A0A087XQW0_POEFO Loading...

Acidic leucine-rich nuclear phosphoprotein 32 family member

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

AlphaFold DB , UniProt , Accession A0A087XQW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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
1M86.7Confident92.6Very high123 Ų12372.6 Ų72.661%0.60634%0.339SS*.  0139.10177.2-177.8-79.900108.2K5 R6 L9 C27 R28M1-K5 HydrophobicContact CG-CB 4.14Å; M1-R6 HydrophobicContact SD-CB 4.09Å; M1-L9 HydrophobicContact CE-CD1 3.43Å; M1-L9 VanDerWaalsContact CE-CD1 3.43Å; M1-L9 HydrophobicContact SD-CD1 3.56Å; M1-L9 VanDerWaalsContact SD-CD1 3.56Å; M1-C27 CarbonylContact O-C 3.53Å; M1-C27 WeakPolarHBondContact O-CA 3.04Å; M1-R28 PolarHBondContact O-N 3.46Å
2D93.1Very high92.2Very high56 Ų5682.8 Ų82.830%0.29937%0.372SS..BIsolated β-bridgetrans-69145179.5-53.9-47000111.4K4 K5 R6D2-K4 PolarHBondContact O-N 3.3Å; D2-K5 HydrophobicContact CB-CD 4.25Å; D2-K5 HydrophobicContact CB-CG 4.36Å; D2-K5 WeakPolarHBondContact O-CB 3.34Å; D2-K5 PolarHBondContact O-N 3.15Å; D2-K5 VanDerWaalsContact O-N 3.1Å; D2-K5 WeakPolarHBondContact OD2-CE 3.36Å; D2-K5 IonicContact OD2-NZ 3.7Å; D2-K5 PolarHBondContact OD2-NZ 3.35Å; D2-R6 PolarHBondContact O-N 3.06Å
3M94Very high91.7Very high2 Ų289.6 Ų89.61%0.0141%0.414CS..Hα-helixtrans-53.9-46.7-178.6-174.4175.2-76.800112.9K5 R6 I7 L24 R28 I34 E35 V52 L54M3-K5 VanDerWaalsContact C-N 3.31Å; M3-K5 PolarHBondContact O-N 3.25Å; M3-R6 WeakPolarHBondContact O-CA 3.5Å; M3-R6 WeakPolarHBondContact O-CB 3.26Å; M3-R6 PolarHBondContact O-N 3.43Å; M3-I7 HydrophobicContact CG-CD1 4.11Å; M3-I7 WeakPolarHBondContact O-CG1 3.39Å; M3-I7 PolarHBondContact O-N 2.99Å; M3-L24 HydrophobicContact CG-CD1 4.26Å; M3-R28 PolarHBondContact N-O 2.64Å; M3-I34 HydrophobicContact SD-CG2 4.31Å; M3-E35 WeakPolarHBondContact CG-O 3.46Å; M3-E35 PolarHBondContact SD-N 3.27Å; M3-V52 HydrophobicContact CE-CB 4.21Å; M3-V52 HydrophobicContact CE-CG2 3.73Å; M3-L54 HydrophobicContact CE-CD2 4.44Å
4K92.8Very high91.6Very high118 Ų11891.7 Ų91.751%0.51342%0.416SS..Hα-helixtrans-58.8-41177.8-64.7-178-175.6172.90113D2 R6 I7 H8 E35D2-K4 PolarHBondContact O-N 3.3Å; K4-R6 VanDerWaalsContact C-N 3.33Å; K4-I7 PolarHBondContact O-N 3.28Å; K4-H8 PolarHBondContact O-N 2.8Å; K4-H8 VanDerWaalsContact O-N 3.1Å; K4-E35 VanDerWaalsContact CE-OE2 3.3Å; K4-E35 WeakPolarHBondContact CE-OE2 3.12Å; K4-E35 HydrophobicContact CG-CB 4.2Å; K4-E35 IonicContact NZ-OE2 2.67Å
5K93.3Very high91.7Very high125 Ų12590.1 Ų90.154%0.54342%0.416SS..Hα-helixtrans-67-38.7176.9-69175.5-178152.60110.6M1 D2 M3 H8 L9M1-K5 HydrophobicContact CG-CB 4.14Å; D2-K5 HydrophobicContact CB-CD 4.25Å; D2-K5 HydrophobicContact CB-CG 4.36Å; D2-K5 WeakPolarHBondContact O-CB 3.34Å; D2-K5 PolarHBondContact O-N 3.15Å; D2-K5 VanDerWaalsContact O-N 3.1Å; D2-K5 WeakPolarHBondContact OD2-CE 3.36Å; D2-K5 IonicContact OD2-NZ 3.7Å; D2-K5 PolarHBondContact OD2-NZ 3.35Å; M3-K5 VanDerWaalsContact C-N 3.31Å; M3-K5 PolarHBondContact O-N 3.25Å; K5-H8 PolarHBondContact O-N 3.37Å; K5-L9 WeakPolarHBondContact O-CG 3.38Å; K5-L9 PolarHBondContact O-N 3.33Å; K5-L9 VanDerWaalsContact O-N 3.09Å
6R94.8Very high91.8Very high69 Ų6986.4 Ų86.426%0.2640%0.402SS..Hα-helixtrans-63.1-47176.1-174.460.5-176.2-106.15.4111.5M1 D2 M3 K4 H8 L9 E10 L24 C27M1-R6 HydrophobicContact SD-CB 4.09Å; D2-R6 PolarHBondContact O-N 3.06Å; M3-R6 WeakPolarHBondContact O-CA 3.5Å; M3-R6 WeakPolarHBondContact O-CB 3.26Å; M3-R6 PolarHBondContact O-N 3.43Å; K4-R6 VanDerWaalsContact C-N 3.33Å; R6-H8 VanDerWaalsContact C-N 3.33Å; R6-H8 PolarHBondContact O-N 3.37Å; R6-L9 WeakPolarHBondContact O-CB 3.37Å; R6-L9 PolarHBondContact O-N 3.16Å; R6-L9 VanDerWaalsContact O-N 3.11Å; R6-E10 HydrophobicContact CG-CG 4.39Å; R6-E10 IonicContact CZ-OE1 2.76Å; R6-E10 IonicContact NE-OE1 2.93Å; R6-E10 PolarHBondContact NE-OE1 2.77Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 3.38Å; R6-E10 WeakPolarHBondContact O-CG 3.22Å; R6-E10 PolarHBondContact O-N 3.28Å; R6-L24 HydrophobicContact CB-CD2 4.39Å; R6-L24 HydrophobicContact CG-CD2 3.9Å; R6-C27 HydrophobicContact CB-CB 4.21Å; R6-C27 HydrophobicContact CG-CB 4.47Å
7I94.1Very high91.9Very high9 Ų983.6 Ų83.65%0.04640%0.395CS..Hα-helixtrans-55.6-49.4176.1-66.6165.7000110.5M3 K4 L9 E10 L11 L24 E35 L37 F41M3-I7 HydrophobicContact CG-CD1 4.11Å; M3-I7 WeakPolarHBondContact O-CG1 3.39Å; M3-I7 PolarHBondContact O-N 2.99Å; K4-I7 PolarHBondContact O-N 3.28Å; I7-L9 VanDerWaalsContact C-N 3.28Å; I7-L9 PolarHBondContact O-N 2.85Å; I7-E10 PolarHBondContact O-N 2.89Å; I7-E10 VanDerWaalsContact O-N 3.14Å; I7-L11 HydrophobicContact CG2-CD1 4.1Å; I7-L11 HydrophobicContact CG2-CG 4.41Å; I7-L11 WeakPolarHBondContact O-CG 3.41Å; I7-L11 PolarHBondContact O-N 3Å; I7-L24 HydrophobicContact CD1-CD1 4.13Å; I7-L24 HydrophobicContact CG1-CD1 3.85Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.39Å; I7-E35 VanDerWaalsContact CD1-O 3.31Å; I7-E35 WeakPolarHBondContact CD1-O 3.28Å; I7-L37 HydrophobicContact CD1-CD2 3.87Å; I7-L37 HydrophobicContact CD1-CG 4.11Å; I7-L37 HydrophobicContact CG1-CD2 4.41Å; I7-F41 HydrophobicContact CG2-CZ 3.93Å
8H93.1Very high91.9Very high140 Ų14085.1 Ų85.165%0.64841%0.406SS*.Hα-helixtrans-58.1-39.2178.2-176.971000113K4 K5 R6K4-H8 PolarHBondContact O-N 2.8Å; K4-H8 VanDerWaalsContact O-N 3.1Å; K5-H8 PolarHBondContact O-N 3.37Å; R6-H8 VanDerWaalsContact C-N 3.33Å; R6-H8 PolarHBondContact O-N 3.37Å
9L93.3Very high92.1Very high93 Ų9380.6 Ų80.649%0.48738%0.384SS..Hα-helixtrans-69.8-36176.6-70.9169.6000113.2M1 K5 R6 I7 L11 R12M1-L9 HydrophobicContact CE-CD1 3.43Å; M1-L9 VanDerWaalsContact CE-CD1 3.43Å; M1-L9 HydrophobicContact SD-CD1 3.56Å; M1-L9 VanDerWaalsContact SD-CD1 3.56Å; K5-L9 WeakPolarHBondContact O-CG 3.38Å; K5-L9 PolarHBondContact O-N 3.33Å; K5-L9 VanDerWaalsContact O-N 3.09Å; R6-L9 WeakPolarHBondContact O-CB 3.37Å; R6-L9 PolarHBondContact O-N 3.16Å; R6-L9 VanDerWaalsContact O-N 3.11Å; I7-L9 VanDerWaalsContact C-N 3.28Å; I7-L9 PolarHBondContact O-N 2.85Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-R12 WeakPolarHBondContact O-CG 3.24Å
10E92.6Very high92.2Very high40 Ų4082.4 Ų82.419%0.18739%0.39CS..Hα-helixtrans-72-29.9177.9-68-57158.500112.5R6 I7 R12 R14 L22R6-E10 HydrophobicContact CG-CG 4.39Å; R6-E10 IonicContact CZ-OE1 2.76Å; R6-E10 IonicContact NE-OE1 2.93Å; R6-E10 PolarHBondContact NE-OE1 2.77Å; R6-E10 IonicContact NH2-OE1 2.72Å; R6-E10 PolarHBondContact NH2-OE1 3.38Å; R6-E10 WeakPolarHBondContact O-CG 3.22Å; R6-E10 PolarHBondContact O-N 3.28Å; I7-E10 PolarHBondContact O-N 2.89Å; I7-E10 VanDerWaalsContact O-N 3.14Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 2.84Å; E10-R14 PolarHBondContact O-NH2 3Å; E10-L22 HydrophobicContact CB-CD1 3.62Å; E10-L22 HydrophobicContact CG-CD1 4.06Å
11L91.4Very high92.4Very high24 Ų2483.5 Ų83.513%0.12640%0.395CS..Hα-helixtrans-64.9-36.4178-70.9174.6000112I7 L9 N13 R14 P16 V19 F41I7-L11 HydrophobicContact CG2-CD1 4.1Å; I7-L11 HydrophobicContact CG2-CG 4.41Å; I7-L11 WeakPolarHBondContact O-CG 3.41Å; I7-L11 PolarHBondContact O-N 3Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 2.87Å; L11-N13 VanDerWaalsContact O-N 3.16Å; L11-R14 WeakPolarHBondContact O-CA 3.45Å; L11-R14 WeakPolarHBondContact O-CB 3.32Å; L11-R14 VanDerWaalsContact O-CG 3.27Å; L11-R14 WeakPolarHBondContact O-CG 3.47Å; L11-R14 PolarHBondContact O-N 3.39Å; L11-R14 PolarHBondContact O-NE 3.46Å; L11-P16 HydrophobicContact CD1-CG 4.16Å; L11-P16 HydrophobicContact CD2-CG 4.42Å; L11-V19 HydrophobicContact CD2-CG2 3.67Å; L11-F41 HydrophobicContact CD2-CE1 4.09Å
12R87.3Confident92.9Very high195 Ų19577.7 Ų77.774%0.73637%0.367SS*.THydrogen-bonded Turntrans45.445.1178.4-58.3-171.5-178.6-1772.5113.5L9 E10 R14L9-R12 WeakPolarHBondContact O-CG 3.24Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 2.84Å; R12-R14 VanDerWaalsContact C-N 3.26Å; R12-R14 PolarHBondContact O-N 3.42Å
13N85.7Confident93Very high171 Ų17177 Ų7791%0.91436%0.364SS*.THydrogen-bonded Turntrans71.16.1-175.4-48.3-37.1000116.3L11L11-N13 PolarHBondContact O-N 2.87Å; L11-N13 VanDerWaalsContact O-N 3.16Å
14R90.9Very high93.1Very high119 Ų11976.9 Ų76.945%0.44936%0.364SS..  trans-73148.8166.4-60178.7-70.1173.60.3110.1E10 L11 R12E10-R14 PolarHBondContact O-NH2 3Å; L11-R14 WeakPolarHBondContact O-CA 3.45Å; L11-R14 WeakPolarHBondContact O-CB 3.32Å; L11-R14 VanDerWaalsContact O-CG 3.27Å; L11-R14 WeakPolarHBondContact O-CG 3.47Å; L11-R14 PolarHBondContact O-N 3.39Å; L11-R14 PolarHBondContact O-NE 3.46Å; R12-R14 VanDerWaalsContact C-N 3.26Å; R12-R14 PolarHBondContact O-N 3.42Å
15T92.6Very high93.3Very high68 Ų6872.8 Ų72.842%0.41735%0.348SS..  trans-69.6140.5167.543.10000109.4S17 D18T15-S17 WeakPolarHBondContact CB-OG 3.3Å; T15-S17 PolarHBondContact O-N 3.5Å; T15-S17 VanDerWaalsContact O-N 3.16Å; T15-S17 PolarHBondContact OG1-OG 3.02Å; T15-D18 PolarHBondContact O-N 2.95Å; T15-D18 PolarHBondContact OG1-OD1 2.84Å; T15-D18 PolarHBondContact OG1-OD2 3.19Å
16P93.1Very high93.4Very high30 Ų3072.3 Ų72.320%0.19535%0.351CS..G310 helixtrans-54.9-30175.2-28.136000113.9L11 D18 V19 E40 F41L11-P16 HydrophobicContact CD1-CG 4.16Å; L11-P16 HydrophobicContact CD2-CG 4.42Å; P16-D18 VanDerWaalsContact C-N 3.27Å; P16-D18 PolarHBondContact O-N 2.91Å; P16-V19 PolarHBondContact O-N 3.47Å; P16-E40 CarbonylContact C-O 3.47Å; P16-E40 HydrophobicContact CB-CB 4.04Å; P16-F41 HydrophobicContact CB-CD1 4.03Å; P16-F41 HydrophobicContact CB-CD2 4.19Å; P16-F41 HydrophobicContact CB-CE1 3.89Å; P16-F41 HydrophobicContact CB-CE2 4.05Å; P16-F41 HydrophobicContact CB-CG 4.19Å; P16-F41 HydrophobicContact CB-CZ 3.9Å; P16-F41 HydrophobicContact CG-CZ 4.43Å
17S93.8Very high93.3Very high40 Ų4069.4 Ų69.428%0.2834%0.341SS..G310 helixtrans-61-31.8179.256.50000113.6T15 E40 E43T15-S17 WeakPolarHBondContact CB-OG 3.3Å; T15-S17 PolarHBondContact O-N 3.5Å; T15-S17 VanDerWaalsContact O-N 3.16Å; T15-S17 PolarHBondContact OG1-OG 3.02Å; S17-E40 WeakPolarHBondContact CA-O 3.41Å; S17-E40 PolarHBondContact N-O 3.26Å; S17-E43 WeakPolarHBondContact O-CB 3.44Å; S17-E43 WeakPolarHBondContact O-CG 3.48Å
18D92.2Very high93.3Very high109 Ų10977.1 Ų77.158%0.58337%0.369SS*.G310 helixtrans-96.81.4-169.8-56.3-2000111.9T15 P16 K20T15-D18 PolarHBondContact O-N 2.95Å; T15-D18 PolarHBondContact OG1-OD1 2.84Å; T15-D18 PolarHBondContact OG1-OD2 3.19Å; P16-D18 VanDerWaalsContact C-N 3.27Å; P16-D18 PolarHBondContact O-N 2.91Å; D18-K20 PolarHBondContact O-N 3.03Å
19V94.8Very high93.3Very high0 Ų071 Ų710%034%0.343CS..  trans-87.2113.1-175.1179.40000110.2L11 P16 E21 L22 E43 L44L11-V19 HydrophobicContact CD2-CG2 3.67Å; P16-V19 PolarHBondContact O-N 3.47Å; V19-E21 WeakPolarHBondContact CG1-O 3.2Å; V19-L22 HydrophobicContact CG1-CB 4.39Å; V19-E43 CarbonylContact O-C 3.58Å; V19-L44 HydrophobicContact CG1-CD1 4.17Å; V19-L44 VanDerWaalsContact O-CA 3.24Å; V19-L44 WeakPolarHBondContact O-CA 3.45Å; V19-L44 PolarHBondContact O-N 2.8Å
20K95.3Very high93.3Very high117 Ų11769.7 Ų69.751%0.50934%0.336SS..SBendtrans-86.3-27.6175.2-61.2-167.8170.9-149.60114.5D18 E43 E45 F46D18-K20 PolarHBondContact O-N 3.03Å; K20-E43 WeakPolarHBondContact CA-O 3.45Å; K20-E43 HydrophobicContact CG-CB 4.49Å; K20-E45 IonicContact NZ-OE1 2.84Å; K20-E45 PolarHBondContact NZ-OE1 2.96Å; K20-E45 PolarHBondContact O-N 2.84Å; K20-F46 PolarHBondContact O-N 3.36Å
21E95.9Very high93.2Very high105 Ų10575.1 Ų75.149%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-132.6130.9-175.7-167-169.9149.600110.1V19 F46V19-E21 WeakPolarHBondContact CG1-O 3.2Å; E21-F46 HydrophobicContact CG-CB 4.01Å; E21-F46 HydrophobicContact CG-CD1 3.35Å; E21-F46 HydrophobicContact CG-CE1 4.12Å; E21-F46 HydrophobicContact CG-CG 3.98Å
22L96.4Very high93.3Very high2 Ų274.3 Ų74.31%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-136.4120.3176.8-172.262.4000111.5E10 V19 L24 L37 F41 L44 F46 L47 S48E10-L22 HydrophobicContact CB-CD1 3.62Å; E10-L22 HydrophobicContact CG-CD1 4.06Å; V19-L22 HydrophobicContact CG1-CB 4.39Å; L22-L24 HydrophobicContact CD1-CD2 3.99Å; L22-L24 HydrophobicContact CD2-CD1 4.12Å; L22-L24 HydrophobicContact CD2-CD2 4.25Å; L22-L24 HydrophobicContact CD2-CG 4.27Å; L22-L24 HydrophobicContact CG-CD1 4.38Å; L22-L24 HydrophobicContact CG-CD2 3.91Å; L22-L24 HydrophobicContact CG-CG 3.99Å; L22-L37 HydrophobicContact CD2-CD2 3.52Å; L22-F41 HydrophobicContact CD2-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CE1 3.96Å; L22-F41 HydrophobicContact CD2-CZ 4.46Å; L22-L44 HydrophobicContact CB-CD1 3.66Å; L22-F46 PolarHBondContact N-O 3.45Å; L22-L47 HydrophobicContact CB-CD1 4.19Å; L22-L47 HydrophobicContact CD2-CD1 4.25Å; L22-L47 HydrophobicContact CG-CD1 4.34Å; L22-L47 WeakPolarHBondContact O-CA 3.36Å; L22-S48 PolarHBondContact O-N 2.95Å
23V96.5Very high93.6Very high40 Ų4068.2 Ų68.224%0.24234%0.338CS..EExtended strand (participates in β ladder)trans-110.4114.7178.9-179.60000109.9D25 F46V23-D25 HydrophobicContact CG1-CB 4.22Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.28Å; V23-F46 HydrophobicContact CG2-CE1 4.09Å
