A0A087XSB1_POEFO Loading...

Acidic leucine-rich nuclear phosphoprotein 32 family member

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

AlphaFold DB (A0A3B3UWR0), UniProt , Accession A0A087XSB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 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
1M89Confident94Very high123 Ų12372.9 Ų72.961%0.60634%0.341SS*.  0142.50175.6-178-81.400108.8K5 R6 L9 C27 R28M1-K5 HydrophobicContact CG-CB 4.08Å; M1-R6 HydrophobicContact SD-CB 4.07Å; M1-L9 HydrophobicContact CE-CD1 3.37Å; M1-L9 HydrophobicContact SD-CD1 3.56Å; M1-L9 VanDerWaalsContact SD-CD1 3.56Å; M1-C27 CarbonylContact O-C 3.56Å; M1-C27 WeakPolarHBondContact O-CA 3.43Å; M1-R28 PolarHBondContact O-N 3.42Å
2D93.6Very high93.6Very high63 Ų6382.8 Ų82.834%0.33737%0.372SS..BIsolated β-bridgetrans-69.5144.7178.3-53.9-51.5000111.9K4 K5 R6D2-K4 PolarHBondContact O-N 3.37Å; D2-K5 HydrophobicContact CB-CD 4.27Å; D2-K5 HydrophobicContact CB-CG 4.4Å; D2-K5 WeakPolarHBondContact O-CB 3.13Å; D2-K5 PolarHBondContact O-N 3.41Å; D2-K5 VanDerWaalsContact O-N 3.08Å; D2-K5 WeakPolarHBondContact OD2-CE 3.32Å; D2-K5 IonicContact OD2-NZ 2.81Å; D2-K5 PolarHBondContact OD2-NZ 3.39Å; D2-R6 PolarHBondContact O-N 3.12Å
3M95.2Very high93.2Very high3 Ų389.4 Ų89.42%0.01541%0.413CS..Hα-helixtrans-53.8-47.3-178.3-173.5176.2-73.400113.2K5 R6 I7 L24 R28 I34 E35 L49 V52M3-K5 VanDerWaalsContact C-N 3.3Å; M3-K5 PolarHBondContact O-N 2.84Å; M3-R6 WeakPolarHBondContact O-CB 3.16Å; M3-R6 PolarHBondContact O-N 3.39Å; M3-R6 VanDerWaalsContact O-N 3.07Å; M3-I7 HydrophobicContact CG-CD1 4.12Å; M3-I7 WeakPolarHBondContact O-CG1 3.49Å; M3-I7 PolarHBondContact O-N 3.05Å; M3-L24 HydrophobicContact CG-CD1 4.31Å; M3-R28 PolarHBondContact N-O 2.81Å; M3-R28 VanDerWaalsContact N-O 3.14Å; M3-I34 HydrophobicContact SD-CG2 4.22Å; M3-E35 WeakPolarHBondContact CG-O 3.45Å; M3-E35 PolarHBondContact SD-N 3.21Å; M3-E35 VanDerWaalsContact SD-N 3.39Å; M3-E35 VanDerWaalsContact SD-O 3.37Å; M3-L49 HydrophobicContact CE-CD2 3.67Å; M3-L49 HydrophobicContact SD-CD2 4.38Å; M3-V52 HydrophobicContact CE-CB 4.26Å; M3-V52 HydrophobicContact CE-CG2 4.27Å
4K93.8Very high93.2Very high114 Ų11491.4 Ų91.450%0.49642%0.415SS..Hα-helixtrans-57.8-40.5177.5-73.6174.1172130.70113D2 H8 E35D2-K4 PolarHBondContact O-N 3.37Å; K4-H8 PolarHBondContact O-N 3.47Å; K4-H8 VanDerWaalsContact O-N 3.14Å; K4-E35 HydrophobicContact CG-CB 4.21Å; K4-E35 IonicContact NZ-OE1 2.8Å; K4-E35 IonicContact NZ-OE2 2.74Å; K4-E35 PolarHBondContact NZ-OE2 2.61Å
