakPolarHBondContact O-CD2 3.43Å; T126-Y131 HydrophobicContact CG2-CE1 4.22Å; T126-Y131 HydrophobicContact CG2-CE2 4.43Å; L128-Y131 WeakPolarHBondContact O-CB 3.43Å; L128-Y131 PolarHBondContact O-N 2.89Å; N129-Y131 PolarHBondContact O-N 2.93Å; N129-Y131 VanDerWaalsContact O-N 3.08Å; Y131-E133 PolarHBondContact O-N 2.82Å; Y131-N134 PolarHBondContact O-N 2.96Å; Y131-V135 HydrophobicContact CD2-CG2 3.72Å; Y131-V135 HydrophobicContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact O-CG2 3.3Å; Y131-V135 WeakPolarHBondContact O-CG2 3.38Å; Y131-V135 PolarHBondContact O-N 3.32Å; Y131-L145 HydrophobicContact CE1-CD2 4.1Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.33Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.22Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.47Å; Y131-D146 PolarHBondContact OH-OD2 3.05Å
132R97Very high97.1Very high62 Ų6264.9 Ų64.923%0.23433%0.329CS..Hα-helixtrans-59.8-48.2-177.8-67-179.164.972.90.9111.8D130 N134 V135 F136 L145 Y148 D149 D152D130-R132 PolarHBondContact O-N 3.35Å; R132-N134 VanDerWaalsContact C-N 3.33Å; R132-N134 PolarHBondContact O-N 3.31Å; R132-V135 PolarHBondContact O-N 2.89Å; R132-F136 WeakPolarHBondContact O-CD2 3.42Å; R132-F136 PolarHBondContact O-N 3.2Å; R132-L145 HydrophobicContact CB-CD2 4.18Å; R132-L145 HydrophobicContact CG-CD2 4.08Å; R132-L145 PolarHBondContact NH1-O 3.43Å; R132-Y148 PolarHBondContact NH2-O 2.88Å; R132-D149 PolarHBondContact NH2-O 3Å; R132-D152 IonicContact NE-OD1 3.83Å
133E96.8Very high97.1Very high143 Ų14362 Ų6267%0.66832%0.316SS*.Hα-helixtrans-61.1-43.3179.4-63.5-172.5178.100111.7D130 Y131 F136 K137D130-E133 PolarHBondContact O-N 3.27Å; Y131-E133 PolarHBondContact O-N 2.82Å; E133-F136 PolarHBondContact O-N 3.23Å; E133-K137 VanDerWaalsContact O-CB 3.31Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 2.85Å
134N97.8Very high97.1Very high62 Ų6264.7 Ų64.733%0.33233%0.327SS..Hα-helixtrans-67.2-37.9178.3-73.2-41.5000112.2L103 N129 D130 Y131 R132 K137 L138L103-N134 HydrophobicContact CD1-CB 3.6Å; N129-N134 PolarHBondContact O-ND2 3Å; D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 VanDerWaalsContact O-CG 3.32Å; D130-N134 PolarHBondContact O-N 2.76Å; D130-N134 PolarHBondContact O-ND2 2.81Å; D130-N134 VanDerWaalsContact O-ND2 3.08Å; Y131-N134 PolarHBondContact O-N 2.96Å; R132-N134 VanDerWaalsContact C-N 3.33Å; R132-N134 PolarHBondContact O-N 3.31Å; N134-K137 PolarHBondContact O-N 2.7Å; N134-L138 VanDerWaalsContact O-CB 3.29Å; N134-L138 WeakPolarHBondContact O-CB 3.42Å; N134-L138 PolarHBondContact O-N 3.08Å
135V97.9Very high97.2Very high0 Ų060.8 Ų60.80%031%0.308CS..Hα-helixtrans-65.3-49.1174.5173.50000110.9L103 I106 Y131 R132 K137 L138 L139 L142 L145L103-V135 HydrophobicContact CD2-CG2 3.69Å; I106-V135 HydrophobicContact CD1-CG1 4.37Å; I106-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CD2-CG2 3.72Å; Y131-V135 HydrophobicContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.44Å; Y131-V135 VanDerWaalsContact O-CG2 3.3Å; Y131-V135 WeakPolarHBondContact O-CG2 3.38Å; Y131-V135 PolarHBondContact O-N 3.32Å; R132-V135 PolarHBondContact O-N 2.89Å; V135-K137 PolarHBondContact O-N 3.01Å; V135-L138 PolarHBondContact O-N 2.9Å; V135-L139 HydrophobicContact CG1-CD1 4.23Å; V135-L139 PolarHBondContact O-N 3.39Å; V135-L142 HydrophobicContact CG1-CD2 4.19Å; V135-L145 HydrophobicContact CB-CD2 3.73Å; V135-L145 HydrophobicContact CG1-CD1 3.9Å; V135-L145 HydrophobicContact CG1-CD2 3.71Å; V135-L145 HydrophobicContact CG1-CG 4.42Å; V135-L145 HydrophobicContact CG2-CD2 4.25Å