24L95.8Very high93.9Very high0 Ų060.5 Ų60.50%030%0.296CS..  trans-115.119.4-177.9-56.1-179000112.5M3 R6 I7 L22 C27 L37 L47 S48 T49 V52M3-L24 HydrophobicContact CG-CD1 4.26Å; R6-L24 HydrophobicContact CB-CD2 4.39Å; R6-L24 HydrophobicContact CG-CD2 3.9Å; I7-L24 HydrophobicContact CD1-CD1 4.13Å; I7-L24 HydrophobicContact CG1-CD1 3.85Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.39Å; L22-L24 HydrophobicContact CD1-CD2 3.99Å; L22-L24 HydrophobicContact CD2-CD1 4.12Å; L22-L24 HydrophobicContact CD2-CD2 4.25Å; L22-L24 HydrophobicContact CD2-CG 4.27Å; L22-L24 HydrophobicContact CG-CD1 4.38Å; L22-L24 HydrophobicContact CG-CD2 3.91Å; L22-L24 HydrophobicContact CG-CG 3.99Å; L24-C27 WeakPolarHBondContact O-CB 3.46Å; L24-C27 PolarHBondContact O-N 3.48Å; L24-C27 PolarHBondContact O-SG 2.84Å; L24-L37 HydrophobicContact CD1-CD1 4.42Å; L24-L37 HydrophobicContact CD1-CD2 4.31Å; L24-L47 HydrophobicContact CD1-CD1 4.18Å; L24-L47 HydrophobicContact CG-CD1 4.49Å; L24-S48 WeakPolarHBondContact CA-O 3.38Å; L24-S48 WeakPolarHBondContact CB-O 3.32Å; L24-S48 PolarHBondContact N-O 2.91Å; L24-T49 HydrophobicContact CB-CG2 4.08Å; L24-T49 HydrophobicContact CD1-CG2 4.17Å; L24-V52 WeakPolarHBondContact O-CG1 3.28Å
25D96.4Very high94Very high33 Ų3357.2 Ų57.218%0.17629%0.286CS..THydrogen-bonded Turntrans-60.4148.4-174.2-57.7-14.8000112.8V23 C27 S48 T49 I50V23-D25 HydrophobicContact CG1-CB 4.22Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.28Å; D25-C27 PolarHBondContact O-N 3.17Å; D25-S48 VanDerWaalsContact CG-OG 3.32Å; D25-S48 VanDerWaalsContact OD1-C 3.31Å; D25-S48 WeakPolarHBondContact OD1-CB 3.27Å; D25-S48 PolarHBondContact OD1-OG 3.48Å; D25-S48 PolarHBondContact OD2-OG 3.28Å; D25-T49 PolarHBondContact OD1-N 3.08Å; D25-I50 WeakPolarHBondContact CA-O 3.41Å; D25-I50 HydrophobicContact CB-CB 4.26Å; D25-I50 PolarHBondContact OD1-N 2.97Å
26N95.3Very high94Very high114 Ų11455.7 Ų55.761%0.6128%0.284SS*.THydrogen-bonded Turntrans56.520.5177.5-54.4-78.2000113.6I50 N51N26-I50 PolarHBondContact N-O 2.87Å; N26-N51 PolarHBondContact OD1-ND2 2.86Å; N26-N51 VanDerWaalsContact OD1-ND2 3.08Å
27C94.3Very high94Very high8 Ų855 Ų555%0.05428%0.279CS..  trans-84175.2166.883.30000111.1M1 R6 L24 D25 V52M1-C27 CarbonylContact O-C 3.53Å; M1-C27 WeakPolarHBondContact O-CA 3.04Å; R6-C27 HydrophobicContact CB-CB 4.21Å; R6-C27 HydrophobicContact CG-CB 4.47Å; L24-C27 WeakPolarHBondContact O-CB 3.46Å; L24-C27 PolarHBondContact O-N 3.48Å; L24-C27 PolarHBondContact O-SG 2.84Å; D25-C27 PolarHBondContact O-N 3.17Å; C27-V52 VanDerWaalsContact O-CA 3.26Å; C27-V52 WeakPolarHBondContact O-CA 3.18Å; C27-V52 WeakPolarHBondContact O-CB 3.36Å; C27-V52 VanDerWaalsContact SG-CG1 3.53Å
28R93.8Very high94Very high171 Ų17155.8 Ų55.865%0.64528%0.282SS*.BIsolated β-bridgetrans-110.1119.4176.2-173.9177.7-70.4-179.5-1.9109.4M1 M3M1-R28 PolarHBondContact O-N 3.46Å; M3-R28 PolarHBondContact N-O 2.64Å
29S93.4Very high94Very high12 Ų1255 Ų558%0.08428%0.277CS..  trans-77.9147163.659.50000110.7G32 K33 V52S29-G32 WeakPolarHBondContact OG-CA 3.48Å; S29-K33 VanDerWaalsContact CB-O 3.24Å; S29-K33 WeakPolarHBondContact CB-O 3.44Å; S29-V52 WeakPolarHBondContact CB-O 2.97Å; S29-V52 PolarHBondContact N-O 3.05Å; S29-V52 VanDerWaalsContact N-O 3.08Å; S29-V52 PolarHBondContact OG-O 2.83Å
30N91.9Very high94Very high66 Ų6660.7 Ų60.735%0.35330%0.304SS..BIsolated β-bridgetrans-88.4130170.9-68.3-41.6000108.7G32 K33 E35N30-G32 PolarHBondContact O-N 2.91Å; N30-K33 PolarHBondContact O-N 3.12Å; N30-E35 WeakPolarHBondContact CB-OE1 3.4Å; N30-E35 PolarHBondContact ND2-OE2 3.26Å
31E91.4Very high94Very high154 Ų15455.3 Ų55.372%0.7228%0.28SS*.THydrogen-bonded Turntrans55.418.8-178.5-53.4-176.3163.200115.2K33E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 HydrophobicContact CB-CD 4.3Å; E31-K33 IonicContact OE2-NZ 2.74Å; E31-K33 PolarHBondContact OE2-NZ 3.24Å
32G91.9Very high93.9Very high7 Ų756.3 Ų56.37%0.07229%0.285CS..THydrogen-bonded Turntrans72.924.5-175.600000114.3S29 N30 G53 L54 T55S29-G32 WeakPolarHBondContact OG-CA 3.48Å; N30-G32 PolarHBondContact O-N 2.91Å; G32-G53 VanDerWaalsContact CA-O 3.25Å; G32-G53 WeakPolarHBondContact CA-O 3.17Å; G32-L54 WeakPolarHBondContact O-CA 3.19Å; G32-T55 PolarHBondContact O-N 3.37Å; G32-T55 PolarHBondContact O-OG1 3.33Å
33K94.3Very high93.8Very high66 Ų6658.9 Ų58.929%0.28730%0.297SS..BIsolated β-bridgetrans-113.4148.1-179.2-60.7170.1178.81600111.4S29 N30 E31 T56 H59S29-K33 VanDerWaalsContact CB-O 3.24Å; S29-K33 WeakPolarHBondContact CB-O 3.44Å; N30-K33 PolarHBondContact O-N 3.12Å; E31-K33 VanDerWaalsContact C-N 3.34Å; E31-K33 HydrophobicContact CB-CD 4.3Å; E31-K33 IonicContact OE2-NZ 2.74Å; E31-K33 PolarHBondContact OE2-NZ 3.24Å; K33-T56 HydrophobicContact CG-CG2 4.34Å; K33-H59 WeakPolarHBondContact CD-NE2 3.35Å
34I93.1Very high93.8Very high9 Ų957 Ų575%0.04629%0.286CS..  trans-70.1134.5171.2-67.7176.3000109.2M3 L37 L54 H59 L60M3-I34 HydrophobicContact SD-CG2 4.31Å; I34-L37 HydrophobicContact CG2-CB 4.04Å; I34-L37 HydrophobicContact CG2-CD1 3.71Å; I34-L37 HydrophobicContact CG2-CG 3.99Å; I34-L54 HydrophobicContact CD1-CD1 4.04Å; I34-L54 HydrophobicContact CG1-CD1 3.8Å; I34-L54 HydrophobicContact CG1-CD2 3.68Å; I34-L54 HydrophobicContact CG1-CG 4.41Å; I34-H59 HydrophobicContact CB-CB 4.44Å; I34-L60 HydrophobicContact CD1-CD2 3.3Å; I34-L60 HydrophobicContact CD1-CG 3.62Å
35E92.8Very high93.9Very high51 Ų5158.6 Ų58.624%0.23829%0.293CS..  trans-139.3143.4179.5-60.5-167.2156.600111.8M3 K4 I7 N30 L37M3-E35 WeakPolarHBondContact CG-O 3.46Å; M3-E35 PolarHBondContact SD-N 3.27Å; K4-E35 VanDerWaalsContact CE-OE2 3.3Å; K4-E35 WeakPolarHBondContact CE-OE2 3.12Å; K4-E35 HydrophobicContact CG-CB 4.2Å; K4-E35 IonicContact NZ-OE2 2.67Å; I7-E35 VanDerWaalsContact CD1-O 3.31Å; I7-E35 WeakPolarHBondContact CD1-O 3.28Å; N30-E35 WeakPolarHBondContact CB-OE1 3.4Å; N30-E35 PolarHBondContact ND2-OE2 3.26Å; E35-L37 PolarHBondContact O-N 2.9Å
36G90.9Very high94Very high35 Ų3559 Ų5936%0.36129%0.294SS..SBendtrans84.9-9.5176.700000114.5
37L93.3Very high94.1Very high17 Ų1753.6 Ų53.69%0.08927%0.265CS..  trans-80.8135.6164.1-63.1-176.7000109.7I7 L22 L24 I34 E35 F41 L47 P61I7-L37 HydrophobicContact CD1-CD2 3.87Å; I7-L37 HydrophobicContact CD1-CG 4.11Å; I7-L37 HydrophobicContact CG1-CD2 4.41Å; L22-L37 HydrophobicContact CD2-CD2 3.52Å; L24-L37 HydrophobicContact CD1-CD1 4.42Å; L24-L37 HydrophobicContact CD1-CD2 4.31Å; I34-L37 HydrophobicContact CG2-CB 4.04Å; I34-L37 HydrophobicContact CG2-CD1 3.71Å; I34-L37 HydrophobicContact CG2-CG 3.99Å; E35-L37 PolarHBondContact O-N 2.9Å; L37-F41 HydrophobicContact CD2-CD2 4.29Å; L37-F41 HydrophobicContact CD2-CE2 3.97Å; L37-F41 HydrophobicContact CD2-CZ 4.1Å; L37-L47 HydrophobicContact CD1-CD1 4.21Å; L37-L47 HydrophobicContact CD1-CD2 3.77Å; L37-P61 HydrophobicContact CB-CG 3.8Å
38T93.8Very high94.3Very high56 Ų5653.4 Ų53.434%0.34426%0.263SS..  trans-129.2173.8-179.459.20000109.7E40 F41 P61T38-E40 PolarHBondContact O-N 3.21Å; T38-E40 WeakPolarHBondContact OG1-CB 3.47Å; T38-E40 PolarHBondContact OG1-N 3.26Å; T38-E40 PolarHBondContact OG1-OE2 3.25Å; T38-F41 WeakPolarHBondContact O-CD2 3.34Å; T38-P61 WeakPolarHBondContact O-CB 3.49Å; T38-P61 WeakPolarHBondContact O-CG 3.48Å
39D92.8Very high94.4Very high92 Ų9245.3 Ų45.349%0.49223%0.233SC..THydrogen-bonded Turntrans-71.3-1.8174.3-62.9-18.9000112.3F41 P61 K62D39-F41 VanDerWaalsContact C-N 3.26Å; D39-F41 PolarHBondContact O-N 2.8Å; D39-P61 VanDerWaalsContact OD1-CA 3.31Å; D39-P61 WeakPolarHBondContact OD1-CA 3.34Å; D39-P61 WeakPolarHBondContact OD1-CB 3.4Å; D39-K62 PolarHBondContact OD1-N 2.9Å
40E94.4Very high94.6Very high119 Ų11946.7 Ų46.756%0.55624%0.239SC*.THydrogen-bonded Turntrans-73.8-15.1178.8-59.6176.3154.500113.3P16 S17 T38 E42P16-E40 CarbonylContact C-O 3.47Å; P16-E40 HydrophobicContact CB-CB 4.04Å; S17-E40 WeakPolarHBondContact CA-O 3.41Å; S17-E40 PolarHBondContact N-O 3.26Å; T38-E40 PolarHBondContact O-N 3.21Å; T38-E40 WeakPolarHBondContact OG1-CB 3.47Å; T38-E40 PolarHBondContact OG1-N 3.26Å; T38-E40 PolarHBondContact OG1-OE2 3.25Å; E40-E42 PolarHBondContact O-N 3.12Å
41F95.2Very high94.8Very high4 Ų447.6 Ų47.62%0.01824%0.243CC..  trans-8058.6176.9-68.2-91.9000110.7I7 L11 P16 L22 L37 T38 D39 L44 L63I7-F41 HydrophobicContact CG2-CZ 3.93Å; L11-F41 HydrophobicContact CD2-CE1 4.09Å; P16-F41 HydrophobicContact CB-CD1 4.03Å; P16-F41 HydrophobicContact CB-CD2 4.19Å; P16-F41 HydrophobicContact CB-CE1 3.89Å; P16-F41 HydrophobicContact CB-CE2 4.05Å; P16-F41 HydrophobicContact CB-CG 4.19Å; P16-F41 HydrophobicContact CB-CZ 3.9Å; P16-F41 HydrophobicContact CG-CZ 4.43Å; L22-F41 HydrophobicContact CD2-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CE1 3.96Å; L22-F41 HydrophobicContact CD2-CZ 4.46Å; L37-F41 HydrophobicContact CD2-CD2 4.29Å; L37-F41 HydrophobicContact CD2-CE2 3.97Å; L37-F41 HydrophobicContact CD2-CZ 4.1Å; T38-F41 WeakPolarHBondContact O-CD2 3.34Å; D39-F41 VanDerWaalsContact C-N 3.26Å; D39-F41 PolarHBondContact O-N 2.8Å; F41-L44 HydrophobicContact CB-CB 4.09Å; F41-L44 HydrophobicContact CB-CD2 4.28Å; F41-L44 WeakPolarHBondContact O-CB 3.27Å; F41-L44 PolarHBondContact O-N 3.41Å; F41-L63 HydrophobicContact CB-CD2 3.89Å
42E93.5Very high95.1Very high126 Ų12640.5 Ų40.559%0.58921%0.211SC*.THydrogen-bonded Turntrans-68-36.6-169.9-63.9-172.9173.400113E40 K65E40-E42 PolarHBondContact O-N 3.12Å; E42-K65 WeakPolarHBondContact O-CB 3.19Å; E42-K65 WeakPolarHBondContact O-CD 3.16Å
43E95.7Very high95.3Very high57 Ų5741.6 Ų41.627%0.26622%0.222SC..THydrogen-bonded Turntrans-89.55.8-179.8-60.7-60.1128.700114.3S17 V19 K20 E45 K65S17-E43 WeakPolarHBondContact O-CB 3.44Å; S17-E43 WeakPolarHBondContact O-CG 3.48Å; V19-E43 CarbonylContact O-C 3.58Å; K20-E43 WeakPolarHBondContact CA-O 3.45Å; K20-E43 HydrophobicContact CG-CB 4.49Å; E43-E45 PolarHBondContact O-N 3.07Å; E43-E45 VanDerWaalsContact O-N 3.17Å; E43-K65 IonicContact OE1-NZ 2.79Å; E43-K65 PolarHBondContact OE1-NZ 3.34Å; E43-K65 WeakPolarHBondContact OE2-CD 3.31Å; E43-K65 IonicContact OE2-NZ 3.05Å; E43-K65 PolarHBondContact OE2-NZ 2.97Å
44L96.9Very high95.4Very high0 Ų038.5 Ų38.50%021%0.209CC..  trans-69.3115.1-175.2-17069.8000111.3V19 L22 F41 F46 L47 L63 K65 L66V19-L44 HydrophobicContact CG1-CD1 4.17Å; V19-L44 VanDerWaalsContact O-CA 3.24Å; V19-L44 WeakPolarHBondContact O-CA 3.45Å; V19-L44 PolarHBondContact O-N 2.8Å; L22-L44 HydrophobicContact CB-CD1 3.66Å; F41-L44 HydrophobicContact CB-CB 4.09Å; F41-L44 HydrophobicContact CB-CD2 4.28Å; F41-L44 WeakPolarHBondContact O-CB 3.27Å; F41-L44 PolarHBondContact O-N 3.41Å; L44-F46 WeakPolarHBondContact CD1-O 3.24Å; L44-L47 HydrophobicContact CD2-CB 4.22Å; L44-L47 HydrophobicContact CD2-CD1 4.5Å; L44-L63 HydrophobicContact CD2-CD1 4.11Å; L44-L63 HydrophobicContact CD2-CD2 4.19Å; L44-K65 CarbonylContact O-C 3.54Å; L44-L66 HydrophobicContact CD2-CD1 4.26Å; L44-L66 HydrophobicContact CG-CD1 4.07Å; L44-L66 WeakPolarHBondContact O-CA 3.49Å; L44-L66 PolarHBondContact O-N 2.77Å
45E97.3Very high95.6Very high34 Ų3441.1 Ų41.116%0.15923%0.225CC..  trans-101.4-30.4-179.9-61.7-170.8-134.800112.1K20 E43 K67 K68K20-E45 IonicContact NZ-OE1 2.84Å; K20-E45 PolarHBondContact NZ-OE1 2.96Å; K20-E45 PolarHBondContact O-N 2.84Å; E43-E45 PolarHBondContact O-N 3.07Å; E43-E45 VanDerWaalsContact O-N 3.17Å; E45-K67 PolarHBondContact O-N 2.79Å; E45-K67 IonicContact OE2-NZ 3.99Å; E45-K67 PolarHBondContact OE2-NZ 3.04Å; E45-K68 PolarHBondContact O-N 3.26Å
46F97.7Very high95.7Very high42 Ų4240.1 Ų40.118%0.18422%0.223CC..EExtended strand (participates in β ladder)trans-130.4129.3-179.4176.7-86.2000112.1K20 E21 L22 V23 L44 K68 E70K20-F46 PolarHBondContact O-N 3.36Å; E21-F46 HydrophobicContact CG-CB 4.01Å; E21-F46 HydrophobicContact CG-CD1 3.35Å; E21-F46 HydrophobicContact CG-CE1 4.12Å; E21-F46 HydrophobicContact CG-CG 3.98Å; L22-F46 PolarHBondContact N-O 3.45Å; V23-F46 HydrophobicContact CG2-CE1 4.09Å; L44-F46 WeakPolarHBondContact CD1-O 3.24Å; F46-K68 WeakPolarHBondContact CA-O 3.29Å; F46-K68 HydrophobicContact CD2-CB 3.78Å; F46-K68 HydrophobicContact CD2-CD 3.69Å; F46-K68 HydrophobicContact CD2-CG 3.6Å; F46-K68 HydrophobicContact CE2-CB 4.43Å; F46-K68 HydrophobicContact CE2-CD 3.68Å; F46-K68 HydrophobicContact CE2-CG 3.73Å; F46-E70 HydrophobicContact CE2-CG 4.05Å; F46-E70 HydrophobicContact CZ-CG 4.05Å
47L97.6Very high95.9Very high0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-130.1123.1174.6177.460.4000110.3L22 L24 L37 L44 T49 L60 L63 L66 K68 L69 E70L22-L47 HydrophobicContact CB-CD1 4.19Å; L22-L47 HydrophobicContact CD2-CD1 4.25Å; L22-L47 HydrophobicContact CG-CD1 4.34Å; L22-L47 WeakPolarHBondContact O-CA 3.36Å; L24-L47 HydrophobicContact CD1-CD1 4.18Å; L24-L47 HydrophobicContact CG-CD1 4.49Å; L37-L47 HydrophobicContact CD1-CD1 4.21Å; L37-L47 HydrophobicContact CD1-CD2 3.77Å; L44-L47 HydrophobicContact CD2-CB 4.22Å; L44-L47 HydrophobicContact CD2-CD1 4.5Å; L47-T49 HydrophobicContact CD1-CG2 4.1Å; L47-T49 HydrophobicContact CG-CG2 4.22Å; L47-L60 HydrophobicContact CD2-CD2 4.15Å; L47-L63 HydrophobicContact CD2-CD1 4.19Å; L47-L66 HydrophobicContact CB-CD1 3.72Å; L47-L66 HydrophobicContact CB-CD2 4.48Å; L47-K68 PolarHBondContact N-O 3Å; L47-L69 HydrophobicContact CB-CD1 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.91Å; L47-L69 HydrophobicContact CG-CD1 3.99Å; L47-L69 WeakPolarHBondContact O-CA 3.41Å; L47-E70 PolarHBondContact O-N 2.99Å