5K94.4Very high93.3Very high125 Ų12589.7 Ų89.754%0.54342%0.415SS..Hα-helixtrans-68.4-39.4177.4-69.3174.9-177.3152.50110.6M1 D2 M3 H8 L9M1-K5 HydrophobicContact CG-CB 4.08Å; D2-K5 HydrophobicContact CB-CD 4.27Å; D2-K5 HydrophobicContact CB-CG 4.4Å; D2-K5 WeakPolarHBondContact O-CB 3.13Å; D2-K5 PolarHBondContact O-N 3.41Å; D2-K5 VanDerWaalsContact O-N 3.08Å; D2-K5 WeakPolarHBondContact OD2-CE 3.32Å; D2-K5 IonicContact OD2-NZ 2.81Å; D2-K5 PolarHBondContact OD2-NZ 3.39Å; M3-K5 VanDerWaalsContact C-N 3.3Å; M3-K5 PolarHBondContact O-N 2.84Å; K5-H8 PolarHBondContact O-N 2.81Å; K5-L9 WeakPolarHBondContact O-CG 3.07Å; K5-L9 PolarHBondContact O-N 2.74Å; K5-L9 VanDerWaalsContact O-N 3.09Å
6R95.9Very high93.4Very high69 Ų6985.8 Ų85.826%0.2640%0.4SS..Hα-helixtrans-62.2-47.2176.2-173.762.4-175.7-1035.1111.4M1 D2 M3 H8 L9 E10 L24 D25 C27M1-R6 HydrophobicContact SD-CB 4.07Å; D2-R6 PolarHBondContact O-N 3.12Å; M3-R6 WeakPolarHBondContact O-CB 3.16Å; M3-R6 PolarHBondContact O-N 3.39Å; M3-R6 VanDerWaalsContact O-N 3.07Å; R6-H8 VanDerWaalsContact C-N 3.31Å; R6-H8 PolarHBondContact O-N 2.81Å; R6-L9 WeakPolarHBondContact O-CB 3.4Å; R6-L9 PolarHBondContact O-N 3.24Å; R6-L9 VanDerWaalsContact O-N 3.08Å; R6-E10 HydrophobicContact CG-CG 4.37Å; R6-E10 IonicContact CZ-OE1 2.77Å; R6-E10 IonicContact NE-OE1 3.65Å; R6-E10 PolarHBondContact NE-OE1 2.97Å; R6-E10 IonicContact NH2-OE1 2.79Å; R6-E10 PolarHBondContact NH2-OE1 3.44Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3.34Å; R6-L24 HydrophobicContact CB-CD2 4.27Å; R6-L24 HydrophobicContact CG-CD2 3.79Å; R6-D25 PolarHBondContact NH1-O 3.34Å; R6-C27 HydrophobicContact CB-CB 4.2Å; R6-C27 HydrophobicContact CG-CB 4.45Å
7I95.3Very high93.5Very high9 Ų983.3 Ų83.35%0.04639%0.394CS..Hα-helixtrans-55.3-47.4175.7-67.4166.9000110.9M3 L9 E10 L11 L24 E35 G36 L37 F41M3-I7 HydrophobicContact CG-CD1 4.12Å; M3-I7 WeakPolarHBondContact O-CG1 3.49Å; M3-I7 PolarHBondContact O-N 3.05Å; I7-L9 VanDerWaalsContact C-N 3.29Å; I7-L9 PolarHBondContact O-N 2.93Å; I7-E10 PolarHBondContact O-N 3.08Å; I7-L11 HydrophobicContact CG2-CD1 4.07Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 3.41Å; I7-L24 HydrophobicContact CB-CD2 4.47Å; I7-L24 HydrophobicContact CD1-CD1 4.05Å; I7-L24 HydrophobicContact CG1-CD1 3.72Å; I7-L24 HydrophobicContact CG1-CD2 3.58Å; I7-L24 HydrophobicContact CG1-CG 4.33Å; I7-E35 WeakPolarHBondContact CD1-O 3.49Å; I7-G36 VanDerWaalsContact CD1-C 3.49Å; I7-L37 HydrophobicContact CD1-CD2 3.91Å; I7-L37 HydrophobicContact CD1-CG 4.11Å; I7-L37 HydrophobicContact CG1-CD2 4.48Å; I7-F41 HydrophobicContact CG2-CZ 3.91Å
8H94.4Very high93.6Very high139 Ų13984.2 Ų84.264%0.64440%0.402SS*.Hα-helixtrans-59.9-38.7178.5-17666.3000112.8K4 K5 R6K4-H8 PolarHBondContact O-N 3.47Å; K4-H8 VanDerWaalsContact O-N 3.14Å; K5-H8 PolarHBondContact O-N 2.81Å; R6-H8 VanDerWaalsContact C-N 3.31Å; R6-H8 PolarHBondContact O-N 2.81Å