136F97.8Very high97.2Very high19 Ų1962.2 Ų62.28%0.08332%0.316CS..Hα-helixtrans-63.8-29.1178.3-78.4-58.6000113.3R132 E133 L139 L142 L145 R150R132-F136 WeakPolarHBondContact O-CD2 3.42Å; R132-F136 PolarHBondContact O-N 3.2Å; E133-F136 PolarHBondContact O-N 3.23Å; F136-L139 CarbonylContact O-C 3.52Å; F136-L142 HydrophobicContact CD1-CB 4.41Å; F136-L142 HydrophobicContact CD1-CD2 4.42Å; F136-L142 HydrophobicContact CE1-CB 4.46Å; F136-L142 HydrophobicContact CE1-CD2 4.19Å; F136-L142 HydrophobicContact CE1-CG 4.39Å; F136-L145 HydrophobicContact CE1-CB 4.18Å; F136-L145 HydrophobicContact CE2-CB 4.1Å; F136-L145 HydrophobicContact CE2-CD2 4.3Å; F136-L145 HydrophobicContact CZ-CB 3.65Å; F136-R150 HydrophobicContact CD1-CG 3.96Å; F136-R150 VanDerWaalsContact CD1-CZ 3.46Å; F136-R150 HydrophobicContact CD2-CG 3.86Å; F136-R150 HydrophobicContact CE1-CG 3.94Å; F136-R150 HydrophobicContact CE2-CG 3.84Å; F136-R150 HydrophobicContact CG-CG 3.92Å; F136-R150 HydrophobicContact CZ-CG 3.88Å
137K97.5Very high97.1Very high173 Ų17361.4 Ų61.475%0.75232%0.317SS*.Hα-helixtrans-72.9-36.3172.6-176.5178-179.9-179.90112.3E133 N134 V135E133-K137 VanDerWaalsContact O-CB 3.31Å; E133-K137 WeakPolarHBondContact O-CB 3.46Å; E133-K137 PolarHBondContact O-N 2.85Å; N134-K137 PolarHBondContact O-N 2.7Å; V135-K137 PolarHBondContact O-N 3.01Å
138L97.7Very high97.2Very high47 Ų4760 Ų6025%0.24630%0.302CS..Hα-helixtrans-74.4-38.4178.6-177.163.4000112L103 I106 E107 N134 V135 P140L103-L138 HydrophobicContact CB-CD2 4.23Å; L103-L138 WeakPolarHBondContact O-CD2 3.33Å; I106-L138 HydrophobicContact CD1-CD2 4.22Å; I106-L138 HydrophobicContact CG1-CD2 3.95Å; E107-L138 HydrophobicContact CB-CD1 4.4Å; E107-L138 HydrophobicContact CB-CD2 4.41Å; E107-L138 HydrophobicContact CG-CD1 4.16Å; N134-L138 VanDerWaalsContact O-CB 3.29Å; N134-L138 WeakPolarHBondContact O-CB 3.42Å; N134-L138 PolarHBondContact O-N 3.08Å; V135-L138 PolarHBondContact O-N 2.9Å; L138-P140 WeakPolarHBondContact O-CD 3.5Å
139L97.8Very high97.2Very high1 Ų157.8 Ų57.81%0.00529%0.29CS..  trans-120.174.6-175.9-54.6-179.4000109.6L109 K110 L118 V135 F136 Q141 L142L109-L139 HydrophobicContact CB-CD1 4.3Å; L109-L139 HydrophobicContact CB-CD2 4.12Å; K110-L139 HydrophobicContact CB-CD2 3.84Å; K110-L139 VanDerWaalsContact N-CD2 3.34Å; L118-L139 HydrophobicContact CD2-CD1 3.8Å; V135-L139 HydrophobicContact CG1-CD1 4.23Å; V135-L139 PolarHBondContact O-N 3.39Å; F136-L139 CarbonylContact O-C 3.52Å; L139-Q141 PolarHBondContact O-N 2.9Å; L139-L142 HydrophobicContact CB-CB 4.2Å; L139-L142 VanDerWaalsContact O-CB 3.29Å; L139-L142 WeakPolarHBondContact O-CB 3.45Å; L139-L142 PolarHBondContact O-N 2.79Å; L139-L142 VanDerWaalsContact O-N 3.13Å
140P96.8Very high97.1Very high92 Ų9257.1 Ų57.160%0.59728%0.278SS*.THydrogen-bonded Turntrans-63.6-26.3-175.325.8-35.3000113.7L138 L142 R150L138-P140 WeakPolarHBondContact O-CD 3.5Å; P140-L142 PolarHBondContact O-N 3.26Å; P140-R150 PolarHBondContact O-NH2 3.37Å
141Q97.2Very high97.1Very high47 Ų4757.4 Ų57.422%0.2228%0.279CS..THydrogen-bonded Turntrans-67.6-18.3176.667.1-94.151.800113.8L109 K110 L112 L115 L139L109-Q141 PolarHBondContact O-NE2 3.36Å; K110-Q141 PolarHBondContact O-NE2 3.05Å; L112-Q141 PolarHBondContact O-NE2 3.38Å; L115-Q141 WeakPolarHBondContact O-CG 3.37Å; L139-Q141 PolarHBondContact O-N 2.9Å