48S97.8Very high96Very high4 Ų439.9 Ų39.93%0.02822%0.219CC..EExtended strand (participates in β ladder)trans-113.2127.7171.9-169.90000111.7L22 L24 D25 I50L22-S48 PolarHBondContact O-N 2.95Å; L24-S48 WeakPolarHBondContact CA-O 3.38Å; L24-S48 WeakPolarHBondContact CB-O 3.32Å; L24-S48 PolarHBondContact N-O 2.91Å; D25-S48 VanDerWaalsContact CG-OG 3.32Å; D25-S48 VanDerWaalsContact OD1-C 3.31Å; D25-S48 WeakPolarHBondContact OD1-CB 3.27Å; D25-S48 PolarHBondContact OD1-OG 3.48Å; D25-S48 PolarHBondContact OD2-OG 3.28Å; S48-I50 WeakPolarHBondContact OG-CD1 3.37Å; S48-I50 WeakPolarHBondContact OG-CG1 3.41Å
49T97Very high96Very high0 Ų041.7 Ų41.70%022%0.224CC..  trans-135.948.5179.849.40000110.6L24 D25 L47 E70 L71 N74L24-T49 HydrophobicContact CB-CG2 4.08Å; L24-T49 HydrophobicContact CD1-CG2 4.17Å; D25-T49 PolarHBondContact OD1-N 3.08Å; L47-T49 HydrophobicContact CD1-CG2 4.1Å; L47-T49 HydrophobicContact CG-CG2 4.22Å; T49-E70 PolarHBondContact N-O 2.79Å; T49-E70 PolarHBondContact OG1-O 2.9Å; T49-E70 VanDerWaalsContact OG1-O 3.1Å; T49-L71 WeakPolarHBondContact OG1-CD2 3.36Å; T49-N74 PolarHBondContact O-ND2 3.06Å
50I97.4Very high96.1Very high42 Ų4237.4 Ų37.422%0.21520%0.201CC..THydrogen-bonded Turntrans-75.2135-175-60.5170.1000110.6D25 N26 S48 V52 E70 S72 D73D25-I50 WeakPolarHBondContact CA-O 3.41Å; D25-I50 HydrophobicContact CB-CB 4.26Å; D25-I50 PolarHBondContact OD1-N 2.97Å; N26-I50 PolarHBondContact N-O 2.87Å; S48-I50 WeakPolarHBondContact OG-CD1 3.37Å; S48-I50 WeakPolarHBondContact OG-CG1 3.41Å; I50-V52 VanDerWaalsContact C-N 3.31Å; I50-V52 WeakPolarHBondContact O-CG1 3.31Å; I50-V52 PolarHBondContact O-N 2.67Å; I50-E70 HydrophobicContact CD1-CB 4.18Å; I50-E70 HydrophobicContact CG1-CB 4.07Å; I50-S72 WeakPolarHBondContact CA-O 3.29Å; I50-D73 HydrophobicContact CG2-CB 4.39Å
51N96.9Very high96.1Very high84 Ų8432.1 Ų32.145%0.44918%0.177SC..THydrogen-bonded Turntrans53.345.6175.1-174.535.2000113.2N26 S72 D73N26-N51 PolarHBondContact OD1-ND2 2.86Å; N26-N51 VanDerWaalsContact OD1-ND2 3.08Å; N51-S72 PolarHBondContact N-O 3.24Å; N51-D73 WeakPolarHBondContact CA-O 3.49Å; N51-D73 HydrophobicContact CB-CB 3.99Å
52V96.3Very high96.1Very high6 Ų636 Ų364%0.03619%0.194CC..SBendtrans-105.8-0.7178.1-460000113.4M3 L24 C27 S29 I50 L54 N74M3-V52 HydrophobicContact CE-CB 4.21Å; M3-V52 HydrophobicContact CE-CG2 3.73Å; L24-V52 WeakPolarHBondContact O-CG1 3.28Å; C27-V52 VanDerWaalsContact O-CA 3.26Å; C27-V52 WeakPolarHBondContact O-CA 3.18Å; C27-V52 WeakPolarHBondContact O-CB 3.36Å; C27-V52 VanDerWaalsContact SG-CG1 3.53Å; S29-V52 WeakPolarHBondContact CB-O 2.97Å; S29-V52 PolarHBondContact N-O 3.05Å; S29-V52 VanDerWaalsContact N-O 3.08Å; S29-V52 PolarHBondContact OG-O 2.83Å; I50-V52 VanDerWaalsContact C-N 3.31Å; I50-V52 WeakPolarHBondContact O-CG1 3.31Å; I50-V52 PolarHBondContact O-N 2.67Å; V52-L54 HydrophobicContact CG2-CD1 3.92Å; V52-L54 HydrophobicContact CG2-CD2 4.03Å; V52-L54 HydrophobicContact CG2-CG 3.49Å; V52-L54 VanDerWaalsContact CG2-CG 3.49Å; V52-N74 PolarHBondContact N-OD1 3.22Å
53G95.9Very high96.3Very high30 Ų3030 Ų3031%0.30917%0.166SC..  trans81.622.8175.900000114.6G32 N74G32-G53 VanDerWaalsContact CA-O 3.25Å; G32-G53 WeakPolarHBondContact CA-O 3.17Å; G53-N74 PolarHBondContact N-OD1 2.74Å
54L97Very high96.2Very high0 Ų034.1 Ų34.10%018%0.183CC..  trans-62.5140.1178.6-64.1175.9000111.5M3 G32 I34 V52 L71 N74 R75 I76M3-L54 HydrophobicContact CE-CD2 4.44Å; G32-L54 WeakPolarHBondContact O-CA 3.19Å; I34-L54 HydrophobicContact CD1-CD1 4.04Å; I34-L54 HydrophobicContact CG1-CD1 3.8Å; I34-L54 HydrophobicContact CG1-CD2 3.68Å; I34-L54 HydrophobicContact CG1-CG 4.41Å; V52-L54 HydrophobicContact CG2-CD1 3.92Å; V52-L54 HydrophobicContact CG2-CD2 4.03Å; V52-L54 HydrophobicContact CG2-CG 3.49Å; V52-L54 VanDerWaalsContact CG2-CG 3.49Å; L54-L71 HydrophobicContact CD1-CD2 3.77Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.2Å; L54-R75 CarbonylContact O-C 3.5Å; L54-R75 VanDerWaalsContact O-CA 3.32Å; L54-R75 WeakPolarHBondContact O-CA 3.21Å; L54-R75 PolarHBondContact O-N 3.09Å; L54-I76 HydrophobicContact CB-CD1 4.42Å; L54-I76 HydrophobicContact CB-CG1 4.31Å; L54-I76 PolarHBondContact O-N 2.83Å
55T96.6Very high96.2Very high64 Ų6438.6 Ų38.639%0.39320%0.202SC..SBendtrans-110.7-16.8171.457.10000111.6G32 R75G32-T55 PolarHBondContact O-N 3.37Å; G32-T55 PolarHBondContact O-OG1 3.33Å; T55-R75 HydrophobicContact CG2-CB 4.24Å
56T95.8Very high96.2Very high31 Ų3137 Ų3719%0.1920%0.195CC..  trans-151.9154.4-178-175.20000111.6K33 A58K33-T56 HydrophobicContact CG-CG2 4.34Å; T56-A58 HydrophobicContact CG2-CB 4.49Å; T56-A58 WeakPolarHBondContact OG1-CB 3.24Å; T56-A58 PolarHBondContact OG1-N 3.33Å; T56-A58 VanDerWaalsContact OG1-N 3.16Å
57V95.8Very high96.2Very high0 Ų037.7 Ų37.70%020%0.198CC..SBendtrans-104.14.9172.6-68.10000112.8H59 L60 L71 I76 G79 L80 V82 L83V57-H59 PolarHBondContact O-N 2.97Å; V57-L60 HydrophobicContact CB-CD1 3.94Å; V57-L60 HydrophobicContact CB-CG 4.49Å; V57-L60 HydrophobicContact CG1-CD1 4.39Å; V57-L60 WeakPolarHBondContact O-CB 3.48Å; V57-L60 PolarHBondContact O-N 3.42Å; V57-L71 HydrophobicContact CG1-CD1 3.7Å; V57-L71 HydrophobicContact CG1-CD2 4.12Å; V57-I76 HydrophobicContact CG1-CD1 3.86Å; V57-G79 WeakPolarHBondContact CG2-O 3.42Å; V57-L80 HydrophobicContact CG2-CD2 4.23Å; V57-V82 HydrophobicContact CB-CG2 4.41Å; V57-V82 HydrophobicContact CG2-CG2 3.72Å; V57-L83 HydrophobicContact CB-CD2 4.32Å; V57-L83 HydrophobicContact CG2-CD2 4.15Å; V57-L83 HydrophobicContact CG2-CG 4.28Å
58A94Very high96.2Very high46 Ų4638.4 Ų38.438%0.3820%0.201SC..THydrogen-bonded Turntrans-59-24-175.800000114.6T56T56-A58 HydrophobicContact CG2-CB 4.49Å; T56-A58 WeakPolarHBondContact OG1-CB 3.24Å; T56-A58 PolarHBondContact OG1-N 3.33Å; T56-A58 VanDerWaalsContact OG1-N 3.16Å
59H93.7Very high96.3Very high95 Ų9538.2 Ų38.244%0.4420%0.2SC..THydrogen-bonded Turntrans-92.710.2-178.7-64.5-75.6000113.7K33 I34 V57K33-H59 WeakPolarHBondContact CD-NE2 3.35Å; I34-H59 HydrophobicContact CB-CB 4.44Å; V57-H59 PolarHBondContact O-N 2.97Å
60L95.2Very high96.3Very high1 Ų139.7 Ų39.71%0.00521%0.206CC..  trans-62.4134.7170.8-79.8170.5000110.8I34 L47 V57 L63 L69 L83 K86I34-L60 HydrophobicContact CD1-CD2 3.3Å; I34-L60 HydrophobicContact CD1-CG 3.62Å; L47-L60 HydrophobicContact CD2-CD2 4.15Å; V57-L60 HydrophobicContact CB-CD1 3.94Å; V57-L60 HydrophobicContact CB-CG 4.49Å; V57-L60 HydrophobicContact CG1-CD1 4.39Å; V57-L60 WeakPolarHBondContact O-CB 3.48Å; V57-L60 PolarHBondContact O-N 3.42Å; L60-L63 HydrophobicContact CD2-CD1 4.42Å; L60-L69 HydrophobicContact CD1-CD2 4.24Å; L60-L83 HydrophobicContact CD1-CD2 3.65Å; L60-K86 HydrophobicContact CB-CB 4.36Å; L60-K86 HydrophobicContact CB-CG 4.35Å; L60-K86 VanDerWaalsContact O-CD 3.25Å; L60-K86 WeakPolarHBondContact O-CD 3.45Å; L60-K86 WeakPolarHBondContact O-CE 3.41Å; L60-K86 PolarHBondContact O-NZ 3.01Å
61P95.4Very high96.3Very high8 Ų837.7 Ų37.75%0.05220%0.196CC..  trans-68.1172.2165.429.2-32.4000111L37 T38 D39 L63L37-P61 HydrophobicContact CB-CG 3.8Å; T38-P61 WeakPolarHBondContact O-CB 3.49Å; T38-P61 WeakPolarHBondContact O-CG 3.48Å; D39-P61 VanDerWaalsContact OD1-CA 3.31Å; D39-P61 WeakPolarHBondContact OD1-CA 3.34Å; D39-P61 WeakPolarHBondContact OD1-CB 3.4Å; P61-L63 HydrophobicContact CG-CD1 4.27Å; P61-L63 HydrophobicContact CG-CD2 3.94Å; P61-L63 HydrophobicContact CG-CG 3.99Å; P61-L63 PolarHBondContact O-N 3.11Å
62K95.6Very high96.4Very high86 Ų8634.1 Ų34.137%0.37418%0.178SC..  trans-77.2105.3173.6-70.6-170.8177.2-121.90109.2D39 D85 K86D39-K62 PolarHBondContact OD1-N 2.9Å; K62-D85 WeakPolarHBondContact CE-OD2 3.05Å; K62-D85 VanDerWaalsContact NZ-CG 3.28Å; K62-D85 IonicContact NZ-OD1 3.45Å; K62-D85 PolarHBondContact NZ-OD1 3.28Å; K62-D85 IonicContact NZ-OD2 3.18Å; K62-D85 PolarHBondContact NZ-OD2 3.05Å; K62-K86 CarbonylContact C-O 3.41Å; K62-K86 WeakPolarHBondContact CA-O 3.43Å; K62-K86 HydrophobicContact CG-CD 3.88Å
63L96.4Very high96.4Very high1 Ų138.1 Ų38.11%0.00520%0.199CC..  trans-110.580.6-179.1-59172.3000109F41 L44 L47 L60 P61 K65 L66 K86F41-L63 HydrophobicContact CB-CD2 3.89Å; L44-L63 HydrophobicContact CD2-CD1 4.11Å; L44-L63 HydrophobicContact CD2-CD2 4.19Å; L47-L63 HydrophobicContact CD2-CD1 4.19Å; L60-L63 HydrophobicContact CD2-CD1 4.42Å; P61-L63 HydrophobicContact CG-CD1 4.27Å; P61-L63 HydrophobicContact CG-CD2 3.94Å; P61-L63 HydrophobicContact CG-CG 3.99Å; P61-L63 PolarHBondContact O-N 3.11Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.32Å; L63-L66 HydrophobicContact CB-CB 3.8Å; L63-L66 HydrophobicContact CB-CD2 4.4Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-L66 WeakPolarHBondContact O-CB 3Å; L63-L66 PolarHBondContact O-N 3.18Å; L63-K86 CarbonylContact C-O 3.56Å; L63-K86 PolarHBondContact N-O 2.97Å
64K94.6Very high96.5Very high143 Ų14336.9 Ų36.962%0.62219%0.185SC*.THydrogen-bonded Turntrans-66.2-30.5-171.1-64.2177.7-175.1169.40113.3N89K64-N89 PolarHBondContact O-ND2 2.89Å
65K96.8Very high96.6Very high94 Ų9445.1 Ų45.141%0.40922%0.216SC..THydrogen-bonded Turntrans-90.1-1.9179.6-72-174.6164.4179.70113.5E42 E43 L44 L63 K67E42-K65 WeakPolarHBondContact O-CB 3.19Å; E42-K65 WeakPolarHBondContact O-CD 3.16Å; E43-K65 IonicContact OE1-NZ 2.79Å; E43-K65 PolarHBondContact OE1-NZ 3.34Å; E43-K65 WeakPolarHBondContact OE2-CD 3.31Å; E43-K65 IonicContact OE2-NZ 3.05Å; E43-K65 PolarHBondContact OE2-NZ 2.97Å; L44-K65 CarbonylContact O-C 3.54Å; L63-K65 VanDerWaalsContact C-N 3.31Å; L63-K65 PolarHBondContact O-N 3.32Å; K65-K67 PolarHBondContact O-N 3.26Å
66L97.6Very high96.6Very high0 Ų042 Ų420%020%0.198CC..  trans-68119.7-177.2-166.576.6000110.8L44 L47 L63 L69 C87 N89 L90L44-L66 HydrophobicContact CD2-CD1 4.26Å; L44-L66 HydrophobicContact CG-CD1 4.07Å; L44-L66 WeakPolarHBondContact O-CA 3.49Å; L44-L66 PolarHBondContact O-N 2.77Å; L47-L66 HydrophobicContact CB-CD1 3.72Å; L47-L66 HydrophobicContact CB-CD2 4.48Å; L63-L66 HydrophobicContact CB-CB 3.8Å; L63-L66 HydrophobicContact CB-CD2 4.4Å; L63-L66 HydrophobicContact CD1-CD2 4.08Å; L63-L66 WeakPolarHBondContact O-CB 3Å; L63-L66 PolarHBondContact O-N 3.18Å; L66-L69 HydrophobicContact CD2-CB 4.15Å; L66-L69 HydrophobicContact CD2-CD1 4.37Å; L66-L69 HydrophobicContact CD2-CD2 4.4Å; L66-C87 HydrophobicContact CD2-CB 4.29Å; L66-N89 CarbonylContact O-C 3.54Å; L66-L90 HydrophobicContact CD2-CD1 4.14Å; L66-L90 HydrophobicContact CG-CD1 4.23Å; L66-L90 WeakPolarHBondContact O-CA 3.14Å; L66-L90 PolarHBondContact O-N 3.17Å
67K97.4Very high96.6Very high57 Ų5744.1 Ų44.125%0.24821%0.214CC..  trans-104.6-36.2-180-69.2172.2-176.9165.20111.9E45 K65 L90 T91 H92 V162E45-K67 PolarHBondContact O-N 2.79Å; E45-K67 IonicContact OE2-NZ 3.99Å; E45-K67 PolarHBondContact OE2-NZ 3.04Å; K65-K67 PolarHBondContact O-N 3.26Å; K67-L90 WeakPolarHBondContact O-CD1 3.39Å; K67-T91 PolarHBondContact O-N 2.86Å; K67-T91 PolarHBondContact O-OG1 3.39Å; K67-H92 PolarHBondContact O-N 2.95Å; K67-V162 HydrophobicContact CD-CG1 4.29Å
68K97.9Very high96.6Very high15 Ų1545.1 Ų45.17%0.06522%0.224CC..EExtended strand (participates in β ladder)trans-129.1129-176.2-177.8165.9178.2179.80111.4E45 F46 L47 E70 H92 S158 D159E45-K68 PolarHBondContact O-N 3.26Å; F46-K68 WeakPolarHBondContact CA-O 3.29Å; F46-K68 HydrophobicContact CD2-CB 3.78Å; F46-K68 HydrophobicContact CD2-CD 3.69Å; F46-K68 HydrophobicContact CD2-CG 3.6Å; F46-K68 HydrophobicContact CE2-CB 4.43Å; F46-K68 HydrophobicContact CE2-CD 3.68Å; F46-K68 HydrophobicContact CE2-CG 3.73Å; L47-K68 PolarHBondContact N-O 3Å; K68-E70 WeakPolarHBondContact CE-OE1 3.45Å; K68-H92 WeakPolarHBondContact CA-O 3.18Å; K68-H92 HydrophobicContact CB-CB 4.03Å; K68-H92 HydrophobicContact CD-CB 4.27Å; K68-H92 HydrophobicContact CG-CB 3.83Å; K68-S158 PolarHBondContact NZ-OG 3.48Å; K68-D159 IonicContact NZ-OD1 2.63Å; K68-D159 PolarHBondContact NZ-OD1 3.06Å
69L98.2Very high96.6Very high0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-131.2114-177.9178.956.5000110.7L47 L60 L66 L71 L83 L90 H92 L93 N94L47-L69 HydrophobicContact CB-CD1 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.91Å; L47-L69 HydrophobicContact CG-CD1 3.99Å; L47-L69 WeakPolarHBondContact O-CA 3.41Å; L60-L69 HydrophobicContact CD1-CD2 4.24Å; L66-L69 HydrophobicContact CD2-CB 4.15Å; L66-L69 HydrophobicContact CD2-CD1 4.37Å; L66-L69 HydrophobicContact CD2-CD2 4.4Å; L69-L71 HydrophobicContact CD1-CD1 4.47Å; L69-L71 HydrophobicContact CD1-CD2 4.37Å; L69-L71 HydrophobicContact CD1-CG 4.12Å; L69-L71 HydrophobicContact CD2-CD1 3.79Å; L69-L71 HydrophobicContact CD2-CG 4.33Å; L69-L71 HydrophobicContact CG-CD1 3.88Å; L69-L71 HydrophobicContact CG-CG 3.92Å; L69-L83 HydrophobicContact CD2-CD2 4.07Å; L69-L90 HydrophobicContact CB-CD1 3.67Å; L69-L90 HydrophobicContact CB-CD2 4.3Å; L69-L90 HydrophobicContact CD2-CD2 4.46Å; L69-H92 PolarHBondContact N-O 2.99Å; L69-L93 HydrophobicContact CB-CD1 4.23Å; L69-L93 HydrophobicContact CD2-CD1 4.13Å; L69-L93 HydrophobicContact CG-CD1 4.16Å; L69-N94 PolarHBondContact O-N 2.93Å