9L94.5Very high93.7Very high95 Ų9579.8 Ų79.850%0.49738%0.381SS..Hα-helixtrans-69.8-39.6176.7-70.3169.8000112.7M1 K5 R6 I7 L11 R12M1-L9 HydrophobicContact CE-CD1 3.37Å; M1-L9 HydrophobicContact SD-CD1 3.56Å; M1-L9 VanDerWaalsContact SD-CD1 3.56Å; K5-L9 WeakPolarHBondContact O-CG 3.07Å; K5-L9 PolarHBondContact O-N 2.74Å; K5-L9 VanDerWaalsContact O-N 3.09Å; R6-L9 WeakPolarHBondContact O-CB 3.4Å; R6-L9 PolarHBondContact O-N 3.24Å; R6-L9 VanDerWaalsContact O-N 3.08Å; I7-L9 VanDerWaalsContact C-N 3.29Å; I7-L9 PolarHBondContact O-N 2.93Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.01Å; L9-R12 WeakPolarHBondContact O-CG 3.31Å; L9-R12 PolarHBondContact O-N 2.86Å
10E94.1Very high93.8Very high39 Ų3984 Ų8418%0.18239%0.393CS..Hα-helixtrans-69-29.1178.9-67.3-56.7157.900112.7R6 I7 R12 R14 L22 L24R6-E10 HydrophobicContact CG-CG 4.37Å; R6-E10 IonicContact CZ-OE1 2.77Å; R6-E10 IonicContact NE-OE1 3.65Å; R6-E10 PolarHBondContact NE-OE1 2.97Å; R6-E10 IonicContact NH2-OE1 2.79Å; R6-E10 PolarHBondContact NH2-OE1 3.44Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3.34Å; I7-E10 PolarHBondContact O-N 3.08Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 3.09Å; E10-R14 PolarHBondContact O-NH2 2.83Å; E10-L22 HydrophobicContact CB-CD1 3.63Å; E10-L22 HydrophobicContact CG-CD1 4.09Å; E10-L24 HydrophobicContact CG-CD2 4.39Å
11L93.5Very high94Very high23 Ų2386.4 Ų86.412%0.1240%0.404CS..Hα-helixtrans-64.5-33.6177.1-73.8169.7000112.1I7 L9 N13 R14 P16 V19 F41I7-L11 HydrophobicContact CG2-CD1 4.07Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.3Å; L9-L11 PolarHBondContact O-N 3.01Å; L11-N13 PolarHBondContact O-N 3.12Å; L11-N13 VanDerWaalsContact O-N 3.12Å; L11-R14 WeakPolarHBondContact O-CA 3.37Å; L11-R14 WeakPolarHBondContact O-CB 3.44Å; L11-R14 VanDerWaalsContact O-CG 3.32Å; L11-R14 WeakPolarHBondContact O-CG 3.39Å; L11-R14 PolarHBondContact O-N 3.43Å; L11-R14 PolarHBondContact O-NE 3.27Å; L11-P16 HydrophobicContact CD1-CG 4.31Å; L11-P16 HydrophobicContact CD2-CG 4.33Å; L11-V19 HydrophobicContact CD2-CG2 3.64Å; L11-F41 HydrophobicContact CD2-CE1 4.1Å
12R89.4Confident94.3Very high191 Ų19180.7 Ų80.772%0.72138%0.376SS*.THydrogen-bonded Turntrans45.243.4178.5-58.4-172.4-177.3-176.92.6113.6L9 E10 R14L9-R12 WeakPolarHBondContact O-CG 3.31Å; L9-R12 PolarHBondContact O-N 2.86Å; E10-R12 VanDerWaalsContact C-N 3.3Å; E10-R12 PolarHBondContact O-N 3.09Å; R12-R14 VanDerWaalsContact C-N 3.29Å; R12-R14 PolarHBondContact O-N 3.34Å
13N88.6Confident94.5Very high169 Ų16980 Ų8090%0.90437%0.374SS*.THydrogen-bonded Turntrans72.44.2-175.5-46-51000116.6L11L11-N13 PolarHBondContact O-N 3.12Å; L11-N13 VanDerWaalsContact O-N 3.12Å