142L97.7Very high97Very high1 Ų162 Ų621%0.00531%0.305CS..  trans-72.7132.6-174.5-164.773.6000110.7L115 K116 L118 V135 F136 L139 P140 Y144 L145 R150L115-L142 HydrophobicContact CD2-CD1 4.49Å; L115-L142 HydrophobicContact CG-CD1 4.28Å; K116-L142 WeakPolarHBondContact O-CD1 3.32Å; L118-L142 HydrophobicContact CB-CD1 3.63Å; L118-L142 HydrophobicContact CB-CD2 3.96Å; L118-L142 HydrophobicContact CB-CG 4.45Å; V135-L142 HydrophobicContact CG1-CD2 4.19Å; F136-L142 HydrophobicContact CD1-CB 4.41Å; F136-L142 HydrophobicContact CD1-CD2 4.42Å; F136-L142 HydrophobicContact CE1-CB 4.46Å; F136-L142 HydrophobicContact CE1-CD2 4.19Å; F136-L142 HydrophobicContact CE1-CG 4.39Å; L139-L142 HydrophobicContact CB-CB 4.2Å; L139-L142 VanDerWaalsContact O-CB 3.29Å; L139-L142 WeakPolarHBondContact O-CB 3.45Å; L139-L142 PolarHBondContact O-N 2.79Å; L139-L142 VanDerWaalsContact O-N 3.13Å; P140-L142 PolarHBondContact O-N 3.26Å; L142-Y144 WeakPolarHBondContact CD2-O 3.44Å; L142-Y144 WeakPolarHBondContact CG-O 3.32Å; L142-L145 HydrophobicContact CD2-CB 3.98Å; L142-L145 HydrophobicContact CD2-CD1 4.06Å; L142-R150 PolarHBondContact O-NH1 3.36Å; L142-R150 PolarHBondContact O-NH2 3.18Å
143T97.4Very high97Very high56 Ų5664.7 Ų64.734%0.34432%0.318SS..  trans-96.3-47174.5-57.20000110.7K116 D149K116-T143 PolarHBondContact O-N 3.34Å; T143-D149 WeakPolarHBondContact O-CA 3.22Å
144Y98.1Very high96.9Very high59 Ų5964.7 Ų64.723%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-119133.7-175-58-70.6000111.3K116 S117 L118 L142 D149 A155 P156K116-Y144 PolarHBondContact O-N 3.08Å; S117-Y144 WeakPolarHBondContact CA-O 3.36Å; L118-Y144 PolarHBondContact N-O 3.48Å; L118-Y144 VanDerWaalsContact N-O 3.07Å; L142-Y144 WeakPolarHBondContact CD2-O 3.44Å; L142-Y144 WeakPolarHBondContact CG-O 3.32Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.92Å; Y144-A155 HydrophobicContact CD1-CB 3.58Å; Y144-A155 HydrophobicContact CD2-CB 4.16Å; Y144-A155 HydrophobicContact CE1-CB 3.77Å; Y144-A155 HydrophobicContact CE2-CB 4.32Å; Y144-A155 HydrophobicContact CG-CB 3.79Å; Y144-P156 WeakPolarHBondContact OH-CD 3.47Å
145L98.1Very high96.6Very high0 Ų062.9 Ų62.90%031%0.312CS..EExtended strand (participates in β ladder)trans-126.9124.1174.6-179.662.6000108.9L118 L120 Y131 R132 V135 F136 L142 G147 Y148L118-L145 HydrophobicContact CB-CD1 4.36Å; L118-L145 HydrophobicContact CD2-CD1 4.42Å; L118-L145 HydrophobicContact CG-CD1 4.34Å; L118-L145 CarbonylContact O-C 3.38Å; L118-L145 WeakPolarHBondContact O-CA 3.42Å; L120-L145 HydrophobicContact CD1-CD1 4.43Å; Y131-L145 HydrophobicContact CE1-CD2 4.1Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.33Å; R132-L145 HydrophobicContact CB-CD2 4.18Å; R132-L145 HydrophobicContact CG-CD2 4.08Å; R132-L145 PolarHBondContact NH1-O 3.43Å; V135-L145 HydrophobicContact CB-CD2 3.73Å; V135-L145 HydrophobicContact CG1-CD1 3.9Å; V135-L145 HydrophobicContact CG1-CD2 3.71Å; V135-L145 HydrophobicContact CG1-CG 4.42Å; V135-L145 HydrophobicContact CG2-CD2 4.25Å; F136-L145 HydrophobicContact CE1-CB 4.18Å; F136-L145 HydrophobicContact CE2-CB 4.1Å; F136-L145 HydrophobicContact CE2-CD2 4.3Å; F136-L145 HydrophobicContact CZ-CB 3.65Å; L142-L145 HydrophobicContact CD2-CB 3.98Å; L142-L145 HydrophobicContact CD2-CD1 4.06Å; L145-G147 PolarHBondContact O-N 2.85Å; L145-Y148 PolarHBondContact N-O 2.78Å; L145-Y148 PolarHBondContact O-N 3.35Å; L145-Y148 VanDerWaalsContact O-O 3.05Å