70E98.2Very high96.8Very high30 Ų3039.6 Ų39.614%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-100.1114.7176.3-57.9-71.5152.100110.2F46 L47 T49 I50 K68 N94F46-E70 HydrophobicContact CE2-CG 4.05Å; F46-E70 HydrophobicContact CZ-CG 4.05Å; L47-E70 PolarHBondContact O-N 2.99Å; T49-E70 PolarHBondContact N-O 2.79Å; T49-E70 PolarHBondContact OG1-O 2.9Å; T49-E70 VanDerWaalsContact OG1-O 3.1Å; I50-E70 HydrophobicContact CD1-CB 4.18Å; I50-E70 HydrophobicContact CG1-CB 4.07Å; K68-E70 WeakPolarHBondContact CE-OE1 3.45Å; E70-N94 WeakPolarHBondContact OE2-CB 3.28Å; E70-N94 PolarHBondContact OE2-ND2 3.43Å
71L97.9Very high96.8Very high0 Ų044.9 Ų44.90%022%0.221CC..  trans-120.721.4179.7-68.6162.9000112T49 L54 V57 L69 N74 I76 L93 N94 L95 N98T49-L71 WeakPolarHBondContact OG1-CD2 3.36Å; L54-L71 HydrophobicContact CD1-CD2 3.77Å; V57-L71 HydrophobicContact CG1-CD1 3.7Å; V57-L71 HydrophobicContact CG1-CD2 4.12Å; L69-L71 HydrophobicContact CD1-CD1 4.47Å; L69-L71 HydrophobicContact CD1-CD2 4.37Å; L69-L71 HydrophobicContact CD1-CG 4.12Å; L69-L71 HydrophobicContact CD2-CD1 3.79Å; L69-L71 HydrophobicContact CD2-CG 4.33Å; L69-L71 HydrophobicContact CG-CD1 3.88Å; L69-L71 HydrophobicContact CG-CG 3.92Å; L71-N74 VanDerWaalsContact C-ND2 3.32Å; L71-N74 PolarHBondContact O-ND2 3.17Å; L71-I76 HydrophobicContact CB-CD1 4.05Å; L71-I76 HydrophobicContact CD1-CD1 4.12Å; L71-I76 HydrophobicContact CD2-CD1 4.08Å; L71-I76 HydrophobicContact CG-CD1 4.33Å; L71-L93 HydrophobicContact CD1-CD1 4Å; L71-N94 WeakPolarHBondContact CA-O 3.5Å; L71-N94 WeakPolarHBondContact CB-O 3.47Å; L71-N94 PolarHBondContact N-O 3.43Å; L71-L95 HydrophobicContact CB-CD2 4.08Å; L71-L95 HydrophobicContact CD1-CD2 3.89Å; L71-N98 PolarHBondContact O-ND2 3.17Å
72S97.9Very high96.8Very high9 Ų946 Ų466%0.06323%0.228CC..THydrogen-bonded Turntrans-61.6152.7-174.9-450000113I50 N51 N74 N94 S96I50-S72 WeakPolarHBondContact CA-O 3.29Å; N51-S72 PolarHBondContact N-O 3.24Å; S72-N74 PolarHBondContact O-N 3.15Å; S72-N74 PolarHBondContact O-ND2 3.05Å; S72-N94 PolarHBondContact OG-ND2 3.39Å; S72-N94 PolarHBondContact OG-OD1 2.85Å; S72-N94 VanDerWaalsContact OG-OD1 3.09Å; S72-S96 CarbonylContact C-O 3.41Å; S72-S96 VanDerWaalsContact CA-O 3.23Å; S72-S96 WeakPolarHBondContact CA-O 3.36Å; S72-S96 VanDerWaalsContact CB-OG 3.31Å; S72-S96 WeakPolarHBondContact CB-OG 3.48Å; S72-S96 PolarHBondContact OG-OG 3.15Å; S72-S96 VanDerWaalsContact OG-OG 3.06Å
73D97.6Very high96.9Very high90 Ų9042 Ų4248%0.48121%0.211SC..THydrogen-bonded Turntrans55.935.1177.6-67.1-36.2000114.5I50 N51 S96I50-D73 HydrophobicContact CG2-CB 4.39Å; N51-D73 WeakPolarHBondContact CA-O 3.49Å; N51-D73 HydrophobicContact CB-CB 3.99Å; D73-S96 PolarHBondContact N-O 2.92Å
74N98Very high96.8Very high5 Ų543.3 Ų43.33%0.02722%0.222CC..SBendtrans-103.6-166.3170.8-74-66.5000111.2T49 V52 G53 L54 L71 S72 I76 N98T49-N74 PolarHBondContact O-ND2 3.06Å; V52-N74 PolarHBondContact N-OD1 3.22Å; G53-N74 PolarHBondContact N-OD1 2.74Å; L54-N74 HydrophobicContact CB-CB 4.11Å; L54-N74 PolarHBondContact N-OD1 3.2Å; L71-N74 VanDerWaalsContact C-ND2 3.32Å; L71-N74 PolarHBondContact O-ND2 3.17Å; S72-N74 PolarHBondContact O-N 3.15Å; S72-N74 PolarHBondContact O-ND2 3.05Å; N74-I76 HydrophobicContact CB-CD1 4.27Å; N74-I76 HydrophobicContact CB-CG1 4.33Å; N74-N98 WeakPolarHBondContact CA-OD1 3.23Å; N74-N98 WeakPolarHBondContact CB-OD1 3.47Å; N74-N98 PolarHBondContact O-OD1 3.19Å
75R97.7Very high96.8Very high172 Ų17240.9 Ų40.965%0.64922%0.216SC*.  trans-124.429-178.3-58.6-180-173.7-175.32.1111.6L54 T55 N98L54-R75 CarbonylContact O-C 3.5Å; L54-R75 VanDerWaalsContact O-CA 3.32Å; L54-R75 WeakPolarHBondContact O-CA 3.21Å; L54-R75 PolarHBondContact O-N 3.09Å; T55-R75 HydrophobicContact CG2-CB 4.24Å; R75-N98 PolarHBondContact N-OD1 2.95Å
76I97.6Very high96.8Very high0 Ų038.6 Ų38.60%021%0.206CC..  trans-69.4132.2-179.5-60.3160.9000108.8L54 V57 L71 N74 L80 L95 N98 K99L54-I76 HydrophobicContact CB-CD1 4.42Å; L54-I76 HydrophobicContact CB-CG1 4.31Å; L54-I76 PolarHBondContact O-N 2.83Å; V57-I76 HydrophobicContact CG1-CD1 3.86Å; L71-I76 HydrophobicContact CB-CD1 4.05Å; L71-I76 HydrophobicContact CD1-CD1 4.12Å; L71-I76 HydrophobicContact CD2-CD1 4.08Å; L71-I76 HydrophobicContact CG-CD1 4.33Å; N74-I76 HydrophobicContact CB-CD1 4.27Å; N74-I76 HydrophobicContact CB-CG1 4.33Å; I76-L80 HydrophobicContact CG2-CD2 4.15Å; I76-L95 HydrophobicContact CD1-CD2 4.34Å; I76-N98 HydrophobicContact CB-CB 4.38Å; I76-N98 VanDerWaalsContact CB-OD1 3.31Å; I76-N98 WeakPolarHBondContact CB-OD1 3.45Å; I76-N98 PolarHBondContact N-OD1 3.17Å; I76-K99 CarbonylContact O-C 3.36Å; I76-K99 WeakPolarHBondContact O-CA 3.19Å; I76-K99 PolarHBondContact O-N 3.35Å
77S96.3Very high96.8Very high75 Ų7538.6 Ų38.652%0.52421%0.206SC..  trans-127.56.9179.365.80000113.6K99 T105S77-K99 WeakPolarHBondContact CA-O 3.43Å; S77-K99 WeakPolarHBondContact CB-O 3.49Å; S77-T105 WeakPolarHBondContact O-CG2 3.48Å
78G95.1Very high96.7Very high21 Ų2138.5 Ų38.522%0.21621%0.211CC..SBendtrans161.7-164.5-178.300000112.9L80G78-L80 VanDerWaalsContact C-N 3.33Å
79G94.6Very high96.6Very high24 Ų2441.7 Ų41.725%0.24723%0.229CC..  trans72.627.1-176.500000113V57 E81 V82V57-G79 WeakPolarHBondContact CG2-O 3.42Å; G79-E81 VanDerWaalsContact C-N 3.3Å; G79-E81 WeakPolarHBondContact CA-OE2 3.32Å; G79-V82 WeakPolarHBondContact O-CG2 3.22Å
80L96.7Very high96.6Very high1 Ų141.7 Ų41.71%0.00523%0.229CC..THydrogen-bonded Turntrans-78.7-15.2-176.9-60.5-175.6000112.5V57 I76 G78 V82 L83 L95 T105 I106 L109V57-L80 HydrophobicContact CG2-CD2 4.23Å; I76-L80 HydrophobicContact CG2-CD2 4.15Å; G78-L80 VanDerWaalsContact C-N 3.33Å; L80-V82 PolarHBondContact O-N 2.93Å; L80-V82 VanDerWaalsContact O-N 3.15Å; L80-L83 HydrophobicContact CB-CD1 4.42Å; L80-L83 HydrophobicContact CD2-CD1 4.13Å; L80-L83 WeakPolarHBondContact O-CB 3.13Å; L80-L83 WeakPolarHBondContact O-CG 3.47Å; L80-L83 PolarHBondContact O-N 3.45Å; L80-L95 HydrophobicContact CD1-CD1 3.82Å; L80-L95 HydrophobicContact CD2-CD1 4.27Å; L80-L95 HydrophobicContact CD2-CD2 4.41Å; L80-T105 WeakPolarHBondContact CD1-O 3.34Å; L80-I106 HydrophobicContact CD1-CG2 4.19Å; L80-L109 HydrophobicContact CB-CD2 3.88Å; L80-L109 HydrophobicContact CB-CG 4.46Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.14Å; L80-L109 HydrophobicContact CD1-CG 4.19Å
81E95.5Very high96.5Very high111 Ų11141.4 Ų41.452%0.51923%0.229SC..THydrogen-bonded Turntrans-57.6-27.2177.362.6-85.3-165.100113.4G79 L83 A84 P108G79-E81 VanDerWaalsContact C-N 3.3Å; G79-E81 WeakPolarHBondContact CA-OE2 3.32Å; E81-L83 PolarHBondContact O-N 3.47Å; E81-A84 PolarHBondContact O-N 3Å; E81-P108 HydrophobicContact CB-CB 3.76Å; E81-P108 HydrophobicContact CB-CG 4.28Å
82V96.1Very high96.6Very high33 Ų3342.4 Ų42.420%0.223%0.234CC..Hα-helixtrans-67.3-25.8178.4-54.50000112.1V57 G79 L80 A84 D85 K86V57-V82 HydrophobicContact CB-CG2 4.41Å; V57-V82 HydrophobicContact CG2-CG2 3.72Å; G79-V82 WeakPolarHBondContact O-CG2 3.22Å; L80-V82 PolarHBondContact O-N 2.93Å; L80-V82 VanDerWaalsContact O-N 3.15Å; V82-A84 PolarHBondContact O-N 2.82Å; V82-D85 PolarHBondContact O-N 2.98Å; V82-D85 VanDerWaalsContact O-N 3.15Å; V82-K86 HydrophobicContact CB-CG 4.47Å; V82-K86 WeakPolarHBondContact O-CB 3.33Å; V82-K86 VanDerWaalsContact O-CG 3.23Å; V82-K86 WeakPolarHBondContact O-CG 3.27Å; V82-K86 PolarHBondContact O-N 2.93Å
83L96.8Very high96.6Very high0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-62.3-33.1-176.8-64.4176.8000111.5V57 L60 L69 L80 E81 D85 K86 C87 L93 L109 L112V57-L83 HydrophobicContact CB-CD2 4.32Å; V57-L83 HydrophobicContact CG2-CD2 4.15Å; V57-L83 HydrophobicContact CG2-CG 4.28Å; L60-L83 HydrophobicContact CD1-CD2 3.65Å; L69-L83 HydrophobicContact CD2-CD2 4.07Å; L80-L83 HydrophobicContact CB-CD1 4.42Å; L80-L83 HydrophobicContact CD2-CD1 4.13Å; L80-L83 WeakPolarHBondContact O-CB 3.13Å; L80-L83 WeakPolarHBondContact O-CG 3.47Å; L80-L83 PolarHBondContact O-N 3.45Å; E81-L83 PolarHBondContact O-N 3.47Å; L83-D85 PolarHBondContact O-N 3.3Å; L83-K86 PolarHBondContact O-N 2.97Å; L83-C87 CarbonylContact O-C 3.48Å; L83-C87 WeakPolarHBondContact O-CA 3.14Å; L83-C87 PolarHBondContact O-N 3.37Å; L83-L93 HydrophobicContact CD1-CD2 3.9Å; L83-L109 HydrophobicContact CD1-CD2 3.93Å; L83-L112 HydrophobicContact CB-CD1 4.08Å; L83-L112 HydrophobicContact CB-CD2 4.48Å
84A94.9Very high96.6Very high30 Ų3038.9 Ų38.925%0.24821%0.214CC..Hα-helixtrans-65.4-35.8177.600000113.1E81 V82 E111 L112E81-A84 PolarHBondContact O-N 3Å; V82-A84 PolarHBondContact O-N 2.82Å; A84-E111 HydrophobicContact CB-CB 3.82Å; A84-L112 HydrophobicContact CB-CD2 4.31Å
85D95.1Very high96.6Very high91 Ų9138.6 Ų38.649%0.48721%0.213SC..Hα-helixtrans-81.5-34.9175.7176.470.7000112.5K62 V82 L83K62-D85 WeakPolarHBondContact CE-OD2 3.05Å; K62-D85 VanDerWaalsContact NZ-CG 3.28Å; K62-D85 IonicContact NZ-OD1 3.45Å; K62-D85 PolarHBondContact NZ-OD1 3.28Å; K62-D85 IonicContact NZ-OD2 3.18Å; K62-D85 PolarHBondContact NZ-OD2 3.05Å; V82-D85 PolarHBondContact O-N 2.98Å; V82-D85 VanDerWaalsContact O-N 3.15Å; L83-D85 PolarHBondContact O-N 3.3Å
86K95.8Very high96.6Very high46 Ų4631.2 Ų31.220%0.219%0.188CC..Hα-helixtrans-85.4-40.3-172.5-63.3-58.2-173.1149.80113.2L60 K62 L63 V82 L83L60-K86 HydrophobicContact CB-CB 4.36Å; L60-K86 HydrophobicContact CB-CG 4.35Å; L60-K86 VanDerWaalsContact O-CD 3.25Å; L60-K86 WeakPolarHBondContact O-CD 3.45Å; L60-K86 WeakPolarHBondContact O-CE 3.41Å; L60-K86 PolarHBondContact O-NZ 3.01Å; K62-K86 CarbonylContact C-O 3.41Å; K62-K86 WeakPolarHBondContact CA-O 3.43Å; K62-K86 HydrophobicContact CG-CD 3.88Å; L63-K86 CarbonylContact C-O 3.56Å; L63-K86 PolarHBondContact N-O 2.97Å; V82-K86 HydrophobicContact CB-CG 4.47Å; V82-K86 WeakPolarHBondContact O-CB 3.33Å; V82-K86 VanDerWaalsContact O-CG 3.23Å; V82-K86 WeakPolarHBondContact O-CG 3.27Å; V82-K86 PolarHBondContact O-N 2.93Å; L83-K86 PolarHBondContact O-N 2.97Å
87C96.8Very high96.6Very high0 Ų031.8 Ų31.80%019%0.194CC..  trans-13364.7-173-51.60000110L66 L83 N89 L90 L112L66-C87 HydrophobicContact CD2-CB 4.29Å; L83-C87 CarbonylContact O-C 3.48Å; L83-C87 WeakPolarHBondContact O-CA 3.14Å; L83-C87 PolarHBondContact O-N 3.37Å; C87-N89 PolarHBondContact O-N 2.79Å; C87-L90 HydrophobicContact CB-CB 4.2Å; C87-L90 VanDerWaalsContact O-CB 3.32Å; C87-L90 WeakPolarHBondContact O-CB 3.15Å; C87-L90 PolarHBondContact O-N 2.89Å; C87-L112 WeakPolarHBondContact O-CD2 3.48Å
88P95.9Very high96.7Very high55 Ų5528.4 Ų28.436%0.35717%0.169SC..THydrogen-bonded Turntrans-64.4-23.6-171.526.1-35.9000114.1
89N96.2Very high96.8Very high82 Ų8232.4 Ų32.444%0.43918%0.181SC..THydrogen-bonded Turntrans-97.916.1-178.9-64.5-41.9000113.3K64 L66 C87 T91K64-N89 PolarHBondContact O-ND2 2.89Å; L66-N89 CarbonylContact O-C 3.54Å; C87-N89 PolarHBondContact O-N 2.79Å; N89-T91 PolarHBondContact O-N 3.15Å
90L97.8Very high97Very high0 Ų031.2 Ų31.20%017%0.169CC..  trans-65.7126.4-179.1-16672.5000110.6L66 K67 L69 C87 L93 L112 S114 L115L66-L90 HydrophobicContact CD2-CD1 4.14Å; L66-L90 HydrophobicContact CG-CD1 4.23Å; L66-L90 WeakPolarHBondContact O-CA 3.14Å; L66-L90 PolarHBondContact O-N 3.17Å; K67-L90 WeakPolarHBondContact O-CD1 3.39Å; L69-L90 HydrophobicContact CB-CD1 3.67Å; L69-L90 HydrophobicContact CB-CD2 4.3Å; L69-L90 HydrophobicContact CD2-CD2 4.46Å; C87-L90 HydrophobicContact CB-CB 4.2Å; C87-L90 VanDerWaalsContact O-CB 3.32Å; C87-L90 WeakPolarHBondContact O-CB 3.15Å; C87-L90 PolarHBondContact O-N 2.89Å; L90-L93 HydrophobicContact CD2-CB 4.02Å; L90-L93 HydrophobicContact CD2-CD1 4.22Å; L90-L93 HydrophobicContact CD2-CD2 4.41Å; L90-L93 HydrophobicContact CD2-CG 4.45Å; L90-L112 HydrophobicContact CB-CD2 4.46Å; L90-L112 HydrophobicContact CD2-CD1 4.42Å; L90-S114 CarbonylContact O-C 3.38Å; L90-S114 VanDerWaalsContact O-C 3.27Å; L90-L115 WeakPolarHBondContact O-CA 3.13Å; L90-L115 PolarHBondContact O-N 3.31Å
91T97.6Very high96.9Very high25 Ų2535.9 Ų35.915%0.15319%0.189CC..  trans-109.8-30.8-179.859.60000112.4K67 N89 S114 K116 S117K67-T91 PolarHBondContact O-N 2.86Å; K67-T91 PolarHBondContact O-OG1 3.39Å; N89-T91 PolarHBondContact O-N 3.15Å; T91-S114 WeakPolarHBondContact CA-O 3.48Å; T91-K116 PolarHBondContact O-N 2.78Å; T91-S117 PolarHBondContact O-N 2.92Å
92H98Very high96.9Very high20 Ų2034.7 Ų34.79%0.09319%0.186CC..EExtended strand (participates in β ladder)trans-127.6125.1-177.8-66.776000110.3K67 K68 L69 S117K67-H92 PolarHBondContact O-N 2.95Å; K68-H92 WeakPolarHBondContact CA-O 3.18Å; K68-H92 HydrophobicContact CB-CB 4.03Å; K68-H92 HydrophobicContact CD-CB 4.27Å; K68-H92 HydrophobicContact CG-CB 3.83Å; L69-H92 PolarHBondContact N-O 2.99Å; H92-S117 VanDerWaalsContact CD2-CB 3.45Å; H92-S117 WeakPolarHBondContact CD2-CB 3.37Å
93L98.3Very high96.9Very high4 Ų435.1 Ų35.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-132.1120.4178177.257.9000110.4L69 L71 L83 L90 L95 L109 L115 S117 L118 D119L69-L93 HydrophobicContact CB-CD1 4.23Å; L69-L93 HydrophobicContact CD2-CD1 4.13Å; L69-L93 HydrophobicContact CG-CD1 4.16Å; L71-L93 HydrophobicContact CD1-CD1 4Å; L83-L93 HydrophobicContact CD1-CD2 3.9Å; L90-L93 HydrophobicContact CD2-CB 4.02Å; L90-L93 HydrophobicContact CD2-CD1 4.22Å; L90-L93 HydrophobicContact CD2-CD2 4.41Å; L90-L93 HydrophobicContact CD2-CG 4.45Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.15Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.26Å; L93-L95 HydrophobicContact CG-CD1 4.17Å; L93-L95 HydrophobicContact CG-CG 4.01Å; L93-L109 HydrophobicContact CD2-CD1 4.09Å; L93-L109 HydrophobicContact CD2-CD2 3.9Å; L93-L115 HydrophobicContact CB-CD1 3.82Å; L93-S117 PolarHBondContact N-O 3.12Å; L93-L118 HydrophobicContact CB-CD1 4.2Å; L93-L118 HydrophobicContact CD2-CD1 4.1Å; L93-L118 HydrophobicContact CG-CD1 4.06Å; L93-L118 WeakPolarHBondContact O-CA 3.38Å; L93-D119 PolarHBondContact O-N 3.22Å