14R93.2Very high94.6Very high117 Ų11779.9 Ų79.944%0.44237%0.373SS..  trans-72.7154.5167.8-59.9177.4-70.4175.2-0.6110.3E10 L11 R12E10-R14 PolarHBondContact O-NH2 2.83Å; L11-R14 WeakPolarHBondContact O-CA 3.37Å; L11-R14 WeakPolarHBondContact O-CB 3.44Å; L11-R14 VanDerWaalsContact O-CG 3.32Å; L11-R14 WeakPolarHBondContact O-CG 3.39Å; L11-R14 PolarHBondContact O-N 3.43Å; L11-R14 PolarHBondContact O-NE 3.27Å; R12-R14 VanDerWaalsContact C-N 3.29Å; R12-R14 PolarHBondContact O-N 3.34Å
15T94.4Very high94.8Very high67 Ų6776 Ų7641%0.41136%0.358SS..  trans-77.6148.5169.972.60000109.6S17 D18T15-S17 PolarHBondContact O-N 2.96Å; T15-S17 VanDerWaalsContact O-N 3.12Å; T15-S17 PolarHBondContact OG1-OG 2.99Å; T15-D18 PolarHBondContact N-OD2 3.14Å; T15-D18 PolarHBondContact O-N 3.32Å; T15-D18 PolarHBondContact OG1-OD1 3.35Å; T15-D18 PolarHBondContact OG1-OD2 3.36Å
16P95.1Very high94.9Very high27 Ų2775.2 Ų75.218%0.17536%0.36CS..G310 helixtrans-53.8-30.1175.9-28.936.7000113.9L11 D18 V19 E40 F41L11-P16 HydrophobicContact CD1-CG 4.31Å; L11-P16 HydrophobicContact CD2-CG 4.33Å; P16-D18 VanDerWaalsContact C-N 3.3Å; P16-D18 PolarHBondContact O-N 2.91Å; P16-V19 PolarHBondContact O-N 2.8Å; P16-E40 CarbonylContact C-O 3.57Å; P16-E40 HydrophobicContact CB-CB 3.89Å; P16-E40 HydrophobicContact CG-CB 4.42Å; P16-F41 HydrophobicContact CB-CD1 3.95Å; P16-F41 HydrophobicContact CB-CD2 4.17Å; P16-F41 HydrophobicContact CB-CE1 3.84Å; P16-F41 HydrophobicContact CB-CE2 4.07Å; P16-F41 HydrophobicContact CB-CG 4.12Å; P16-F41 HydrophobicContact CB-CZ 3.9Å; P16-F41 HydrophobicContact CG-CZ 4.38Å; P16-F41 WeakPolarHBondContact O-CD1 3.44Å
17S95.4Very high94.8Very high43 Ų4372.3 Ų72.330%0.30135%0.35SS..G310 helixtrans-70.2-21178440000114.3T15 V19 E40 N43T15-S17 PolarHBondContact O-N 2.96Å; T15-S17 VanDerWaalsContact O-N 3.12Å; T15-S17 PolarHBondContact OG1-OG 2.99Å; S17-V19 VanDerWaalsContact C-N 3.34Å; S17-E40 WeakPolarHBondContact CA-O 3.49Å; S17-E40 PolarHBondContact N-O 2.93Å; S17-N43 WeakPolarHBondContact O-CB 3.48Å; S17-N43 PolarHBondContact O-ND2 2.75Å
18D94.4Very high94.8Very high100 Ų10080.2 Ų80.254%0.53538%0.379SS..G310 helixtrans-87.8-8-179.6-54.5-37.3000112.5T15 P16T15-D18 PolarHBondContact N-OD2 3.14Å; T15-D18 PolarHBondContact O-N 3.32Å; T15-D18 PolarHBondContact OG1-OD1 3.35Å; T15-D18 PolarHBondContact OG1-OD2 3.36Å; P16-D18 VanDerWaalsContact C-N 3.3Å; P16-D18 PolarHBondContact O-N 2.91Å
19V95.8Very high94.8Very high1 Ų174.2 Ų74.21%0.00635%0.353CS..  trans-86.9120.3-174.3-178.10000110.5L11 P16 S17 E21 L22 F41 N43 L44L11-V19 HydrophobicContact CD2-CG2 3.64Å; P16-V19 PolarHBondContact O-N 2.8Å; S17-V19 VanDerWaalsContact C-N 3.34Å; V19-E21 WeakPolarHBondContact CG1-O 3.45Å; V19-L22 HydrophobicContact CG1-CB 4.29Å; V19-F41 HydrophobicContact CB-CD1 4.41Å; V19-N43 CarbonylContact O-C 3.52Å; V19-L44 HydrophobicContact CG1-CD1 3.9Å; V19-L44 WeakPolarHBondContact O-CA 3.47Å; V19-L44 PolarHBondContact O-N 2.94Å