146D97Very high96.1Very high31 Ų3166.3 Ų66.317%0.16633%0.334CS..THydrogen-bonded Turntrans53.634-178.9-52.1-49.3000112.8L118 L120 F121 Y131 Y148L118-D146 PolarHBondContact O-N 3.47Å; L120-D146 WeakPolarHBondContact CA-OD1 3.22Å; L120-D146 PolarHBondContact N-OD1 3.27Å; F121-D146 PolarHBondContact N-OD1 2.87Å; Y131-D146 VanDerWaalsContact CE1-OD2 3.22Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.47Å; Y131-D146 PolarHBondContact OH-OD2 3.05Å; D146-Y148 VanDerWaalsContact O-CD2 3.25Å; D146-Y148 WeakPolarHBondContact O-CD2 3.28Å
147G95.4Very high94.9Very high28 Ų2871.8 Ų71.829%0.28936%0.364SS..THydrogen-bonded Turntrans86.71.8-179.500000116L145 E154 A155L145-G147 PolarHBondContact O-N 2.85Å; G147-E154 WeakPolarHBondContact O-CA 3.14Å; G147-A155 PolarHBondContact O-N 3.24Å
148Y97Very high93Very high103 Ų10366.3 Ų66.340%0.40435%0.348SS..BIsolated β-bridgetrans-131.2145.3-177.7-60.3-95.8000112.4R132 L145 D146 K153 E154R132-Y148 PolarHBondContact NH2-O 2.88Å; L145-Y148 PolarHBondContact N-O 2.78Å; L145-Y148 PolarHBondContact O-N 3.35Å; L145-Y148 VanDerWaalsContact O-O 3.05Å; D146-Y148 VanDerWaalsContact O-CD2 3.25Å; D146-Y148 WeakPolarHBondContact O-CD2 3.28Å; Y148-K153 CarbonylContact C-O 3.36Å; Y148-K153 VanDerWaalsContact CA-O 3.3Å; Y148-K153 WeakPolarHBondContact CA-O 3.38Å; Y148-E154 HydrophobicContact CD1-CB 4.4Å; Y148-E154 HydrophobicContact CE1-CB 4.21Å
149D96.8Very high91Very high27 Ų2771 Ų7114%0.14437%0.373CS..  trans-77.5-168.817477.11.8000113R132 T143 Y144 D151 D152 K153R132-D149 PolarHBondContact NH2-O 3Å; T143-D149 WeakPolarHBondContact O-CA 3.22Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.92Å; D149-D151 VanDerWaalsContact C-N 3.26Å; D149-D151 PolarHBondContact O-N 3.2Å; D149-D151 WeakPolarHBondContact OD1-CA 3.19Å; D149-D151 WeakPolarHBondContact OD1-CB 3.46Å; D149-D151 PolarHBondContact OD1-N 2.93Å; D149-D152 PolarHBondContact O-N 3.23Å; D149-D152 PolarHBondContact OD1-N 3.08Å; D149-D152 VanDerWaalsContact OD1-N 3.13Å; D149-K153 PolarHBondContact N-O 3.37Å; D149-K153 WeakPolarHBondContact OD1-CB 3.22Å; D149-K153 PolarHBondContact OD1-N 3.41Å
150R95.4Very high88.4Confident127 Ų12774.9 Ų74.948%0.47941%0.405SS..THydrogen-bonded Turntrans-69.3-21177.8-68.7176.9178.875.8-1.2113.7F136 P140 L142F136-R150 HydrophobicContact CD1-CG 3.96Å; F136-R150 VanDerWaalsContact CD1-CZ 3.46Å; F136-R150 HydrophobicContact CD2-CG 3.86Å; F136-R150 HydrophobicContact CE1-CG 3.94Å; F136-R150 HydrophobicContact CE2-CG 3.84Å; F136-R150 HydrophobicContact CG-CG 3.92Å; F136-R150 HydrophobicContact CZ-CG 3.88Å; P140-R150 PolarHBondContact O-NH2 3.37Å; L142-R150 PolarHBondContact O-NH1 3.36Å; L142-R150 PolarHBondContact O-NH2 3.18Å
151D95.4Very high86Confident111 Ų11177.3 Ų77.359%0.59441%0.409SS*.THydrogen-bonded Turntrans-100.413.4-179.5-63.2-28.1000112.2D149 K153D149-D151 VanDerWaalsContact C-N 3.26Å; D149-D151 PolarHBondContact O-N 3.2Å; D149-D151 WeakPolarHBondContact OD1-CA 3.19Å; D149-D151 WeakPolarHBondContact OD1-CB 3.46Å; D149-D151 PolarHBondContact OD1-N 2.93Å; D151-K153 HydrophobicContact CB-CD 4.44Å; D151-K153 HydrophobicContact CB-CG 4.17Å; D151-K153 PolarHBondContact O-N 3.17Å; D151-K153 IonicContact OD2-NZ 2.78Å; D151-K153 PolarHBondContact OD2-NZ 3.42Å