94N98.3Very high96.9Very high21 Ų2138.9 Ų38.911%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-105.9117.4171.9-163.3-22.5000110.8L69 E70 L71 S72 S96 D119L69-N94 PolarHBondContact O-N 2.93Å; E70-N94 WeakPolarHBondContact OE2-CB 3.28Å; E70-N94 PolarHBondContact OE2-ND2 3.43Å; L71-N94 WeakPolarHBondContact CA-O 3.5Å; L71-N94 WeakPolarHBondContact CB-O 3.47Å; L71-N94 PolarHBondContact N-O 3.43Å; S72-N94 PolarHBondContact OG-ND2 3.39Å; S72-N94 PolarHBondContact OG-OD1 2.85Å; S72-N94 VanDerWaalsContact OG-OD1 3.09Å; N94-S96 WeakPolarHBondContact OD1-CB 3.47Å; N94-S96 PolarHBondContact OD1-N 3.08Å; N94-S96 PolarHBondContact OD1-OG 2.63Å; N94-D119 HydrophobicContact CB-CB 4.31Å; N94-D119 PolarHBondContact ND2-OD2 3.32Å; N94-D119 WeakPolarHBondContact OD1-CB 3.18Å; N94-D119 PolarHBondContact OD1-OD2 3.18Å
95L98.2Very high96.9Very high0 Ų038.6 Ų38.60%021%0.209CC..  trans-116.715.8175.9-73.4170.4000111.5L71 I76 L80 L93 N98 L118 D119 L120 C123L71-L95 HydrophobicContact CB-CD2 4.08Å; L71-L95 HydrophobicContact CD1-CD2 3.89Å; I76-L95 HydrophobicContact CD1-CD2 4.34Å; L80-L95 HydrophobicContact CD1-CD1 3.82Å; L80-L95 HydrophobicContact CD2-CD1 4.27Å; L80-L95 HydrophobicContact CD2-CD2 4.41Å; L93-L95 HydrophobicContact CD1-CD2 4.46Å; L93-L95 HydrophobicContact CD1-CG 4.15Å; L93-L95 HydrophobicContact CD2-CD1 3.89Å; L93-L95 HydrophobicContact CD2-CG 4.26Å; L93-L95 HydrophobicContact CG-CD1 4.17Å; L93-L95 HydrophobicContact CG-CG 4.01Å; L95-N98 VanDerWaalsContact C-ND2 3.34Å; L95-N98 VanDerWaalsContact O-CB 3.26Å; L95-N98 WeakPolarHBondContact O-CB 3.35Å; L95-N98 PolarHBondContact O-N 3.41Å; L95-N98 PolarHBondContact O-ND2 3.04Å; L95-L118 HydrophobicContact CD1-CD1 4.28Å; L95-D119 CarbonylContact C-O 3.27Å; L95-D119 WeakPolarHBondContact CA-O 3.35Å; L95-D119 PolarHBondContact N-O 3.01Å; L95-L120 HydrophobicContact CB-CD2 3.88Å; L95-L120 HydrophobicContact CD1-CD2 4.21Å; L95-C123 PolarHBondContact O-SG 2.9Å
96S98.1Very high97Very high17 Ų1734.3 Ų34.312%0.11919%0.186CC..THydrogen-bonded Turntrans-56.1146.6-179.561.40000112.8S72 D73 N94 N98 D119 F121S72-S96 CarbonylContact C-O 3.41Å; S72-S96 VanDerWaalsContact CA-O 3.23Å; S72-S96 WeakPolarHBondContact CA-O 3.36Å; S72-S96 VanDerWaalsContact CB-OG 3.31Å; S72-S96 WeakPolarHBondContact CB-OG 3.48Å; S72-S96 PolarHBondContact OG-OG 3.15Å; S72-S96 VanDerWaalsContact OG-OG 3.06Å; D73-S96 PolarHBondContact N-O 2.92Å; N94-S96 WeakPolarHBondContact OD1-CB 3.47Å; N94-S96 PolarHBondContact OD1-N 3.08Å; N94-S96 PolarHBondContact OD1-OG 2.63Å; S96-N98 PolarHBondContact O-N 3.23Å; S96-N98 VanDerWaalsContact O-N 3.15Å; S96-N98 PolarHBondContact O-ND2 3.24Å; S96-D119 PolarHBondContact N-O 3.22Å; S96-F121 CarbonylContact C-O 3.16Å; S96-F121 WeakPolarHBondContact CA-O 3.31Å; S96-F121 WeakPolarHBondContact CB-O 3.35Å
97G97.7Very high97.1Very high12 Ų1235.9 Ų35.912%0.12419%0.194CC..THydrogen-bonded Turntrans68.98.9-18000000115.8F121G97-F121 PolarHBondContact N-O 2.89Å
98N98.6Very high97.1Very high3 Ų337.4 Ų37.42%0.01620%0.204CC..SBendtrans-85.7-176.7175.5-77.7-81.3000113L71 N74 R75 I76 L95 S96 I100L71-N98 PolarHBondContact O-ND2 3.17Å; N74-N98 WeakPolarHBondContact CA-OD1 3.23Å; N74-N98 WeakPolarHBondContact CB-OD1 3.47Å; N74-N98 PolarHBondContact O-OD1 3.19Å; R75-N98 PolarHBondContact N-OD1 2.95Å; I76-N98 HydrophobicContact CB-CB 4.38Å; I76-N98 VanDerWaalsContact CB-OD1 3.31Å; I76-N98 WeakPolarHBondContact CB-OD1 3.45Å; I76-N98 PolarHBondContact N-OD1 3.17Å; L95-N98 VanDerWaalsContact C-ND2 3.34Å; L95-N98 VanDerWaalsContact O-CB 3.26Å; L95-N98 WeakPolarHBondContact O-CB 3.35Å; L95-N98 PolarHBondContact O-N 3.41Å; L95-N98 PolarHBondContact O-ND2 3.04Å; S96-N98 PolarHBondContact O-N 3.23Å; S96-N98 VanDerWaalsContact O-N 3.15Å; S96-N98 PolarHBondContact O-ND2 3.24Å; N98-I100 HydrophobicContact CB-CG1 4.21Å
99K97.3Very high97.1Very high105 Ų10534.8 Ų34.846%0.45719%0.187SC..  trans-101.842.5-177.4-60.3-55.1179.9-163.50112.4I76 S77 K101I76-K99 CarbonylContact O-C 3.36Å; I76-K99 WeakPolarHBondContact O-CA 3.19Å; I76-K99 PolarHBondContact O-N 3.35Å; S77-K99 WeakPolarHBondContact CA-O 3.43Å; S77-K99 WeakPolarHBondContact CB-O 3.49Å; K99-K101 PolarHBondContact O-N 2.82Å
100I97.5Very high97.2Very high0 Ų035 Ų350%018%0.184CC..  trans-81.4112.6176.2-50.3-58.7000108.8N98 T105 I106 L120 C123 E124 V125N98-I100 HydrophobicContact CB-CG1 4.21Å; I100-T105 HydrophobicContact CD1-CG2 3.72Å; I100-T105 HydrophobicContact CG2-CG2 4.16Å; I100-I106 HydrophobicContact CG2-CG2 3.75Å; I100-L120 HydrophobicContact CG1-CD2 4.35Å; I100-L120 HydrophobicContact CG2-CD2 4.44Å; I100-C123 HydrophobicContact CB-CB 4.08Å; I100-E124 PolarHBondContact O-N 3.15Å; I100-V125 HydrophobicContact CB-CG1 4.43Å; I100-V125 HydrophobicContact CG2-CB 4.26Å; I100-V125 HydrophobicContact CG2-CG1 4.03Å; I100-V125 PolarHBondContact O-N 3.33Å
101K95.3Very high97.1Very high99 Ų9941.3 Ų41.343%0.4321%0.213SC..  trans-99.2-41.5-174.5-58.7-175.7178.6-95.80113.4K99 E124 V125K99-K101 PolarHBondContact O-N 2.82Å; K101-E124 HydrophobicContact CB-CB 4.42Å; K101-E124 HydrophobicContact CG-CB 4.2Å; K101-E124 WeakPolarHBondContact CG-OE2 3.26Å; K101-E124 IonicContact NZ-OE1 2.73Å; K101-E124 PolarHBondContact NZ-OE1 2.86Å; K101-E124 IonicContact NZ-OE2 2.81Å; K101-E124 PolarHBondContact NZ-OE2 3.31Å; K101-V125 WeakPolarHBondContact O-CA 3.41Å
102D95.3Very high97Very high86 Ų8640.2 Ų40.246%0.4621%0.206SC..SBendtrans-127.9155.1-167.9-58.1-64.9000111.1S104 T105D102-S104 PolarHBondContact O-N 2.81Å; D102-T105 WeakPolarHBondContact O-CB 3.21Å; D102-T105 PolarHBondContact O-N 3.43Å; D102-T105 VanDerWaalsContact O-N 3.11Å; D102-T105 PolarHBondContact O-OG1 3.47Å
103L95.9Very high96.9Very high41 Ų4142.1 Ų42.122%0.21523%0.232CC..Hα-helixtrans-63.1-26.3176.5-64.4174.4000112.7T105 I106 E107 V125 L128 N134 V135 L138L103-T105 PolarHBondContact O-N 2.96Å; L103-I106 HydrophobicContact CD2-CD1 3.98Å; L103-I106 WeakPolarHBondContact O-CG1 3.44Å; L103-I106 PolarHBondContact O-N 3.19Å; L103-E107 PolarHBondContact O-N 3.45Å; L103-V125 HydrophobicContact CD2-CG2 3.81Å; L103-V125 HydrophobicContact CG-CG2 4.31Å; L103-L128 HydrophobicContact CG-CD1 4.12Å; L103-N134 HydrophobicContact CD1-CB 3.62Å; L103-V135 HydrophobicContact CD2-CG2 3.7Å; L103-L138 HydrophobicContact CB-CD2 4.2Å; L103-L138 WeakPolarHBondContact O-CD2 3.4Å
104S96.1Very high96.8Very high79 Ų7944.4 Ų44.455%0.55225%0.248SC*.Hα-helixtrans-62.9-28.2175.5560000112.6D102 I106D102-S104 PolarHBondContact O-N 2.81Å; S104-I106 VanDerWaalsContact C-N 3.29Å; S104-I106 PolarHBondContact O-N 3.3Å
105T95.8Very high96.8Very high25 Ų2543.4 Ų43.415%0.15324%0.243CC..Hα-helixtrans-66.4-33.1177.3-52.40000111.9S77 L80 I100 D102 L103S77-T105 WeakPolarHBondContact O-CG2 3.48Å; L80-T105 WeakPolarHBondContact CD1-O 3.34Å; I100-T105 HydrophobicContact CD1-CG2 3.72Å; I100-T105 HydrophobicContact CG2-CG2 4.16Å; D102-T105 WeakPolarHBondContact O-CB 3.21Å; D102-T105 PolarHBondContact O-N 3.43Å; D102-T105 VanDerWaalsContact O-N 3.11Å; D102-T105 PolarHBondContact O-OG1 3.47Å; L103-T105 PolarHBondContact O-N 2.96Å
106I96.9Very high96.7Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-98.2-9.6-178.862.8168000113.2L80 I100 L103 S104 P108 L109 L120 V135 L138L80-I106 HydrophobicContact CD1-CG2 4.19Å; I100-I106 HydrophobicContact CG2-CG2 3.75Å; L103-I106 HydrophobicContact CD2-CD1 3.98Å; L103-I106 WeakPolarHBondContact O-CG1 3.44Å; L103-I106 PolarHBondContact O-N 3.19Å; S104-I106 VanDerWaalsContact C-N 3.29Å; S104-I106 PolarHBondContact O-N 3.3Å; I106-P108 VanDerWaalsContact C-N 3.28Å; I106-L109 HydrophobicContact CB-CD1 4.03Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 WeakPolarHBondContact O-CB 3.37Å; I106-L109 WeakPolarHBondContact O-CG 3.49Å; I106-L109 PolarHBondContact O-N 3.04Å; I106-L120 HydrophobicContact CD1-CD1 3.99Å; I106-L120 HydrophobicContact CG2-CD1 4.34Å; I106-L120 HydrophobicContact CG2-CD2 4.22Å; I106-V135 HydrophobicContact CD1-CG1 4.4Å; I106-V135 HydrophobicContact CD1-CG2 3.92Å; I106-L138 HydrophobicContact CD1-CD2 4.34Å; I106-L138 HydrophobicContact CG1-CD2 4.02Å
107E97Very high96.7Very high80 Ų8047.2 Ų47.237%0.37426%0.26SS..G310 helixtrans-50.3-41.1175.9178.3178.7177.700113.5L103 L109 K110 L138L103-E107 PolarHBondContact O-N 3.45Å; E107-L109 PolarHBondContact O-N 3.34Å; E107-L109 VanDerWaalsContact O-N 3.09Å; E107-K110 HydrophobicContact CG-CD 4.12Å; E107-K110 WeakPolarHBondContact O-CB 3.22Å; E107-K110 WeakPolarHBondContact O-CD 3.33Å; E107-K110 WeakPolarHBondContact O-CG 3.32Å; E107-K110 PolarHBondContact O-N 3.11Å; E107-K110 IonicContact OE1-NZ 2.79Å; E107-K110 PolarHBondContact OE1-NZ 3.15Å; E107-L138 HydrophobicContact CB-CD1 4.26Å; E107-L138 HydrophobicContact CB-CD2 4.26Å; E107-L138 HydrophobicContact CG-CD1 4.06Å
108P97.1Very high96.7Very high32 Ų3246.6 Ų46.621%0.20825%0.254CS..G310 helixtrans-60.1-20.9178-2535.4000114.7E81 I106 K110 E111E81-P108 HydrophobicContact CB-CB 3.76Å; E81-P108 HydrophobicContact CB-CG 4.28Å; I106-P108 VanDerWaalsContact C-N 3.28Å; P108-K110 PolarHBondContact O-N 3.26Å; P108-K110 VanDerWaalsContact O-N 3.15Å; P108-E111 PolarHBondContact O-N 3.27Å
109L97.4Very high96.7Very high0 Ų048.3 Ų48.30%026%0.263CS..G310 helixtrans-65-14.8176.5-57.5-179.2000112.5L80 L83 L93 I106 E107 E111 L112 L115 L118 L139 Q141L80-L109 HydrophobicContact CB-CD2 3.88Å; L80-L109 HydrophobicContact CB-CG 4.46Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.14Å; L80-L109 HydrophobicContact CD1-CG 4.19Å; L83-L109 HydrophobicContact CD1-CD2 3.93Å; L93-L109 HydrophobicContact CD2-CD1 4.09Å; L93-L109 HydrophobicContact CD2-CD2 3.9Å; I106-L109 HydrophobicContact CB-CD1 4.03Å; I106-L109 HydrophobicContact CG2-CD1 4.3Å; I106-L109 WeakPolarHBondContact O-CB 3.37Å; I106-L109 WeakPolarHBondContact O-CG 3.49Å; I106-L109 PolarHBondContact O-N 3.04Å; E107-L109 PolarHBondContact O-N 3.34Å; E107-L109 VanDerWaalsContact O-N 3.09Å; L109-E111 PolarHBondContact O-N 3.49Å; L109-E111 VanDerWaalsContact O-N 3.17Å; L109-L112 HydrophobicContact CD2-CD1 3.79Å; L109-L112 WeakPolarHBondContact O-CB 3.23Å; L109-L112 PolarHBondContact O-N 3.09Å; L109-L115 HydrophobicContact CB-CD2 4.33Å; L109-L118 HydrophobicContact CD1-CD1 4.16Å; L109-L118 HydrophobicContact CD1-CD2 4.02Å; L109-L139 HydrophobicContact CB-CD1 4.26Å; L109-L139 HydrophobicContact CB-CD2 4.12Å; L109-Q141 PolarHBondContact O-NE2 3.42Å
110K96.4Very high96.7Very high87 Ų8743.3 Ų43.338%0.37824%0.241SC..G310 helixtrans-59.4-25.8174.776.8-169.5175.8-1730112.9E107 P108 L112 L139 Q141E107-K110 HydrophobicContact CG-CD 4.12Å; E107-K110 WeakPolarHBondContact O-CB 3.22Å; E107-K110 WeakPolarHBondContact O-CD 3.33Å; E107-K110 WeakPolarHBondContact O-CG 3.32Å; E107-K110 PolarHBondContact O-N 3.11Å; E107-K110 IonicContact OE1-NZ 2.79Å; E107-K110 PolarHBondContact OE1-NZ 3.15Å; P108-K110 PolarHBondContact O-N 3.26Å; P108-K110 VanDerWaalsContact O-N 3.15Å; K110-L112 VanDerWaalsContact C-N 3.28Å; K110-L139 HydrophobicContact CB-CD2 3.82Å; K110-L139 VanDerWaalsContact N-CD2 3.33Å; K110-Q141 PolarHBondContact O-NE2 3.05Å
111E96.4Very high96.6Very high131 Ų13150 Ų5061%0.61227%0.271SS*.G310 helixtrans-76.2-16.3178.2-56.2-59.5141.700112.2A84 P108 L109 G113A84-E111 HydrophobicContact CB-CB 3.82Å; P108-E111 PolarHBondContact O-N 3.27Å; L109-E111 PolarHBondContact O-N 3.49Å; L109-E111 VanDerWaalsContact O-N 3.17Å; E111-G113 VanDerWaalsContact C-N 3.35Å; E111-G113 PolarHBondContact O-N 2.8Å
112L96.5Very high96.7Very high2 Ų250.7 Ų50.71%0.0128%0.279CS..  trans-78.785171-66.3168000109.3L83 A84 C87 L90 L109 K110 S114 L115 Q141L83-L112 HydrophobicContact CB-CD1 4.08Å; L83-L112 HydrophobicContact CB-CD2 4.48Å; A84-L112 HydrophobicContact CB-CD2 4.31Å; C87-L112 WeakPolarHBondContact O-CD2 3.48Å; L90-L112 HydrophobicContact CB-CD2 4.46Å; L90-L112 HydrophobicContact CD2-CD1 4.42Å; L109-L112 HydrophobicContact CD2-CD1 3.79Å; L109-L112 WeakPolarHBondContact O-CB 3.23Å; L109-L112 PolarHBondContact O-N 3.09Å; K110-L112 VanDerWaalsContact C-N 3.28Å; L112-S114 PolarHBondContact O-N 3.44Å; L112-L115 HydrophobicContact CB-CB 3.87Å; L112-L115 HydrophobicContact CD1-CD2 4.34Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.62Å; L112-Q141 PolarHBondContact O-NE2 3.22Å
113G94.9Very high96.8Very high61 Ų6146.9 Ų46.963%0.62926%0.259SS*.THydrogen-bonded Turntrans-62-27.3-177.200000114.3E111E111-G113 VanDerWaalsContact C-N 3.35Å; E111-G113 PolarHBondContact O-N 2.8Å
114S95.9Very high96.8Very high51 Ų5148.8 Ų48.836%0.35727%0.267SS..THydrogen-bonded Turntrans-88.5-3.5-179.5-55.80000114L90 T91 L112 K116L90-S114 CarbonylContact O-C 3.38Å; L90-S114 VanDerWaalsContact O-C 3.27Å; T91-S114 WeakPolarHBondContact CA-O 3.48Å; L112-S114 PolarHBondContact O-N 3.44Å; S114-K116 PolarHBondContact O-N 3.46Å