20R96.1Very high94.8Very high163 Ų16372.7 Ų72.762%0.61535%0.347SS*.SBendtrans-94-28.4171.8-61.6-170.1-176.3-170-1113.6N43 E45 F46R20-N43 WeakPolarHBondContact CA-O 3.32Å; R20-E45 PolarHBondContact O-N 3.02Å; R20-F46 PolarHBondContact O-N 3.32Å
21E96.9Very high94.7Very high134 Ų13477.6 Ų77.663%0.62637%0.37SS*.EExtended strand (participates in β ladder)trans-131.7134.5-178.1-55.3-171.8172.900110.7V19 F46V19-E21 WeakPolarHBondContact CG1-O 3.45Å; E21-F46 WeakPolarHBondContact CA-O 3.48Å; E21-F46 HydrophobicContact CB-CB 4.29Å; E21-F46 HydrophobicContact CB-CD1 4.2Å; E21-F46 HydrophobicContact CG-CB 4.02Å
22L97.3Very high94.7Very high3 Ų376.8 Ų76.82%0.01637%0.368CS..EExtended strand (participates in β ladder)trans-138.2119.6179.6-173.762.3000111E10 V19 L24 L37 F41 L44 F46 L47 S48E10-L22 HydrophobicContact CB-CD1 3.63Å; E10-L22 HydrophobicContact CG-CD1 4.09Å; V19-L22 HydrophobicContact CG1-CB 4.29Å; L22-L24 HydrophobicContact CD1-CD2 4.02Å; L22-L24 HydrophobicContact CD2-CD1 4.04Å; L22-L24 HydrophobicContact CD2-CD2 4.38Å; L22-L24 HydrophobicContact CD2-CG 4.28Å; L22-L24 HydrophobicContact CG-CD1 4.27Å; L22-L24 HydrophobicContact CG-CD2 4.02Å; L22-L24 HydrophobicContact CG-CG 3.96Å; L22-L37 HydrophobicContact CD2-CD2 3.58Å; L22-F41 HydrophobicContact CD2-CD1 4.39Å; L22-F41 HydrophobicContact CD2-CE1 3.92Å; L22-F41 HydrophobicContact CD2-CZ 4.31Å; L22-L44 HydrophobicContact CB-CD1 3.61Å; L22-L44 HydrophobicContact CB-CD2 4.44Å; L22-F46 PolarHBondContact N-O 3.07Å; L22-L47 HydrophobicContact CB-CD1 4.2Å; L22-L47 HydrophobicContact CD2-CD1 4.26Å; L22-L47 HydrophobicContact CG-CD1 4.33Å; L22-L47 WeakPolarHBondContact O-CA 3.49Å; L22-S48 PolarHBondContact O-N 2.63Å
23V97.3Very high95Very high50 Ų5071.2 Ų71.230%0.30335%0.349SS..EExtended strand (participates in β ladder)trans-109.9116.5179179.20000109.7D25 F46V23-D25 HydrophobicContact CG1-CB 4.25Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.36Å; V23-F46 HydrophobicContact CG2-CE1 3.97Å
24L96.8Very high95.3Very high0 Ų063.4 Ų63.40%031%0.307CS..  trans-118.220.9-177.2-58.9179.3000112.4M3 R6 I7 E10 L22 C27 L37 L47 S48 L49 V52M3-L24 HydrophobicContact CG-CD1 4.31Å; R6-L24 HydrophobicContact CB-CD2 4.27Å; R6-L24 HydrophobicContact CG-CD2 3.79Å; I7-L24 HydrophobicContact CB-CD2 4.47Å; I7-L24 HydrophobicContact CD1-CD1 4.05Å; I7-L24 HydrophobicContact CG1-CD1 3.72Å; I7-L24 HydrophobicContact CG1-CD2 3.58Å; I7-L24 HydrophobicContact CG1-CG 