152D94.8Very high83.4Confident114 Ų11477.8 Ų77.861%0.6143%0.426SS*.SBendtrans57.530.1-172.7-66.1-38.8000114R132 D149R132-D152 IonicContact NE-OD1 3.83Å; D149-D152 PolarHBondContact O-N 3.23Å; D149-D152 PolarHBondContact OD1-N 3.08Å; D149-D152 VanDerWaalsContact OD1-N 3.13Å
153K95.8Very high81.1Confident118 Ų11882.5 Ų82.551%0.51344%0.444SS..PPolyproline II helixtrans-85.7131169.8-56.8178.9-171.9122.40109.7Y148 D149 D151Y148-K153 CarbonylContact C-O 3.36Å; Y148-K153 VanDerWaalsContact CA-O 3.3Å; Y148-K153 WeakPolarHBondContact CA-O 3.38Å; D149-K153 PolarHBondContact N-O 3.37Å; D149-K153 WeakPolarHBondContact OD1-CB 3.22Å; D149-K153 PolarHBondContact OD1-N 3.41Å; D151-K153 HydrophobicContact CB-CD 4.44Å; D151-K153 HydrophobicContact CB-CG 4.17Å; D151-K153 PolarHBondContact O-N 3.17Å; D151-K153 IonicContact OD2-NZ 2.78Å; D151-K153 PolarHBondContact OD2-NZ 3.42Å
154E94.8Very high78.5Confident143 Ų14385.6 Ų85.667%0.66846%0.463SS*.BIsolated β-bridgetrans-61.5135.1175.8-169.5170.1-160.500110.2G147 Y148G147-E154 WeakPolarHBondContact O-CA 3.14Å; Y148-E154 HydrophobicContact CD1-CB 4.4Å; Y148-E154 HydrophobicContact CE1-CB 4.21Å
155A91.5Very high76.1Confident24 Ų2490.5 Ų90.520%0.19849%0.488CS..PPolyproline II helixtrans-60.4144.417300000109.7Y144 G147Y144-A155 HydrophobicContact CD1-CB 3.58Å; Y144-A155 HydrophobicContact CD2-CB 4.16Å; Y144-A155 HydrophobicContact CE1-CB 3.77Å; Y144-A155 HydrophobicContact CE2-CB 4.32Å; Y144-A155 HydrophobicContact CG-CB 3.79Å; G147-A155 PolarHBondContact O-N 3.24Å
156P88.7Confident73.3Confident71 Ų7192.6 Ų92.646%0.46151%0.51SS..PPolyproline II helixtrans-59.9147.8169.728.3-33.7000109.4Y144 S158Y144-P156 WeakPolarHBondContact OH-CD 3.47Å; P156-S158 PolarHBondContact O-N 3.21Å
157D71.5Confident70.6Confident134 Ų13499.6 Ų99.672%0.71755%0.546SS*.  trans-50.9113.3175.4-71.6-38.8000109.2D159 A160D157-D159 PolarHBondContact O-N 3.44Å; D157-A160 WeakPolarHBondContact O-CB 3.37Å; D157-A160 PolarHBondContact O-N 3.16Å
158S58.8Low68.4Low59 Ų59105 Ų10541%0.41357%0.569SS.*THydrogen-bonded Turntrans-61.8-13.7-170.363.50000114.1K68 P156 A160K68-S158 PolarHBondContact NZ-OG 3.2Å; P156-S158 PolarHBondContact O-N 3.21Å; S158-A160 VanDerWaalsContact C-N 3.32Å
159D54.3Low65.8Low146 Ų146107.6 Ų107.678%0.78159%0.59SS**THydrogen-bonded Turntrans-86.1-7179.3-59.1-11.9000112.1D157D157-D159 PolarHBondContact O-N 3.44Å
160A44.2Very low63.5Low82 Ų82114.8 Ų114.868%0.67862%0.623SS**SBendtrans-86.9-20.1179.100000113.4D157 S158 G162D157-A160 WeakPolarHBondContact O-CB 3.37Å; D157-A160 PolarHBondContact O-N 3.16Å; S158-A160 VanDerWaalsContact C-N 3.32Å; A160-G162 PolarHBondContact O-N 3.05Å
161E46.7Very low61.4Low143 Ų143116.4 Ų116.467%0.66864%0.635SS**SBendtrans-88.880.1171.2-65.2-160.5-177.400109Y163E161-Y163 PolarHBondContact O-N 3.45Å
162G41.4Very low59.2Low57 Ų57119.4 Ų119.459%0.58865%0.646SS**  trans-48.7124.8159.300000107.9A160 V164A160-G162 PolarHBondContact O-N 3.05Å; G162-V164 PolarHBondContact O-N 2.87Å