115L97.8Very high96.9Very high1 Ų145 Ų451%0.00524%0.24CC..  trans-70.4112.5-174.9-170.370.3000110.9L90 L93 L109 L112 Q141 L142L90-L115 WeakPolarHBondContact O-CA 3.13Å; L90-L115 PolarHBondContact O-N 3.31Å; L93-L115 HydrophobicContact CB-CD1 3.82Å; L109-L115 HydrophobicContact CB-CD2 4.33Å; L112-L115 HydrophobicContact CB-CB 3.87Å; L112-L115 HydrophobicContact CD1-CD2 4.34Å; L112-L115 WeakPolarHBondContact O-CB 3.34Å; L112-L115 PolarHBondContact O-N 2.62Å; L115-Q141 WeakPolarHBondContact O-CG 3.43Å; L115-L142 HydrophobicContact CD2-CD1 4.48Å; L115-L142 HydrophobicContact CG-CD1 4.32Å
116K97.1Very high96.9Very high76 Ų7646 Ų4633%0.3325%0.246SC..  trans-100.6-35.9-178.7-65.1-178.6-177.1176.10112.3T91 S114 L142 T143 Y144 E165T91-K116 PolarHBondContact O-N 2.78Å; S114-K116 PolarHBondContact O-N 3.46Å; K116-L142 WeakPolarHBondContact O-CD1 3.13Å; K116-T143 PolarHBondContact O-N 3.22Å; K116-Y144 PolarHBondContact O-N 2.85Å; K116-E165 IonicContact NZ-OE1 2.85Å; K116-E165 PolarHBondContact NZ-OE1 3.42Å
117S97.5Very high96.8Very high20 Ų2052.1 Ų52.114%0.1428%0.279CS..EExtended strand (participates in β ladder)trans-130.5132.9-175-171.90000112.1T91 H92 L93 Y144T91-S117 PolarHBondContact O-N 2.92Å; H92-S117 VanDerWaalsContact CD2-CB 3.45Å; H92-S117 WeakPolarHBondContact CD2-CB 3.37Å; L93-S117 PolarHBondContact N-O 3.12Å; S117-Y144 WeakPolarHBondContact CA-O 3.25Å
118L98.3Very high96.7Very high0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-134.8128.9178.917661.8000109.2L93 L95 L109 L120 L139 L142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.2Å; L93-L118 HydrophobicContact CD2-CD1 4.1Å; L93-L118 HydrophobicContact CG-CD1 4.06Å; L93-L118 WeakPolarHBondContact O-CA 3.38Å; L95-L118 HydrophobicContact CD1-CD1 4.28Å; L109-L118 HydrophobicContact CD1-CD1 4.16Å; L109-L118 HydrophobicContact CD1-CD2 4.02Å; L118-L120 HydrophobicContact CD1-CD2 4.44Å; L118-L120 HydrophobicContact CD1-CG 4.24Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.16Å; L118-L120 HydrophobicContact CG-CG 3.99Å; L118-L139 HydrophobicContact CD2-CD1 3.83Å; L118-L142 HydrophobicContact CB-CD1 3.61Å; L118-L142 HydrophobicContact CB-CD2 3.96Å; L118-L142 HydrophobicContact CB-CG 4.45Å; L118-Y144 PolarHBondContact N-O 3.32Å; L118-Y144 VanDerWaalsContact N-O 3.08Å; L118-L145 HydrophobicContact CB-CD1 4.36Å; L118-L145 HydrophobicContact CD2-CD1 4.41Å; L118-L145 HydrophobicContact CG-CD1 4.32Å; L118-L145 CarbonylContact O-C 3.55Å; L118-L145 VanDerWaalsContact O-CA 3.32Å; L118-L145 WeakPolarHBondContact O-CA 3.49Å; L118-D146 PolarHBondContact O-N 2.98Å
119D98.1Very high96.6Very high39 Ų3957 Ų5721%0.20931%0.305CS..EExtended strand (participates in β ladder)trans-114.2122.8173.3-176.2-2.4000109.6L93 N94 L95 S96 F121L93-D119 PolarHBondContact O-N 3.22Å; N94-D119 HydrophobicContact CB-CB 4.31Å; N94-D119 PolarHBondContact ND2-OD2 3.32Å; N94-D119 WeakPolarHBondContact OD1-CB 3.18Å; N94-D119 PolarHBondContact OD1-OD2 3.18Å; L95-D119 CarbonylContact C-O 3.27Å; L95-D119 WeakPolarHBondContact CA-O 3.35Å; L95-D119 PolarHBondContact N-O 3.01Å; S96-D119 PolarHBondContact N-O 3.22Å; D119-F121 WeakPolarHBondContact OD1-CB 3.42Å; D119-F121 PolarHBondContact OD1-N 3.43Å
120L97.8Very high96.5Very high0 Ų063.6 Ų63.60%034%0.336CS..  trans-123.815.9178.5-70.8168.9000110.8L95 I100 I106 L118 C123 V125 T126 Y131 L145 D146L95-L120 HydrophobicContact CB-CD2 3.88Å; L95-L120 HydrophobicContact CD1-CD2 4.21Å; I100-L120 HydrophobicContact CG1-CD2 4.35Å; I100-L120 HydrophobicContact CG2-CD2 4.44Å; I106-L120 HydrophobicContact CD1-CD1 3.99Å; I106-L120 HydrophobicContact CG2-CD1 4.34Å; I106-L120 HydrophobicContact CG2-CD2 4.22Å; L118-L120 HydrophobicContact CD1-CD2 4.44Å; L118-L120 HydrophobicContact CD1-CG 4.24Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.16Å; L118-L120 HydrophobicContact CG-CG 3.99Å; L120-C123 WeakPolarHBondContact O-CB 3.49Å; L120-C123 PolarHBondContact O-N 3.16Å; L120-C123 VanDerWaalsContact O-N 3.12Å; L120-C123 PolarHBondContact O-SG 2.92Å; L120-C123 VanDerWaalsContact O-SG 3.39Å; L120-V125 HydrophobicContact CB-CG1 4.44Å; L120-V125 HydrophobicContact CD1-CG1 4.35Å; L120-T126 WeakPolarHBondContact O-CG2 3.26Å; L120-Y131 VanDerWaalsContact CB-OH 3.29Å; L120-Y131 WeakPolarHBondContact CB-OH 3.36Å; L120-Y131 HydrophobicContact CD1-CE2 4.28Å; L120-Y131 VanDerWaalsContact CD1-OH 3.27Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.4Å; L120-L145 HydrophobicContact CD1-CD1 4.4Å; L120-D146 PolarHBondContact N-OD1 2.76Å
121F96.1Very high96.5Very high141 Ų14160.1 Ų60.162%0.61832%0.321SS*.THydrogen-bonded Turntrans-52.3143.3-179.3-169.8-100.2000111.3S96 G97 D119 C123 D146S96-F121 CarbonylContact C-O 3.16Å; S96-F121 WeakPolarHBondContact CA-O 3.31Å; S96-F121 WeakPolarHBondContact CB-O 3.35Å; G97-F121 PolarHBondContact N-O 2.89Å; D119-F121 WeakPolarHBondContact OD1-CB 3.42Å; D119-F121 PolarHBondContact OD1-N 3.43Å; F121-C123 PolarHBondContact O-N 3.1Å; F121-C123 VanDerWaalsContact O-N 3.15Å; F121-D146 PolarHBondContact N-OD1 2.9Å
122N96.3Very high96.5Very high113 Ų11357 Ų5760%0.60430%0.304SS*.THydrogen-bonded Turntrans58.524.8-178.8-163.536.3000114.8
123C97.6Very high96.5Very high5 Ų561.9 Ų61.93%0.03433%0.329CS..SBendtrans-94.5161.4164.7-68.30000111.5L95 I100 L120 F121 V125 T126L95-C123 PolarHBondContact O-SG 2.9Å; I100-C123 HydrophobicContact CB-CB 4.08Å; L120-C123 WeakPolarHBondContact O-CB 3.49Å; L120-C123 PolarHBondContact O-N 3.16Å; L120-C123 VanDerWaalsContact O-N 3.12Å; L120-C123 PolarHBondContact O-SG 2.92Å; L120-C123 VanDerWaalsContact O-SG 3.39Å; F121-C123 PolarHBondContact O-N 3.1Å; F121-C123 VanDerWaalsContact O-N 3.15Å; C123-V125 VanDerWaalsContact C-N 3.28Å; C123-V125 HydrophobicContact CB-CG1 3.89Å; C123-V125 PolarHBondContact O-N 3.26Å; C123-T126 PolarHBondContact O-N 2.87Å; C123-T126 PolarHBondContact O-OG1 3.25Å
124E96.7Very high96.6Very high82 Ų8261.3 Ų61.338%0.38331%0.312SS..G310 helixtrans-66.5-32.1178.6-73175.5-130.100112I100 K101 T126 N127I100-E124 PolarHBondContact O-N 3.15Å; K101-E124 HydrophobicContact CB-CB 4.42Å; K101-E124 HydrophobicContact CG-CB 4.2Å; K101-E124 WeakPolarHBondContact CG-OE2 3.26Å; K101-E124 IonicContact NZ-OE1 2.73Å; K101-E124 PolarHBondContact NZ-OE1 2.86Å; K101-E124 IonicContact NZ-OE2 2.81Å; K101-E124 PolarHBondContact NZ-OE2 3.31Å; E124-T126 PolarHBondContact O-N 3.04Å; E124-N127 WeakPolarHBondContact O-CB 3.19Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 VanDerWaalsContact O-N 3.15Å; E124-N127 PolarHBondContact O-ND2 3.42Å; E124-N127 VanDerWaalsContact O-ND2 3.08Å
125V96.6Very high96.7Very high0 Ų058.9 Ų58.90%030%0.295CS..G310 helixtrans-58.7-26.4179.271.90000113.8I100 K101 L103 L120 C123 N127 L128 Y131I100-V125 HydrophobicContact CB-CG1 4.43Å; I100-V125 HydrophobicContact CG2-CB 4.26Å; I100-V125 HydrophobicContact CG2-CG1 4.03Å; I100-V125 PolarHBondContact O-N 3.33Å; K101-V125 WeakPolarHBondContact O-CA 3.41Å; L103-V125 HydrophobicContact CD2-CG2 3.81Å; L103-V125 HydrophobicContact CG-CG2 4.31Å; L120-V125 HydrophobicContact CB-CG1 4.44Å; L120-V125 HydrophobicContact CD1-CG1 4.35Å; C123-V125 VanDerWaalsContact C-N 3.28Å; C123-V125 HydrophobicContact CB-CG1 3.89Å; C123-V125 PolarHBondContact O-N 3.26Å; V125-N127 PolarHBondContact O-N 3.33Å; V125-L128 HydrophobicContact CG2-CD1 3.74Å; V125-L128 WeakPolarHBondContact O-CB 3.42Å; V125-L128 VanDerWaalsContact O-CG 3.28Å; V125-L128 WeakPolarHBondContact O-CG 3.31Å; V125-L128 PolarHBondContact O-N 3.46Å; V125-Y131 HydrophobicContact CG1-CE2 3.91Å; V125-Y131 HydrophobicContact CG2-CD2 4.17Å; V125-Y131 HydrophobicContact CG2-CE2 4.12Å; V125-Y131 VanDerWaalsContact O-CD2 3.24Å; V125-Y131 WeakPolarHBondContact O-CD2 3.46Å
126T95.9Very high96.6Very high45 Ų4559.5 Ų59.528%0.27630%0.298SS..G310 helixtrans-70.2-15.5-179.467.40000112.7L120 C123 E124 L128 Y131L120-T126 WeakPolarHBondContact O-CG2 3.26Å; C123-T126 PolarHBondContact O-N 2.87Å; C123-T126 PolarHBondContact O-OG1 3.25Å; E124-T126 PolarHBondContact O-N 3.04Å; T126-L128 VanDerWaalsContact C-N 3.3Å; T126-Y131 HydrophobicContact CG2-CE1 4.23Å; T126-Y131 HydrophobicContact CG2-CE2 4.49Å
127N95.9Very high96.6Very high129 Ų12963.9 Ų63.969%0.6932%0.317SS*.G310 helixtrans-84.7-3.8176.9-57.3-66.4000113E124 V125E124-N127 WeakPolarHBondContact O-CB 3.19Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 VanDerWaalsContact O-N 3.15Å; E124-N127 PolarHBondContact O-ND2 3.42Å; E124-N127 VanDerWaalsContact O-ND2 3.08Å; V125-N127 PolarHBondContact O-N 3.33Å
128L95.2Very high96.6Very high70 Ų7065.2 Ų65.237%0.36632%0.322SS..SBendtrans-70.9145.5177.9-62179.3000110.8L103 V125 T126 Y131L103-L128 HydrophobicContact CG-CD1 4.12Å; V125-L128 HydrophobicContact CG2-CD1 3.74Å; V125-L128 WeakPolarHBondContact O-CB 3.42Å; V125-L128 VanDerWaalsContact O-CG 3.28Å; V125-L128 WeakPolarHBondContact O-CG 3.31Å; V125-L128 PolarHBondContact O-N 3.46Å; T126-L128 VanDerWaalsContact C-N 3.3Å; L128-Y131 VanDerWaalsContact O-CB 3.27Å; L128-Y131 WeakPolarHBondContact O-CB 3.43Å; L128-Y131 PolarHBondContact O-N 3.15Å
129N95.1Very high96.6Very high144 Ų14465.2 Ų65.277%0.7732%0.322SS*.THydrogen-bonded Turntrans-63.4140.5173.7-66.7-25.1000110.3Y131 N134N129-Y131 PolarHBondContact O-N 2.96Å; N129-Y131 VanDerWaalsContact O-N 3.11Å; N129-N134 PolarHBondContact O-ND2 3.25Å
130E95.2Very high96.4Very high138 Ų13867.6 Ų67.665%0.64534%0.34SS*.THydrogen-bonded Turntrans54.130.1-179.7-56.3178.1161.100112.3R132 D133 N134E130-R132 PolarHBondContact O-N 2.79Å; E130-D133 HydrophobicContact CB-CB 4.49Å; E130-D133 PolarHBondContact O-N 3.08Å; E130-N134 WeakPolarHBondContact O-CB 3.32Å; E130-N134 VanDerWaalsContact O-CG 3.3Å; E130-N134 PolarHBondContact O-N 2.78Å; E130-N134 PolarHBondContact O-ND2 3.03Å; E130-N134 VanDerWaalsContact O-ND2 3.12Å
131Y95.8Very high96.4Very high15 Ų1570 Ų706%0.05935%0.351CS..Hα-helixtrans-48.2-55.8-175.8158-105.7000112.4L120 V125 T126 L128 N129 D133 N134 V135 L145 D146L120-Y131 VanDerWaalsContact CB-OH 3.29Å; L120-Y131 WeakPolarHBondContact CB-OH 3.36Å; L120-Y131 HydrophobicContact CD1-CE2 4.28Å; L120-Y131 VanDerWaalsContact CD1-OH 3.27Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.4Å; V125-Y131 HydrophobicContact CG1-CE2 3.91Å; V125-Y131 HydrophobicContact CG2-CD2 4.17Å; V125-Y131 HydrophobicContact CG2-CE2 4.12Å; V125-Y131 VanDerWaalsContact O-CD2 3.24Å; V125-Y131 WeakPolarHBondContact O-CD2 3.46Å; T126-Y131 HydrophobicContact CG2-CE1 4.23Å; T126-Y131 HydrophobicContact CG2-CE2 4.49Å; L128-Y131 VanDerWaalsContact O-CB 3.27Å; L128-Y131 WeakPolarHBondContact O-CB 3.43Å; L128-Y131 PolarHBondContact O-N 3.15Å; N129-Y131 PolarHBondContact O-N 2.96Å; N129-Y131 VanDerWaalsContact O-N 3.11Å; Y131-D133 PolarHBondContact O-N 3.39Å; Y131-N134 PolarHBondContact O-N 3.05Å; Y131-V135 HydrophobicContact CD2-CG2 3.8Å; Y131-V135 HydrophobicContact CE2-CG2 3.39Å; Y131-V135 VanDerWaalsContact O-CG2 3.31Å; Y131-V135 WeakPolarHBondContact O-CG2 3.35Å; Y131-V135 PolarHBondContact O-N 3.34Å; Y131-L145 HydrophobicContact CE1-CD2 3.98Å; Y131-L145 HydrophobicContact CE1-CG 4.5Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.42Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.5Å; Y131-D146 PolarHBondContact OH-OD2 2.98Å
132R96.2Very high96.4Very high66 Ų6663.4 Ų63.425%0.24932%0.322CS..Hα-helixtrans-59.6-49.2-178.1-66.1-177.164.378.8-0.3111.9E130 N134 V135 F136 L145 D146 Y148 D149E130-R132 PolarHBondContact O-N 2.79Å; R132-N134 VanDerWaalsContact C-N 3.3Å; R132-N134 PolarHBondContact O-N 2.76Å; R132-V135 PolarHBondContact O-N 2.72Å; R132-F136 WeakPolarHBondContact O-CD2 3.33Å; R132-F136 PolarHBondContact O-N 3.03Å; R132-L145 HydrophobicContact CB-CD2 4.21Å; R132-L145 HydrophobicContact CG-CD2 4.09Å; R132-L145 PolarHBondContact NH1-O 2.92Å; R132-L145 PolarHBondContact NH2-O 3.46Å; R132-D146 IonicContact NH1-OD2 3.42Å; R132-Y148 PolarHBondContact NH2-O 2.93Å; R132-D149 PolarHBondContact NH2-O 3.42Å
133D96.2Very high96.4Very high103 Ų10361 Ų6155%0.55131%0.312SS*.Hα-helixtrans-61.5-39.5-179.6-69-31.9000112E130 Y131 K137E130-D133 HydrophobicContact CB-CB 4.49Å; E130-D133 PolarHBondContact O-N 3.08Å; Y131-D133 PolarHBondContact O-N 3.39Å; D133-K137 WeakPolarHBondContact O-CB 3.48Å; D133-K137 PolarHBondContact O-N 2.94Å
134N97.3Very high96.4Very high49 Ų4963.3 Ų63.326%0.26232%0.32SS..Hα-helixtrans-69.8-39.7177.8-72.6-36.5000111.9L103 N129 E130 Y131 R132 K137 L138L103-N134 HydrophobicContact CD1-CB 3.62Å; N129-N134 PolarHBondContact O-ND2 3.25Å; E130-N134 WeakPolarHBondContact O-CB 3.32Å; E130-N134 VanDerWaalsContact O-CG 3.3Å; E130-N134 PolarHBondContact O-N 2.78Å; E130-N134 PolarHBondContact O-ND2 3.03Å; E130-N134 VanDerWaalsContact O-ND2 3.12Å; Y131-N134 PolarHBondContact O-N 3.05Å; R132-N134 VanDerWaalsContact C-N 3.3Å; R132-N134 PolarHBondContact O-N 2.76Å; N134-K137 PolarHBondContact O-N 3.28Å; N134-L138 VanDerWaalsContact O-CB 3.29Å; N134-L138 WeakPolarHBondContact O-CB 3.44Å; N134-L138 PolarHBondContact O-N 2.81Å