4.33Å; E10-L24 HydrophobicContact CG-CD2 4.39Å; L22-L24 HydrophobicContact CD1-CD2 4.02Å; L22-L24 HydrophobicContact CD2-CD1 4.04Å; L22-L24 HydrophobicContact CD2-CD2 4.38Å; L22-L24 HydrophobicContact CD2-CG 4.28Å; L22-L24 HydrophobicContact CG-CD1 4.27Å; L22-L24 HydrophobicContact CG-CD2 4.02Å; L22-L24 HydrophobicContact CG-CG 3.96Å; L24-C27 WeakPolarHBondContact O-CB 2.93Å; L24-C27 PolarHBondContact O-N 3.31Å; L24-C27 PolarHBondContact O-SG 3.08Å; L24-L37 HydrophobicContact CD1-CD1 4.44Å; L24-L37 HydrophobicContact CD1-CD2 4.16Å; L24-L37 HydrophobicContact CD1-CG 4.44Å; L24-L47 HydrophobicContact CD1-CD1 4.27Å; L24-S48 PolarHBondContact N-O 3.01Å; L24-L49 HydrophobicContact CB-CD2 3.85Å; L24-L49 HydrophobicContact CD1-CD2 3.93Å; L24-L49 HydrophobicContact CG-CD2 4.48Å; L24-V52 WeakPolarHBondContact O-CG1 3.41Å
25D97.2Very high95.3Very high31 Ų3160.5 Ų60.517%0.16630%0.298CS..THydrogen-bonded Turntrans-60.6149.8-174.3-55.5-17000112.7R6 V23 C27 S48 L49 I50R6-D25 PolarHBondContact NH1-O 3.34Å; V23-D25 HydrophobicContact CG1-CB 4.25Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.36Å; D25-C27 PolarHBondContact O-N 2.8Å; D25-S48 VanDerWaalsContact CG-OG 3.31Å; D25-S48 VanDerWaalsContact OD1-C 3.3Å; D25-S48 WeakPolarHBondContact OD1-CB 3.36Å; D25-S48 PolarHBondContact OD1-OG 2.91Å; D25-S48 PolarHBondContact OD2-OG 3.06Å; D25-L49 PolarHBondContact OD1-N 3.09Å; D25-I50 VanDerWaalsContact CA-O 3.31Å; D25-I50 WeakPolarHBondContact CA-O 3.4Å; D25-I50 HydrophobicContact CB-CB 4.2Å; D25-I50 PolarHBondContact OD1-N 3Å
26N96.4Very high95.2Very high110 Ų11058.9 Ų58.959%0.58830%0.295SS*.THydrogen-bonded Turntrans56.818.2177.4-55.6-74.1000113.7I50 N51N26-I50 PolarHBondContact N-O 2.9Å; N26-N51 PolarHBondContact OD1-ND2 3.42Å
27C95.4Very high95.2Very high7 Ų758.4 Ų58.45%0.04729%0.291CS..  trans-83.3171.7167.883.90000110.9M1 R6 L24 D25 V52M1-C27 CarbonylContact O-C 3.56Å; M1-C27 WeakPolarHBondContact O-CA 3.43Å; R6-C27 HydrophobicContact CB-CB 4.2Å; R6-C27 HydrophobicContact CG-CB 4.45Å; L24-C27 WeakPolarHBondContact O-CB 2.93Å; L24-C27 PolarHBondContact O-N 3.31Å; L24-C27 PolarHBondContact O-SG 3.08Å; D25-C27 PolarHBondContact O-N 2.8Å; C27-V52 VanDerWaalsContact O-CA 3.25Å; C27-V52 WeakPolarHBondContact O-CA 3.25Å; C27-V52 WeakPolarHBondContact SG-CG1 3.4Å
28R94.9Very high95.1Very high176 Ų17659 Ų5966%0.66429%0.292SS*.BIsolated β-bridgetrans-106.8119.2177.9-173.2173.8-65.8-139.21.2109.6M1 M3M1-R28 PolarHBondContact O-N 3.42Å; M3-R28 PolarHBondContact N-O 2.81Å; M3-R28 VanDerWaalsContact N-O 3.14Å