163Y49.3Very low57.2Low99 Ų99120.3 Ų120.339%0.38865%0.651SS.*  trans-24.2109.8176.2-58.8-86.2000110.5E45 K67 E161 E165E45-Y163 HydrophobicContact CB-CE1 3.94Å; E45-Y163 HydrophobicContact CG-CE1 4.4Å; E45-Y163 VanDerWaalsContact OE2-CE1 3.31Å; E45-Y163 WeakPolarHBondContact OE2-CE1 3.38Å; K67-Y163 HydrophobicContact CD-CD1 3.93Å; K67-Y163 HydrophobicContact CD-CE1 3.96Å; E161-Y163 PolarHBondContact O-N 3.45Å; Y163-E165 PolarHBondContact O-N 3.09Å
164V43.4Very low55.2Low122 Ų122123 Ų12374%0.73967%0.665SS**  trans-63.191.1163.9-179.50000104.7G162G162-V164 PolarHBondContact O-N 2.87Å
165E47.4Very low53.2Low161 Ų161123.5 Ų123.575%0.75267%0.672SS**  trans-58.5140.3161.3-68.3-157.6162.600107.8Y163Y163-E165 PolarHBondContact O-N 3.09Å
166G39Very low51.5Low45 Ų45131.7 Ų131.746%0.46471%0.706SS.*  trans62.187.3157.300000115.5D168G166-D168 VanDerWaalsContact C-N 3.31Å
167L41Very low49.8Very low177 Ų177135.9 Ų135.993%0.92772%0.72SS**  -104.978.7120.5-68.1178.2000104.7
168D49.1Very low49.3Very low143 Ų143138 Ų13877%0.76573%0.725SS**  trans-55.2142.7156.6-73.2-35.2000107.4G166 E170G166-D168 VanDerWaalsContact C-N 3.31Å; D168-E170 PolarHBondContact O-N 2.58Å
169D42.8Very low49Very low157 Ų157145.8 Ų145.884%0.8475%0.747SS**  trans-45.5102.9159.8-78-48000109.6
170E49.2Very low49.2Very low178 Ų178146.2 Ų146.283%0.83275%0.75SS**  trans-115.6105.2141.7-72.4-168.1174.800105.7D168 E172D168-E170 PolarHBondContact O-N 2.58Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 2.86Å
171E50.7Low49.4Very low160 Ų160150.2 Ų150.275%0.74876%0.755SS**  trans-56.5103.6159.3-61.4-145.2162.800107.2D173E171-D173 PolarHBondContact O-N 3.47Å
172E49.2Very low49.7Very low174 Ų174150.6 Ų150.681%0.81376%0.761SS**  trans-72.290.4157.2-82.7-177.4159.500106.5E170 E174E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 2.86Å; E172-E174 PolarHBondContact O-N 3.11Å
173D53Low50.2Low133 Ų133153 Ų15371%0.71178%0.776SS**  trans-56.594.1152.8-77.8-45.1000107.3E171 D175E171-D173 PolarHBondContact O-N 3.47Å; D173-D175 PolarHBondContact O-N 3.27Å
174E53.1Low50.4Low176 Ų176157 Ų15782%0.82280%0.798SS**  trans-69.178.6167.1-77.4-176.9163.600109.4E172 E176E172-E174 PolarHBondContact O-N 3.11Å; E174-E176 PolarHBondContact O-N 2.94Å
175D53.3Low50.7Low153 Ų153157 Ų15782%0.81880%0.798SS**  trans-86.978.8159-78.9-28.9000108.7D173D173-D175 PolarHBondContact O-N 3.27Å
176E54.7Low51.1Low195 Ų195156.5 Ų156.591%0.91181%0.805SS**  trans-87.998.9165.3-110.8-173.1179.200109.4E174 E178E174-E176 PolarHBondContact O-N 2.94Å; E176-E178 PolarHBondContact O-N 3.11Å
177E54.5Low51.5Low160 Ų160162.7 Ų162.775%0.74882%0.822SS**  trans-60.6121.4171.8-73.7-81.4-170.600111.4Y179E177-Y179 PolarHBondContact O-N 2.69Å
178E59.5Low52Low177 Ų177160.7 Ų160.783%0.82781%0.813SS**  trans-71.2105.8176.4-173.5176-166.500110.1E176 D180E176-E178 PolarHBondContact O-N 3.11Å; E178-D180 PolarHBondContact O-N 3.1Å
179Y53.5Low52.2Low223 Ų223161.7 Ų161.788%0.87581%0.813SS**  trans-79.9104.1171-77.5-89.7000110.4E177E177-Y179 PolarHBondContact O-N 2.69Å
180D59.3Low52.4Low156 Ų156162.1 Ų162.183%0.83481%0.809SS**  trans-79128170.2-136.2-7000110.1E178E178-D180 PolarHBondContact O-N 3.1Å
181E47.5Very low52.5Low166 Ų166160 Ų16078%0.77680%0.804SS**  trans-84.6150.1178.8-161.9175.4-173.200109.6
182D52.9Low52.5Low150 Ų150160.3 Ų160.380%0.80281%0.806SS**  trans85.188.6168.2-55.2-45.9000119.7
183A52.1Low52.7Low109 Ų109158.2 Ų158.290%0.90180%0.8SS**  trans-154.3135140.600000114.2
184Q52.5Low52.7Low182 Ų182160.7 Ų160.785%0.8581%0.807SS**  trans-73.4143.5-168.3-73.9172.5-6.100116.7