135V97.3Very high96.4Very high0 Ų059.4 Ų59.40%030%0.302CS..Hα-helixtrans-63.4-48.1173.8173.60000110.6L103 I106 Y131 R132 K137 L138 L139 L142 L145L103-V135 HydrophobicContact CD2-CG2 3.7Å; I106-V135 HydrophobicContact CD1-CG1 4.4Å; I106-V135 HydrophobicContact CD1-CG2 3.92Å; Y131-V135 HydrophobicContact CD2-CG2 3.8Å; Y131-V135 HydrophobicContact CE2-CG2 3.39Å; Y131-V135 VanDerWaalsContact O-CG2 3.31Å; Y131-V135 WeakPolarHBondContact O-CG2 3.35Å; Y131-V135 PolarHBondContact O-N 3.34Å; R132-V135 PolarHBondContact O-N 2.72Å; V135-K137 VanDerWaalsContact C-N 3.28Å; V135-K137 PolarHBondContact O-N 3.16Å; V135-L138 PolarHBondContact O-N 3.02Å; V135-L138 VanDerWaalsContact O-N 3.07Å; V135-L139 HydrophobicContact CG1-CD1 4.27Å; V135-L139 PolarHBondContact O-N 3.14Å; V135-L142 HydrophobicContact CG1-CD2 4.17Å; V135-L145 HydrophobicContact CB-CD2 3.76Å; V135-L145 HydrophobicContact CG1-CD1 3.89Å; V135-L145 HydrophobicContact CG1-CD2 3.72Å; V135-L145 HydrophobicContact CG1-CG 4.42Å; V135-L145 HydrophobicContact CG2-CD2 4.24Å
136F97.1Very high96.4Very high15 Ų1561 Ų617%0.06631%0.31CS..Hα-helixtrans-66.2-27.4178.6-79.3-59000113.8R132 L142 L145 K150R132-F136 WeakPolarHBondContact O-CD2 3.33Å; R132-F136 PolarHBondContact O-N 3.03Å; F136-L142 HydrophobicContact CD1-CB 4.36Å; F136-L142 HydrophobicContact CD1-CD2 4.44Å; F136-L142 HydrophobicContact CE1-CB 4.37Å; F136-L142 HydrophobicContact CE1-CD2 4.15Å; F136-L142 HydrophobicContact CE1-CG 4.32Å; F136-L145 HydrophobicContact CE1-CB 4.25Å; F136-L145 HydrophobicContact CE2-CB 4.01Å; F136-L145 HydrophobicContact CE2-CD2 4.23Å; F136-L145 HydrophobicContact CZ-CB 3.63Å; F136-K150 HydrophobicContact CD1-CD 4.17Å; F136-K150 HydrophobicContact CD1-CG 3.78Å; F136-K150 HydrophobicContact CD2-CG 3.81Å; F136-K150 HydrophobicContact CE1-CG 3.77Å; F136-K150 HydrophobicContact CE2-CG 3.81Å; F136-K150 HydrophobicContact CG-CD 4.25Å; F136-K150 HydrophobicContact CG-CG 3.79Å; F136-K150 HydrophobicContact CZ-CG 3.79Å
137K97Very high96.3Very high167 Ų16760.2 Ų60.273%0.72631%0.311SS*.Hα-helixtrans-71.2-39.1169.2-90.1176.8178.9163.20112.4D133 N134 V135D133-K137 WeakPolarHBondContact O-CB 3.48Å; D133-K137 PolarHBondContact O-N 2.94Å; N134-K137 PolarHBondContact O-N 3.28Å; V135-K137 VanDerWaalsContact C-N 3.28Å; V135-K137 PolarHBondContact O-N 3.16Å
138L97.3Very high96.3Very high48 Ų4858.6 Ų58.625%0.25130%0.296SS..Hα-helixtrans-73.3-39.9-178.5-175.863.3000111.9L103 I106 E107 N134 V135 P140L103-L138 HydrophobicContact CB-CD2 4.2Å; L103-L138 WeakPolarHBondContact O-CD2 3.4Å; I106-L138 HydrophobicContact CD1-CD2 4.34Å; I106-L138 HydrophobicContact CG1-CD2 4.02Å; E107-L138 HydrophobicContact CB-CD1 4.26Å; E107-L138 HydrophobicContact CB-CD2 4.26Å; E107-L138 HydrophobicContact CG-CD1 4.06Å; N134-L138 VanDerWaalsContact O-CB 3.29Å; N134-L138 WeakPolarHBondContact O-CB 3.44Å; N134-L138 PolarHBondContact O-N 2.81Å; V135-L138 PolarHBondContact O-N 3.02Å; V135-L138 VanDerWaalsContact O-N 3.07Å; L138-P140 VanDerWaalsContact C-CD 3.48Å; L138-P140 VanDerWaalsContact O-CD 3.28Å; L138-P140 WeakPolarHBondContact O-CD 3.02Å
139L97.1Very high96.3Very high1 Ų156.6 Ų56.61%0.00529%0.285CS..  trans-118.975-176.5-55.5179.8000109.3L109 K110 L118 V135 Q141 L142L109-L139 HydrophobicContact CB-CD1 4.26Å; L109-L139 HydrophobicContact CB-CD2 4.12Å; K110-L139 HydrophobicContact CB-CD2 3.82Å; K110-L139 VanDerWaalsContact N-CD2 3.33Å; L118-L139 HydrophobicContact CD2-CD1 3.83Å; V135-L139 HydrophobicContact CG1-CD1 4.27Å; V135-L139 PolarHBondContact O-N 3.14Å; L139-Q141 VanDerWaalsContact C-OE1 3.27Å; L139-Q141 PolarHBondContact O-N 3.11Å; L139-L142 HydrophobicContact CB-CB 4.22Å; L139-L142 VanDerWaalsContact O-CB 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.31Å; L139-L142 PolarHBondContact O-N 3.3Å; L139-L142 VanDerWaalsContact O-N 3.12Å
140P95.8Very high96.2Very high89 Ų8955.9 Ų55.958%0.57828%0.275SS*.THydrogen-bonded Turntrans-66.9-19.8-175.427.6-36000114L138 L142L138-P140 VanDerWaalsContact C-CD 3.48Å; L138-P140 VanDerWaalsContact O-CD 3.28Å; L138-P140 WeakPolarHBondContact O-CD 3.02Å; P140-L142 PolarHBondContact O-N 3.39Å
141Q95.9Very high96.1Very high49 Ų4955.7 Ų55.723%0.22928%0.275CS..THydrogen-bonded Turntrans-70.4-19.1174.268.7-93.453.200113.3L109 K110 L112 L115 L139 T143L109-Q141 PolarHBondContact O-NE2 3.42Å; K110-Q141 PolarHBondContact O-NE2 3.05Å; L112-Q141 PolarHBondContact O-NE2 3.22Å; L115-Q141 WeakPolarHBondContact O-CG 3.43Å; L139-Q141 VanDerWaalsContact C-OE1 3.27Å; L139-Q141 PolarHBondContact O-N 3.11Å; Q141-T143 PolarHBondContact O-N 2.93Å
142L96.9Very high96Very high3 Ų360.6 Ų60.62%0.01630%0.302CS..  trans-72.3130.5-173.8-164.173.3000110.7L115 K116 L118 V135 F136 L139 P140 Y144 L145L115-L142 HydrophobicContact CD2-CD1 4.48Å; L115-L142 HydrophobicContact CG-CD1 4.32Å; K116-L142 WeakPolarHBondContact O-CD1 3.13Å; L118-L142 HydrophobicContact CB-CD1 3.61Å; L118-L142 HydrophobicContact CB-CD2 3.96Å; L118-L142 HydrophobicContact CB-CG 4.45Å; V135-L142 HydrophobicContact CG1-CD2 4.17Å; F136-L142 HydrophobicContact CD1-CB 4.36Å; F136-L142 HydrophobicContact CD1-CD2 4.44Å; F136-L142 HydrophobicContact CE1-CB 4.37Å; F136-L142 HydrophobicContact CE1-CD2 4.15Å; F136-L142 HydrophobicContact CE1-CG 4.32Å; L139-L142 HydrophobicContact CB-CB 4.22Å; L139-L142 VanDerWaalsContact O-CB 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.31Å; L139-L142 PolarHBondContact O-N 3.3Å; L139-L142 VanDerWaalsContact O-N 3.12Å; P140-L142 PolarHBondContact O-N 3.39Å; L142-Y144 WeakPolarHBondContact CD1-O 3.16Å; L142-Y144 WeakPolarHBondContact CD2-O 3.34Å; L142-Y144 VanDerWaalsContact CG-O 3.3Å; L142-Y144 WeakPolarHBondContact CG-O 3.41Å; L142-L145 HydrophobicContact CD2-CB 3.95Å; L142-L145 HydrophobicContact CD2-CD1 3.99Å; L142-L145 HydrophobicContact CD2-CG 4.49Å
143T96.5Very high95.9Very high64 Ų6463 Ų6339%0.39331%0.314SS..  trans-95.7-45.5175.7-55.70000110.5K116 Q141 D149K116-T143 PolarHBondContact O-N 3.22Å; Q141-T143 PolarHBondContact O-N 2.93Å; T143-D149 WeakPolarHBondContact O-CA 3.42Å
144Y97.4Very high95.8Very high53 Ų5365.2 Ų65.221%0.20832%0.321CS..EExtended strand (participates in β ladder)trans-121.1135-176.3-56.3-73.4000111.4K116 S117 L118 L142 D149 A155 P156K116-Y144 PolarHBondContact O-N 2.85Å; S117-Y144 WeakPolarHBondContact CA-O 3.25Å; L118-Y144 PolarHBondContact N-O 3.32Å; L118-Y144 VanDerWaalsContact N-O 3.08Å; L142-Y144 WeakPolarHBondContact CD1-O 3.16Å; L142-Y144 WeakPolarHBondContact CD2-O 3.34Å; L142-Y144 VanDerWaalsContact CG-O 3.3Å; L142-Y144 WeakPolarHBondContact CG-O 3.41Å; Y144-D149 HydrophobicContact CD1-CB 3.87Å; Y144-D149 HydrophobicContact CE1-CB 3.93Å; Y144-A155 HydrophobicContact CD1-CB 3.52Å; Y144-A155 HydrophobicContact CD2-CB 4.18Å; Y144-A155 HydrophobicContact CE1-CB 3.78Å; Y144-A155 HydrophobicContact CE2-CB 4.39Å; Y144-A155 HydrophobicContact CG-CB 3.74Å; Y144-P156 WeakPolarHBondContact OH-CD 3.25Å
145L97.8Very high95.4Very high0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-127.4124.9174.4-178.663.5000109L118 L120 Y131 R132 V135 F136 L142 G147 Y148L118-L145 HydrophobicContact CB-CD1 4.36Å; L118-L145 HydrophobicContact CD2-CD1 4.41Å; L118-L145 HydrophobicContact CG-CD1 4.32Å; L118-L145 CarbonylContact O-C 3.55Å; L118-L145 VanDerWaalsContact O-CA 3.32Å; L118-L145 WeakPolarHBondContact O-CA 3.49Å; L120-L145 HydrophobicContact CD1-CD1 4.4Å; Y131-L145 HydrophobicContact CE1-CD2 3.98Å; Y131-L145 HydrophobicContact CE1-CG 4.5Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.42Å; R132-L145 HydrophobicContact CB-CD2 4.21Å; R132-L145 HydrophobicContact CG-CD2 4.09Å; R132-L145 PolarHBondContact NH1-O 2.92Å; R132-L145 PolarHBondContact NH2-O 3.46Å; V135-L145 HydrophobicContact CB-CD2 3.76Å; V135-L145 HydrophobicContact CG1-CD1 3.89Å; V135-L145 HydrophobicContact CG1-CD2 3.72Å; V135-L145 HydrophobicContact CG1-CG 4.42Å; V135-L145 HydrophobicContact CG2-CD2 4.24Å; F136-L145 HydrophobicContact CE1-CB 4.25Å; F136-L145 HydrophobicContact CE2-CB 4.01Å; F136-L145 HydrophobicContact CE2-CD2 4.23Å; F136-L145 HydrophobicContact CZ-CB 3.63Å; L142-L145 HydrophobicContact CD2-CB 3.95Å; L142-L145 HydrophobicContact CD2-CD1 3.99Å; L142-L145 HydrophobicContact CD2-CG 4.49Å; L145-G147 PolarHBondContact O-N 3.47Å; L145-Y148 PolarHBondContact N-O 3.37Å; L145-Y148 PolarHBondContact O-N 2.83Å
146D96.3Very high94.8Very high33 Ų3367 Ų6718%0.17634%0.337CS..THydrogen-bonded Turntrans52.734.2-178-50.2-42.1000113.1L118 L120 F121 Y131 R132 Y148L118-D146 PolarHBondContact O-N 2.98Å; L120-D146 PolarHBondContact N-OD1 2.76Å; F121-D146 PolarHBondContact N-OD1 2.9Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.5Å; Y131-D146 PolarHBondContact OH-OD2 2.98Å; R132-D146 IonicContact NH1-OD2 3.42Å; D146-Y148 VanDerWaalsContact O-CD2 3.24Å; D146-Y148 WeakPolarHBondContact O-CD2 3.49Å
147G94.1Very high93.4Very high28 Ų2873 Ų7329%0.28937%0.37SS..THydrogen-bonded Turntrans85.33.2-178.900000115.8L145 E154 A155L145-G147 PolarHBondContact O-N 3.47Å; G147-E154 CarbonylContact O-C 3.42Å; G147-E154 WeakPolarHBondContact O-CA 3.38Å; G147-A155 PolarHBondContact O-N 3.1Å
148Y95.7Very high91.4Very high96 Ų9666.9 Ų66.938%0.37635%0.349SS..BIsolated β-bridgetrans-131146-179.5-59.5-96.9000112.3R132 L145 D146 K153 E154R132-Y148 PolarHBondContact NH2-O 2.93Å; L145-Y148 PolarHBondContact N-O 3.37Å; L145-Y148 PolarHBondContact O-N 2.83Å; D146-Y148 VanDerWaalsContact O-CD2 3.24Å; D146-Y148 WeakPolarHBondContact O-CD2 3.49Å; Y148-K153 CarbonylContact C-O 3.57Å; Y148-K153 VanDerWaalsContact CA-O 3.28Å; Y148-K153 WeakPolarHBondContact CA-O 3.44Å; Y148-E154 HydrophobicContact CD1-CB 4.35Å; Y148-E154 HydrophobicContact CE1-CB 4.18Å
149D95.3Very high89.3Confident27 Ų2769.6 Ų69.614%0.14436%0.363CS..  trans-78.2-171.4174771.8000113.1R132 T143 Y144 E151 D152 K153R132-D149 PolarHBondContact NH2-O 3.42Å; T143-D149 WeakPolarHBondContact O-CA 3.42Å; Y144-D149 HydrophobicContact CD1-CB 3.87Å; Y144-D149 HydrophobicContact CE1-CB 3.93Å; D149-E151 PolarHBondContact O-N 2.88Å; D149-E151 VanDerWaalsContact OD1-C 3.24Å; D149-E151 VanDerWaalsContact OD1-CA 3.26Å; D149-E151 WeakPolarHBondContact OD1-CA 3.43Å; D149-E151 PolarHBondContact OD1-N 3.07Å; D149-D152 PolarHBondContact O-N 2.73Å; D149-D152 PolarHBondContact OD1-N 3.2Å; D149-K153 PolarHBondContact N-O 3.09Å; D149-K153 WeakPolarHBondContact OD1-CB 3.4Å; D149-K153 PolarHBondContact OD1-N 3.16Å
150K92.8Very high87.1Confident129 Ų12973 Ų7356%0.56139%0.391SS*.THydrogen-bonded Turntrans-67.8-20.4176.6-65.6177.8-173.3175.20113.4F136F136-K150 HydrophobicContact CD1-CD 4.17Å; F136-K150 HydrophobicContact CD1-CG 3.78Å; F136-K150 HydrophobicContact CD2-CG 3.81Å; F136-K150 HydrophobicContact CE1-CG 3.77Å; F136-K150 HydrophobicContact CE2-CG 3.81Å; F136-K150 HydrophobicContact CG-CD 4.25Å; F136-K150 HydrophobicContact CG-CG 3.79Å; F136-K150 HydrophobicContact CZ-CG 3.79Å
151E93.3Very high84.9Confident134 Ų13472.8 Ų72.863%0.62638%0.382SS*.THydrogen-bonded Turntrans-100.310.9-179.4-57.7-170.7138.500112.5D149 K153D149-E151 PolarHBondContact O-N 2.88Å; D149-E151 VanDerWaalsContact OD1-C 3.24Å; D149-E151 VanDerWaalsContact OD1-CA 3.26Å; D149-E151 WeakPolarHBondContact OD1-CA 3.43Å; D149-E151 PolarHBondContact OD1-N 3.07Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 HydrophobicContact CB-CD 4.42Å; E151-K153 HydrophobicContact CB-CG 4.39Å; E151-K153 PolarHBondContact O-N 3.05Å; E151-K153 WeakPolarHBondContact OE2-CE 3.24Å; E151-K153 IonicContact OE2-NZ 2.64Å; E151-K153 PolarHBondContact OE2-NZ 3.43Å
152D93.6Very high82.8Confident118 Ų11872 Ų7263%0.63138%0.381SS*.SBendtrans64.227.8-178-152.439.1000113.5D149D149-D152 PolarHBondContact O-N 2.73Å; D149-D152 PolarHBondContact OD1-N 3.2Å
153K94.1Very high80.6Confident118 Ų11880.3 Ų80.351%0.51341%0.414SS..PPolyproline II helixtrans-89.8130.9172-61.9171.4179.1161.20109.7Y148 D149 E151Y148-K153 CarbonylContact C-O 3.57Å; Y148-K153 VanDerWaalsContact CA-O 3.28Å; Y148-K153 WeakPolarHBondContact CA-O 3.44Å; D149-K153 PolarHBondContact N-O 3.09Å; D149-K153 WeakPolarHBondContact OD1-CB 3.4Å; D149-K153 PolarHBondContact OD1-N 3.16Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 HydrophobicContact CB-CD 4.42Å; E151-K153 HydrophobicContact CB-CG 4.39Å; E151-K153 PolarHBondContact O-N 3.05Å; E151-K153 WeakPolarHBondContact OE2-CE 3.24Å; E151-K153 IonicContact OE2-NZ 2.64Å; E151-K153 PolarHBondContact OE2-NZ 3.43Å
154E93.4Very high78.3Confident148 Ų14880.6 Ų80.669%0.69242%0.422SS*.BIsolated β-bridgetrans-61135.8175.3-169.7171.1-161.900110.4G147 Y148G147-E154 CarbonylContact O-C 3.42Å; G147-E154 WeakPolarHBondContact O-CA 3.38Å; Y148-E154 HydrophobicContact CD1-CB 4.35Å; Y148-E154 HydrophobicContact CE1-CB 4.18Å
155A89.2Confident76.1Confident24 Ų2484.7 Ų84.720%0.19844%0.443CS..PPolyproline II helixtrans-62.2142.1174.200000109.6Y144 G147Y144-A155 HydrophobicContact CD1-CB 3.52Å; Y144-A155 HydrophobicContact CD2-CB 4.18Å; Y144-A155 HydrophobicContact CE1-CB 3.78Å; Y144-A155 HydrophobicContact CE2-CB 4.39Å; Y144-A155 HydrophobicContact CG-CB 3.74Å; G147-A155 PolarHBondContact O-N 3.1Å
156P83.7Confident73.7Confident62 Ų6287.6 Ų87.640%0.40347%0.473SS..PPolyproline II helixtrans-60.1152168.928.1-33.1000109.6Y144 S158Y144-P156 WeakPolarHBondContact OH-CD 3.25Å; P156-S158 PolarHBondContact O-N 2.92Å