29S94.7Very high95.1Very high12 Ų1258 Ų588%0.08429%0.294CS..  trans-75.5149.1163.559.70000110.8G32 K33 V52 G53S29-G32 WeakPolarHBondContact OG-CA 3.43Å; S29-K33 VanDerWaalsContact CB-O 3.29Å; S29-K33 WeakPolarHBondContact CB-O 3.5Å; S29-V52 WeakPolarHBondContact CB-O 3.43Å; S29-V52 PolarHBondContact N-O 2.95Å; S29-V52 VanDerWaalsContact N-O 3.1Å; S29-V52 PolarHBondContact OG-O 3.26Å; S29-G53 PolarHBondContact OG-O 3Å
30V93.6Very high95.1Very high63 Ų6363.6 Ų63.638%0.38232%0.32SS..BIsolated β-bridgetrans-93.5128173.8179.10000107.4G32 K33 E35V30-G32 PolarHBondContact O-N 2.89Å; V30-K33 PolarHBondContact O-N 2.86Å; V30-E35 WeakPolarHBondContact CB-OE1 3.44Å
31E92.8Very high95.1Very high142 Ų14256 Ų5666%0.66429%0.291SS*.THydrogen-bonded Turntrans54.621.1-175.3-59.2179.3175.900114.8K33 I55E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 HydrophobicContact CB-CD 4.44Å; E31-K33 PolarHBondContact O-N 2.81Å; E31-K33 IonicContact OE2-NZ 2.95Å; E31-K33 PolarHBondContact OE2-NZ 2.84Å; E31-I55 WeakPolarHBondContact O-CD1 3.33Å
32G93.4Very high95.1Very high7 Ų753.2 Ų53.27%0.07228%0.283CS..THydrogen-bonded Turntrans68.926-175.400000114S29 V30 G53 L54 I55 S56S29-G32 WeakPolarHBondContact OG-CA 3.43Å; V30-G32 PolarHBondContact O-N 2.89Å; G32-G53 VanDerWaalsContact CA-O 3.3Å; G32-G53 WeakPolarHBondContact CA-O 3.45Å; G32-L54 WeakPolarHBondContact O-CA 3.49Å; G32-L54 WeakPolarHBondContact O-CD2 3.24Å; G32-I55 WeakPolarHBondContact O-CG1 2.95Å; G32-I55 PolarHBondContact O-N 3.04Å; G32-S56 PolarHBondContact O-N 3.44Å
33K94.8Very high95Very high74 Ų7455.4 Ų55.432%0.32230%0.295SS..BIsolated β-bridgetrans-115.3151.2178.5-63.4170.7-172.9156.30111.7S29 V30 E31 L54S29-K33 VanDerWaalsContact CB-O 3.29Å; S29-K33 WeakPolarHBondContact CB-O 3.5Å; V30-K33 PolarHBondContact O-N 2.86Å; E31-K33 VanDerWaalsContact C-N 3.29Å; E31-K33 HydrophobicContact CB-CD 4.44Å; E31-K33 PolarHBondContact O-N 2.81Å; E31-K33 IonicContact OE2-NZ 2.95Å; E31-K33 PolarHBondContact OE2-NZ 2.84Å; K33-L54 VanDerWaalsContact C-CD2 3.4Å
34I94.8Very high95.1Very high5 Ų553.1 Ų53.13%0.02628%0.281CS..  trans-70.4134.4173.3-63.5171.2000109.3M3 L37 L49 L54 N59 L60M3-I34 HydrophobicContact SD-CG2 4.22Å; I34-L37 HydrophobicContact CG2-CB 3.96Å; I34-L37 HydrophobicContact CG2-CD1 3.69Å; I34-L37 HydrophobicContact CG2-CG 3.99Å; I34-L49 HydrophobicContact CD1-CD1 4.08Å; I34-L49 HydrophobicContact CG1-CD1 4.45Å; I34-L54 HydrophobicContact CD1-CD1 4.28Å; I34-L54 HydrophobicContact CG1-CD1 3.87Å; I34-L54 HydrophobicContact CG1-CD2 3.61Å; I34-L54 HydrophobicContact CG1-CG 4.4Å; I34-N59 HydrophobicContact CB-CB 4.13Å; I34-L60 HydrophobicContact CD1-CD1 4.49Å; I34-L60 HydrophobicContact CD1-CD2 3.46Å; I34-L60 VanDerWaalsContact CD1-CD2 3.46Å; I34-L60 HydrophobicContact CD1-CG 3.53Å