185V49.6Very low52.4Low123 Ų123161.3 Ų161.375%0.74581%0.81SS**  56.3117.5127-170.50000119.4
186V56Low52.4Low149 Ų149163.4 Ų163.490%0.90382%0.815SS**  trans-158130.4135-990000110.2
187E48.6Very low52Low175 Ų175163.6 Ų163.682%0.81882%0.816SS**  trans-92.2174.3176-66.7-171156.400111.9
188D51.5Low51.9Low136 Ų136159.6 Ų159.673%0.72782%0.817SS**  trans111100.9160.4-60.8-14.5000115.2
189E51.9Low51.5Low164 Ų164160.1 Ų160.177%0.76682%0.82SS**  89.3102.890.1-63.8-126.9161.300110.7
190E48.1Very low51.3Low165 Ų165158.1 Ų158.177%0.77182%0.819SS**  80.914691.7-76.5-164.9-177.400114.9
191D52Low51.1Low134 Ų134160.3 Ų160.372%0.71782%0.824SS**  trans84.9105.8171.3-54.1-23.1000117.6
192E50.5Low51.2Low167 Ų167159.7 Ų159.778%0.7883%0.826SS**  94.5122.369.6-86.3-170.917900112.7
193D52.4Low51.5Low129 Ų129158.8 Ų158.869%0.6983%0.825SS**  trans89.2133.6140.7-66.6-15.7000124.4
194E53.1Low51.4Low186 Ų186158.6 Ų158.687%0.86982%0.818SS**  trans102.8136.8140.2-80.6175.1-157.800121.7
195E47.5Very low51.7Low188 Ų188153.9 Ų153.988%0.87982%0.817SS**  trans-81.4155.9-165.9-50.4179.8159.800112.9
196E52.7Low52Low198 Ų198156.2 Ų156.293%0.92582%0.82SS**  trans-162.9136.1139.9-123.8-179.4179.700112.6
197E46.4Very low51.8Low198 Ų198157.1 Ų157.193%0.92582%0.815SS**  trans-73154.7176.5-61.9-167.515400112.6
198G51.6Low52.1Low76 Ų76155.9 Ų155.978%0.78481%0.809SS**  trans-154.5134172.100000112.1
199E51.9Low52.2Low188 Ų188156.9 Ų156.988%0.87981%0.809SS**  trans-82.8153.7-153.3-57.5173.6147.200116.1
200E49.8Very low52.2Low182 Ų182155.8 Ų155.885%0.8581%0.809SS**  trans6.8137.8143.4-40.5-81.9159.200119.3
201E53.6Low52.6Low202 Ų202157.3 Ų157.394%0.94482%0.816SS**  trans-158.3142131-80.2-139.5169.600112
202D51Low52.6Low152 Ų152158.7 Ų158.781%0.81382%0.818SS**  trans-112.8129.4-166.7-178.217.7000109.1
203V58.2Low52.9Low131 Ų131154.5 Ų154.579%0.79482%0.819SS**  trans-147.3118.3165-171.80000112.1
204S50.8Low53.1Low106 Ų106158.1 Ų158.174%0.74183%0.825SS**  trans-67.6152.3170.755.30000115.2
205G57.9Low53.5Low82 Ų82157 Ų15785%0.84583%0.825SS**  trans-149.6111.4163.100000112.1
206E56.5Low53.8Low173 Ų173154.7 Ų154.781%0.80882%0.818SS**  trans-74.7137.4176-62.7174.3157.900111.1
207E51.2Low54.1Low167 Ų167148.7 Ų148.778%0.7881%0.809SS**  83.7164.2102.6-66.1-165.2173.900116.1
208E55.6Low54.3Low149 Ų149147.8 Ų147.870%0.69681%0.805SS**  trans90.599.8178.7-42-56.6176.700115.8
209E53.1Low54.6Low158 Ų158151.3 Ų151.374%0.73881%0.811SS**  85.3132.465.9-74.7-163.4172.100114.4
210D52.7Low54.7Low141 Ų141148.8 Ų148.875%0.75480%0.804SS**  trans76.7115.6153.1-55.7-18.3000122
211E56.5Low54.8Low197 Ų197146.6 Ų146.692%0.92180%0.798SS**  -170.7126.6103.2-117.4-174.6168.500112.7
212E51.7Low54.8Low163 Ų163146 Ų14676%0.76280%0.795SS**  trans-79151.5171.6-76.1-87.9172.100111.7Y214E212-Y214 WeakPolarHBondContact OE2-CE2 3.45Å
213G56.9Low54.8Low78 Ų78146.9 Ų146.980%0.80479%0.794SS**  trans-167.370.5175.500000114.5
214Y56.1Low54.6Low205 Ų205148.9 Ų148.980%0.80480%0.801SS**  trans-69.4136164.4-78.8-96.1000111.2E212E212-Y214 WeakPolarHBondContact OE2-CE2 3.45Å
215N60.9Low54.8Low164 Ų164152.1 Ų152.188%0.87780%0.804SS**  trans-144.9101152.9-163.239000110.2
216D55.3Low54.5Low139 Ų139156.5 Ų156.574%0.74380%0.802SS**  trans-97.7141.5162.9173.225.4000107.5
217G58.2Low54.2Low71 Ų71156.9 Ų156.973%0.73280%0.804SS**  trans-155.670.9-172.800000111.6