157D67.6Low71.3Confident143 Ų14393 Ų9377%0.76550%0.501SS*.  trans-51.3106.8178.5-75.6-38.3000110.2D159 A160D157-D159 PolarHBondContact O-N 3Å; D157-A160 PolarHBondContact O-N 3.1Å
158S55.8Low69Low38 Ų3898.6 Ų98.627%0.26652%0.524SS..THydrogen-bonded Turntrans-58.9-15.9-170.162.30000114.8K68 P156 A160K68-S158 PolarHBondContact NZ-OG 3.48Å; P156-S158 PolarHBondContact O-N 2.92Å; S158-A160 VanDerWaalsContact C-N 3.29Å; S158-A160 PolarHBondContact O-N 3.33Å
159D53.1Low66.7Low105 Ų105101.4 Ų101.456%0.56155%0.546SS*.THydrogen-bonded Turntrans-75.9-17177.7-67.1-16.8000112.6K68 D157 Y163K68-D159 IonicContact NZ-OD1 2.63Å; K68-D159 PolarHBondContact NZ-OD1 3.06Å; D157-D159 PolarHBondContact O-N 3Å; D159-Y163 VanDerWaalsContact O-CD2 3.22Å; D159-Y163 WeakPolarHBondContact O-CD2 3.43Å; D159-Y163 WeakPolarHBondContact O-CE2 3.46Å
160A49.9Very low64.6Low71 Ų71107.7 Ų107.759%0.58757%0.574SS**THydrogen-bonded Turntrans-81-27.4178.400000113.4D157 S158D157-A160 PolarHBondContact O-N 3.1Å; S158-A160 VanDerWaalsContact C-N 3.29Å; S158-A160 PolarHBondContact O-N 3.33Å
161E50.7Low62.4Low85 Ų85108.8 Ų108.840%0.39759%0.586SS.*THydrogen-bonded Turntrans-87.8-21.4-173.1-65.6-157.2172.200114.3Y163 A164E161-Y163 PolarHBondContact O-N 3.34Å; E161-A164 PolarHBondContact O-N 2.82Å
162V51.5Low60.5Low33 Ų33110.2 Ų110.220%0.259%0.593CS.*THydrogen-bonded Turntrans-64.3-29.4178.1-179.90000111.7K67K67-V162 HydrophobicContact CD-CG1 4.29Å
163Y49.9Very low58.2Low178 Ų178111.2 Ų111.270%0.69860%0.599SS**THydrogen-bonded Turntrans-89.9-14.7-178.6-60.6-76.4000114.4D159 E161D159-Y163 VanDerWaalsContact O-CD2 3.22Å; D159-Y163 WeakPolarHBondContact O-CD2 3.43Å; D159-Y163 WeakPolarHBondContact O-CE2 3.46Å; E161-Y163 PolarHBondContact O-N 3.34Å
164A48.4Very low56.1Low69 Ų69114 Ų11457%0.5761%0.613SS**G310 helixtrans-83.7-27.7-17400000113.2E161 G166E161-A164 PolarHBondContact O-N 2.82Å; A164-G166 VanDerWaalsContact C-N 3.3Å; A164-G166 PolarHBondContact O-N 3.07Å
165E50.9Low54Low140 Ų140114.1 Ų114.165%0.65462%0.619SS**G310 helixtrans-91.423-177.4-62.1-158.1-165.800113.9K116K116-E165 IonicContact NZ-OE1 2.85Å; K116-E165 PolarHBondContact NZ-OE1 3.42Å
166G47.7Very low51.9Low60 Ų60120 Ų12062%0.61965%0.647SS**G310 helixtrans-110.913.3177.400000115.1A164A164-G166 VanDerWaalsContact C-N 3.3Å; A164-G166 PolarHBondContact O-N 3.07Å
167L45.8Very low50.4Low148 Ų148126 Ų12678%0.77567%0.669SS**SBendtrans-115.311.6-177-68.1177.8000114.4
168D46.2Very low49.3Very low144 Ų144125.4 Ų125.477%0.7766%0.662SS**  trans-111.527.8-178.7-93.214.2000113.1E170D168-E170 VanDerWaalsContact C-N 3.26Å; D168-E170 PolarHBondContact O-N 3.35Å
169D48.8Very low48.9Very low156 Ų156132.7 Ų132.783%0.83469%0.692SS**  trans-87.580.5155.3-78.8-36.6000107.4D171D169-D171 PolarHBondContact O-N 2.68Å
170E49.5Very low48.5Very low158 Ų158137 Ų13774%0.73870%0.702SS**  trans-60.286.6157-73.1179.2164.100108.3D168 E172D168-E170 VanDerWaalsContact C-N 3.26Å; D168-E170 PolarHBondContact O-N 3.35Å; E170-E172 PolarHBondContact O-N 3.08Å; E170-E172 VanDerWaalsContact O-N 3.16Å
171D47.7Very low48.2Very low153 Ų153140.7 Ų140.782%0.81871%0.711SS**  trans-79.468.5150.8-74.3-43.1000107.4D169 D173D169-D171 PolarHBondContact O-N 2.68Å; D171-D173 PolarHBondContact O-N 2.99Å
172E53Low48.3Very low163 Ų163145.2 Ų145.276%0.76273%0.733SS**  trans-75.495.9152.5-88.6-168.7164.500106.8E170E170-E172 PolarHBondContact O-N 3.08Å; E170-E172 VanDerWaalsContact O-N 3.16Å
173D45.9Very low48.1Very low140 Ų140150.9 Ų150.975%0.74976%0.762SS**  trans-146.3102.6156.4-87-38.8000110.4D171D171-D173 PolarHBondContact O-N 2.99Å
174E48.5Very low47.8Very low175 Ų175147.4 Ų147.482%0.81877%0.77SS**  trans66.7109.5136.5-62.7-175.316300120.7
175D50.4Low47.8Very low152 Ų152152.2 Ų152.281%0.81379%0.785SS**  32.6106.7128-75.6-21.8000117.8
176D45.1Very low48Very low148 Ų148151.3 Ų151.379%0.79179%0.791SS**  trans-142.796.9136.2-124.8-19.4000109.2E178D176-E178 VanDerWaalsContact C-N 3.32Å; D176-E178 PolarHBondContact O-N 3.33Å
177E51.1Low47.6Very low186 Ų186152.2 Ų152.287%0.86980%0.8SS**  trans-6889.1163.4-77.1-174165.700108.4E179E177-E179 PolarHBondContact O-N 2.89Å
178E45.3Very low47.6Very low132 Ų132152.8 Ų152.862%0.61780%0.804SS**  trans-80.2100.6161.1-70.8-13917000109.6D176 Y180D176-E178 VanDerWaalsContact C-N 3.32Å; D176-E178 PolarHBondContact O-N 3.33Å; E178-Y180 HydrophobicContact CB-CE2 4.03Å; E178-Y180 WeakPolarHBondContact O-CD2 3.4Å; E178-Y180 WeakPolarHBondContact O-CE2 3.3Å; E178-Y180 PolarHBondContact O-N 2.81Å; E178-Y180 VanDerWaalsContact O-N 3.15Å
179E47.5Very low47.6Very low190 Ų190153.9 Ų153.989%0.88881%0.805SS**  trans-60.699.9165.6-175.5176.5-165.300109.4E177 D181E177-E179 PolarHBondContact O-N 2.89Å; E179-D181 PolarHBondContact O-N 2.83Å
180Y45.1Very low47.2Very low196 Ų196153.9 Ų153.977%0.76980%0.8SS**  trans-79.2105.9171.1-66.2-85.3000109.6E178 E182E178-Y180 HydrophobicContact CB-CE2 4.03Å; E178-Y180 WeakPolarHBondContact O-CD2 3.4Å; E178-Y180 WeakPolarHBondContact O-CE2 3.3Å; E178-Y180 PolarHBondContact O-N 2.81Å; E178-Y180 VanDerWaalsContact O-N 3.15Å; Y180-E182 PolarHBondContact O-N 2.99Å
181D43Very low46.7Very low148 Ų148153.1 Ų153.179%0.79180%0.801SS**  trans-57.8116.3174.7-1635.6000111.2E179 D183E179-D181 PolarHBondContact O-N 2.83Å; D181-D183 PolarHBondContact O-N 2.74Å
182E53.1Low46.8Very low181 Ų181155.1 Ų155.185%0.84681%0.805SS**  trans-83.385.6176.2-178.2-178.3-176.400108.8Y180Y180-E182 PolarHBondContact O-N 2.99Å
183D47.9Very low46.6Very low152 Ų152156.5 Ų156.581%0.81381%0.812SS**  trans-165.389.4164.3-98.8-31.9000113.3D181D181-D183 PolarHBondContact O-N 2.74Å
184A43.4Very low46.5Very low104 Ų104153.2 Ų153.286%0.8681%0.81SS**  trans-163.2112.9146.800000112
185L47.7Very low46.3Very low171 Ų171153.2 Ų153.290%0.89581%0.81SS**  trans-62.3160.8177.1-83162.8000114.4
186P54.5Low46.1Very low121 Ų121152.8 Ų152.879%0.78681%0.808SS**  trans-81.7145.9-171.634.7-33.6000112.2
187G40.2Very low46.2Very low78 Ų78153.1 Ų153.180%0.80481%0.81SS**  trans-120.6114167.600000109.1
188D45.7Very low46.2Very low161 Ų161152.7 Ų152.786%0.86181%0.808SS**  trans-58.1175.3169.3-111.5-33.2000113
189E46.8Very low46.5Very low166 Ų166155 Ų15578%0.77682%0.819SS**  trans93.6133.8162.6-52.9-171.2-161.800116
190E39.6Very low46.5Very low156 Ų156154.8 Ų154.873%0.72982%0.818SS**  cis-171.8157.5-17.3-115.5170.3-16200103.4
191D40.1Very low46.4Very low142 Ų142152.4 Ų152.476%0.75982%0.818SS**  trans38.5127.5151.4-70.4-18.1000121.8
192E50Low46.6Very low195 Ų195153 Ų15391%0.91182%0.817SS**  -173.9127.899.4-102.3-175.4166.500111.2
193E47.8Very low46.1Very low193 Ų193152.6 Ų152.690%0.90282%0.815SS**  trans-76.5157164.2-62.1-158.4168.600111.5
194G43Very low46.1Very low70 Ų70154.9 Ų154.972%0.72282%0.82SS**  trans168.287.7166.600000108.2
195E45.6Very low46.1Very low175 Ų175157.8 Ų157.882%0.81882%0.816SS**  56.8113.590.6-71.7-165.5176.100113.8
196D45.3Very low46.1Very low143 Ų143157.9 Ų157.977%0.76581%0.812SS**  trans40.9125.3141.4-60.9-16.9000120.2
197D48.4Very low45.6Very low156 Ų156160.8 Ų160.883%0.83482%0.815SS**  -152.9117.8121.1-115.9-20000110.9
198E50.7Low45.6Very low176 Ų176163.3 Ų163.382%0.82281%0.81SS**  trans-72.9127.3159-62.3179.9159.100107.6
199E50.6Low45.5Very low181 Ų181162.7 Ų162.785%0.84681%0.806SS**  trans-134.1111.2152.6-79.8-157.9166.900110.6
200E47.7Very low45.4Very low185 Ų185160.8 Ų160.886%0.86481%0.811SS**  trans-51.7140.1155.4-61.1175.3146.700110.2
201N43.3Very low45.5Very low146 Ų146156.4 Ų156.478%0.78181%0.807SS**  trans-145.896.1151.8-141.9-19.3000111
202E46.8Very low45.7Very low162 Ų162159.3 Ų159.376%0.75782%0.816SS**  trans22.7114.9135.1-59-177.7165.800119.1
203E43.1Very low45.6Very low172 Ų172158.3 Ų158.380%0.80481%0.812SS**  20118121.7-58-178.6174.400118.3
204E48.2Very low45.6Very low200 Ų200158.5 Ų158.594%0.93581%0.813SS**  trans-121.4117.1140.6-76.4-168.3170.300109.1
205E43.7Very low45.8Very low165 Ų165163 Ų16377%0.77182%0.815SS**  trans-74.6140.7174.1-71.3-174.3143.500112.4
206E46.7Very low46Very low173 Ų173163.5 Ų163.581%0.80882%0.817SS**  61.7158.3128-61.7-66.9162.900123.5
207E45Very low46.1Very low181 Ų181164.3 Ų164.385%0.84682%0.816SS**  trans102.6133.9167.9-60.7-159.3-172.300116.5
208D39.4Very low45.8Very low131 Ų131163.4 Ų163.470%0.70181%0.812SS**  cis-169.4164.6-13.9-170.621.8000107
209L44.7Very low45.6Very low149 Ų149159.8 Ų159.878%0.7880%0.802SS**  trans-47169.7-175.4-63.1157.5000120.5
210S42.8Very low45.3Very low126 Ų126158.5 Ų158.588%0.88180%0.8SS**  trans119.1136.8151.672.70000113.7
211G42Very low45.2Very low63 Ų63155.4 Ų155.465%0.64979%0.79SS**  cis-164.5137.41.800000106.2
212E44.6Very low45.3Very low203 Ų203159.6 Ų159.695%0.94979%0.794SS**  81.3139102.4-74.9-168176.800115.3
213E48.7Very low45.5Very low174 Ų174160.5 Ų160.581%0.81380%0.799SS**  trans-73.6156.1-168.3-53.8172.9159.600112.3
214E47.4Very low46Very low197 Ų197158.5 Ų158.592%0.92180%0.798SS**  trans-139.1105.9142.8-73.6-162176.600109.1
215E47.8Very low45.9Very low165 Ų165154.9 Ų154.977%0.77179%0.785SS**  trans-69.4145.6145.1-63.7-173.1155.100108.5
216E50.3Low46.3Very low185 Ų185154.6 Ų154.686%0.86479%0.789SS**  trans-157137.4140.8-91.8-53.5159.200109
217E46.2Very low46.3Very low160 Ų160153.3 Ų153.375%0.74878%0.783SS**  trans-86.2176.4-175.9-63-161.2136.800112.8
218D41.6Very low46.2Very low138 Ų138150.9 Ų150.974%0.73878%0.776SS**  117.9117.5124.9-106.40.1000121.8
219V48Very low46.4Very low100 Ų100151.4 Ų151.461%0.60677%0.774SS**  trans38.6130.4147.1-132.20000123.9D221V219-D221 HydrophobicContact CG1-CB 4.38Å
220N43Very low46.2Very low154 Ų154151.7 Ų151.782%0.82477%0.771SS**  -169.1100.8119.4-95.1-52.6000107.5
221D45.5Very low46.1Very low119 Ų119153.2 Ų153.264%0.63677%0.765SS**  54.1110.483.1-161.617.9000114.4V219V219-D221 HydrophobicContact CG1-CB 4.38Å
222R46.9Very low46Very low234 Ų234157.8 Ų157.888%0.88377%0.769SS**  trans-170.197.6140.4-104.5172.1-163.8158.17.7110.1
223E49.3Very low46Very low181 Ų181157.3 Ų157.385%0.84677%0.767SS**  trans-58.5133.7146-62.4-177.3152.200109.6
224V54.2Low45.5Very low131 Ų131160.3 Ų160.379%0.79477%0.771SS**  trans-140.1107.9147.7-165.40000107
225D46.7Very low45Very low123 Ų123154.8 Ų154.866%0.65877%0.767SS**  trans-60.9140.8160.3-151.33.2000109.6
226D52Low45Very low159 Ų159156 Ų15685%0.8577%0.772SS**  trans-163.5128.5139.4-101.2-26.9000110
227E46.1Very low44.7Very low147 Ų147155.8 Ų155.869%0.68777%0.768SS**  trans-76.8-174.4-172.5-58.2178.5126.500112.5
228D43.4Very low44.5Very low129 Ų129157.9 Ų157.969%0.6977%0.77SS**  trans87.9132158.6-55-22.2000117.2
229E43Very low44.6Very low143 Ų143158.3 Ų158.367%0.66877%0.765SS**  cis-173.7148.21.9-114.9175.7171.800105
230E40Very low44.1Very low155 Ų155162.2 Ų162.272%0.72477%0.768SS**  trans60.2147.1140.5-62.5-169.6176.100120.2
231E41.6Very low44Very low158 Ų158160.6 Ų160.674%0.73876%0.76SS**  cis-160.2171.21.3-127.4-162.9176.700108.3
232E40.7Very low43.7Very low159 Ų159161.7 Ų161.774%0.74377%0.765SS**  trans-49.7153.6172.2-46.5-170.7146.500114.6
233E43.2Very low43.4Very low193 Ų193156.7 Ų156.790%0.90276%0.756SS**  -165.5135109.7-110.1-164.815500114.3
234R39.3Very low43.4Very low237 Ų237156.7 Ų156.789%0.89476%0.756SS**  trans-62.7147.6167.3-71.1164.6158.9168.5-2.7111.3
235G36.8Very low43Very low81 Ų81159.3 Ų159.384%0.83576%0.759SS**  trans-162.362.4168.300000115.9
236Q46.7Very low42.9Very low189 Ų189156.6 Ų156.688%0.88376%0.761SS**  trans-84.6133.8155.6-83.1-1771.200110.2
237K44.3Very low42.9Very low181 Ų181156.7 Ų156.779%0.78776%0.756SS**  trans139149.8152.4-79.6166.5-176.8172.80109
238R41.3Very low43.1Very low205 Ų205157 Ų15777%0.77476%0.758SS**  cis-178.2143.8-12.6-105.2174.9-175.5-176.40.1105.2
239K45.5Very low43.5Very low146 Ų146156.2 Ų156.264%0.63575%0.753SS**  trans60.3128.3139.3-83.6176.1153.6174.20122.6
240R37.6Very low44.2Very low182 Ų182156.9 Ų156.969%0.68776%0.756SS**  66.4147.2128-71-171.7-69.9-168.94.1116.8
241N39.3Very low45Very low121 Ų121155.7 Ų155.765%0.64776%0.755SS**  cis-178.4171.9-2-107.24.5000105.1
242L39Very low45.8Very low141 Ų141159.7 Ų159.774%0.73878%0.781SS**  trans77.1138.5156.9-61.7131.5000113.7
243D41.3Very low46Very low130 Ų130159.7 Ų159.770%0.69578%0.783SS**  cis-168-175.817.1-107.5-25.2000108.5
244E49.3Very low46.2Very low180 Ų180157.9 Ų157.984%0.84178%0.777SS**  trans10189.6172.6-70.7-175.3145.800114.1
245E47Very low46.6Very low186 Ų186153.6 Ų153.687%0.86977%0.771SS**  75.2134.464.4-66.2-159.7169.300114.5
246G44.6Very low47.1Very low67 Ų67157.8 Ų157.869%0.69177%0.767SS**  trans125.775.5-178.900000110.5
247E50.3Low47.2Very low160 Ų160155.9 Ų155.975%0.74876%0.76SS**  46.397.562.2-65.9-74.8176.100108.7
248E50.4Low47.4Very low155 Ų155154.2 Ų154.272%0.72476%0.758SS**  133.5145.9100.3-89.4173-171.500103.2
249D52.4Low47.8Very low111 Ų111150.6 Ų150.659%0.59476%0.757SS**  cis-174.9157.312.8-107.5-22.6000108.3
250E56.8Low48Very low157 Ų157150.9 Ų150.973%0.73477%0.766SS**  trans55.5150137.1-62.8-176.5171.500120.5
251D57.6Low48.8Very low131 Ų131148.3 Ų148.370%0.70177%0.772SS**  cis-174161.2-16.4-105.1-23.7000105.2
252D58.1Low49.7Very low241 Ų241150.8 Ų150.8100%1.28978%0.784SS**  trans65.30162.9-80.9-22.6000120.7

Retrieved 252 of 252 residues in 192.3 ms (Link to these results)

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