218E51.1Low53.9Low180 Ų180157.2 Ų157.284%0.84181%0.81SS**  trans-82.2124.9152.4-69.2-167.5160.800109.3
219V58.3Low53.3Low149 Ų149153.4 Ų153.490%0.90381%0.811SS**  trans-147.6130.6150.4-130.60000111.3
220D53.1Low53Low136 Ų136154.2 Ų154.273%0.72781%0.814SS**  trans-55.6165.3177.1-94.2-37.4000117.7
221D52.6Low52.6Low135 Ų135155.4 Ų155.472%0.72282%0.816SS**  trans62.7122.3142.1-63.3-27.1000119.6
222E52.5Low52.2Low191 Ų191155.1 Ų155.189%0.89381%0.814SS**  -172.3153.890.6-90.9-164.5-170.600112.3
223E51.9Low51.8Low169 Ų169159.4 Ų159.479%0.7982%0.823SS**  trans-68.7153.7-173.6-57.2168.7152.500113
224D53.6Low51.3Low174 Ų174159 Ų15993%0.9382%0.82SS**  trans-151.3110.9144.9-100.3-29.6000109.1
225E54.1Low50.9Low173 Ų173158.3 Ų158.381%0.80882%0.824SS**  trans-82.9-177.4171.8-67.1-160.4155.200111.7
226E52.3Low50.4Low175 Ų175159.7 Ų159.782%0.81882%0.822SS**  trans95.4127.9169.2-49.1-163-175.300114.8
227E50.1Low50.2Low181 Ų181164 Ų16485%0.84683%0.828SS**  cis-164.2152.518.9-147-179.6171.600110.2
228L44.3Very low50Low174 Ų174169.9 Ų169.991%0.91183%0.833SS**  trans-89159.4-179.9-74.1157.4000112.9
229G44.6Very low49.9Very low68 Ų68171.6 Ų171.670%0.70183%0.832SS**  trans17489.5159.900000111.8
230E46.3Very low49.8Very low175 Ų175171.5 Ų171.582%0.81882%0.821SS**  64.7104.795.2-70.5-164.1169.700114.6
231E45.1Very low50.1Low167 Ų167170 Ų17078%0.7882%0.819SS**  84.9119101.1-69.3-155.2160.800114.6
232E48Very low50.1Low191 Ų191172.7 Ų172.789%0.89383%0.828SS**  175.1144.2112-96.1-162.9137.900114
233R41.6Very low50.8Low252 Ų252171.4 Ų171.495%0.95183%0.827SS**  trans-90151.5-178.1-67.4165.9161.6162.5-3.9111.2
234G46.7Very low50.8Low70 Ų70172.1 Ų172.172%0.72283%0.83SS**  trans-179.293.5163.900000120.3
235Q49.1Very low51.6Low191 Ų191167.8 Ų167.889%0.89383%0.827SS**  trans50.4109.6133.5-55.118029.700121.5
236K49.5Very low51.6Low193 Ų193168.3 Ų168.384%0.83983%0.829SS**  56.1114.592.9-71.1-170.4176.8178.10118.4
237R52Low52.4Low230 Ų230167.9 Ų167.987%0.86883%0.832SS**  159.3138.9112.4-89.2174.2173.5-177.6-1117.5
238K54.3Low53.1Low193 Ų193166.5 Ų166.584%0.83983%0.831SS**  trans68.8118.5145.6-80.7-177.5167.4-172.10120.7
239R48.4Very low53.9Low216 Ų216169.7 Ų169.782%0.81585%0.849SS**  66.4125.871.5-128.6-164.4177.3-163.78.6111.6
240E55.4Low54.4Low147 Ų147174.8 Ų174.869%0.68786%0.856SS**  -165.3175.857.4-100-171.6-177.500113.5
241P59.2Low54.8Low105 Ų105174.8 Ų174.868%0.68286%0.858SS**  trans-100.9172.6-162.941.2-33.2000114.1
242E54.2Low55.4Low192 Ų192175.2 Ų175.290%0.89786%0.863SS**  trans159126.1150-90.8163.6-157.700109.3
243D66.8Low55.8Low164 Ų164174.3 Ų174.388%0.87786%0.861SS**  -168.4117124.6-146.5-1.3000110.4
244E51.7Low56.7Low184 Ų184169.4 Ų169.486%0.8686%0.855SS**  trans-88.7130.1169.4-70.6-175.7161.600108.1
245G69.3Low57.3Low83 Ų83176.1 Ų176.186%0.85686%0.864SS**  trans-120.795.2168.100000109.8
246E54.3Low57.9Low184 Ų184175 Ų17586%0.8686%0.862SS**  trans-78.5132.4152.8-73.2-177.3155.900107.9
247D69.4Low58.6Low165 Ų165173.6 Ų173.688%0.88286%0.864SS**  trans-145.9143.9153.7-93.8-36.7000109.2
248D64Low59.1Low152 Ų152168.9 Ų168.981%0.81386%0.863SS**  trans-70.7147.3-157.1-66.3-67.7000117.2
249D62.6Low59.6Low242 Ų242166.7 Ų166.7100%1.29487%0.866SS**  -169.50123.3-103.8-27.3000111.9

Retrieved 249 of 249 residues in 191.4 ms (Link to these results)

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