35E94.3Very high95.1Very high55 Ų5555.2 Ų55.226%0.25729%0.291SS..  trans-137.8144.9176.2-52.9-162.2148.700112.1M3 K4 I7 V30 L37M3-E35 WeakPolarHBondContact CG-O 3.45Å; M3-E35 PolarHBondContact SD-N 3.21Å; M3-E35 VanDerWaalsContact SD-N 3.39Å; M3-E35 VanDerWaalsContact SD-O 3.37Å; K4-E35 HydrophobicContact CG-CB 4.21Å; K4-E35 IonicContact NZ-OE1 2.8Å; K4-E35 IonicContact NZ-OE2 2.74Å; K4-E35 PolarHBondContact NZ-OE2 2.61Å; I7-E35 WeakPolarHBondContact CD1-O 3.49Å; V30-E35 WeakPolarHBondContact CB-OE1 3.44Å; E35-L37 PolarHBondContact O-N 3.37Å
36G92.3Very high95.1Very high33 Ų3355.8 Ų55.834%0.3429%0.292SS..SBendtrans84.2-13.9175.700000114.6I7I7-G36 VanDerWaalsContact CD1-C 3.49Å
37L94.4Very high95.2Very high17 Ų1750.5 Ų50.59%0.08926%0.264CS..  trans-76130.8164.6-66.1-177.3000109.8I7 L22 L24 I34 E35 F41 L47 P61I7-L37 HydrophobicContact CD1-CD2 3.91Å; I7-L37 HydrophobicContact CD1-CG 4.11Å; I7-L37 HydrophobicContact CG1-CD2 4.48Å; L22-L37 HydrophobicContact CD2-CD2 3.58Å; L24-L37 HydrophobicContact CD1-CD1 4.44Å; L24-L37 HydrophobicContact CD1-CD2 4.16Å; L24-L37 HydrophobicContact CD1-CG 4.44Å; I34-L37 HydrophobicContact CG2-CB 3.96Å; I34-L37 HydrophobicContact CG2-CD1 3.69Å; I34-L37 HydrophobicContact CG2-CG 3.99Å; E35-L37 PolarHBondContact O-N 3.37Å; L37-F41 HydrophobicContact CD2-CD2 4.34Å; L37-F41 HydrophobicContact CD2-CE2 4.06Å; L37-F41 HydrophobicContact CD2-CZ 4.33Å; L37-L47 HydrophobicContact CD1-CD1 4.24Å; L37-L47 HydrophobicContact CD1-CD2 3.78Å; L37-P61 HydrophobicContact CB-CG 4.01Å
38T94.4Very high95.4Very high55 Ų5550.3 Ų50.334%0.33726%0.262SS..  trans-127.2174.2179.666.50000109.8E40 F41 P61T38-E40 PolarHBondContact O-N 3.22Å; T38-E40 WeakPolarHBondContact OG1-CB 3.39Å; T38-E40 PolarHBondContact OG1-N 2.76Å; T38-F41 WeakPolarHBondContact O-CD2 3.49Å; T38-P61 VanDerWaalsContact C-CB 3.45Å; T38-P61 WeakPolarHBondContact O-CG 3.38Å
39S93.8Very high95.5Very high81 Ų8142 Ų4257%0.56623%0.231SC*.THydrogen-bonded Turntrans-74.13.8173.155.40000113.8F41 V42S39-F41 VanDerWaalsContact C-N 3.28Å; S39-V42 WeakPolarHBondContact O-CG1 3.37Å
40E95.8Very high95.7Very high118 Ų11843.4 Ų43.455%0.55124%0.237SC*.THydrogen-bonded Turntrans-76.2-17.9177.7-61.9-179.5170.200112.6P16 S17 T38 V42P16-E40 CarbonylContact C-O 3.57Å; P16-E40 HydrophobicContact CB-CB 3.89Å; P16-E40 HydrophobicContact CG-CB 4.42Å; S17-E40 WeakPolarHBondContact CA-O 3.49Å; S17-E40 PolarHBondContact N-O 2.93Å; T38-E40 PolarHBondContact O-N 3.22Å; T38-E40 WeakPolarHBondContact OG1-CB 3.39Å; T38-E40 PolarHBondContact OG1-N 2.76Å; E40-V42 PolarHBondContact O-N 3.36Å
41F96.3Very high95.9Very high4 Ų444.3 Ų44.32%0.01824%0.24CC..  trans-75.154.5174-66.9-86.9000111.4I7 L11 P16 V19 L22 L37 T38 S39 N43 L44 L63I7-F41 HydrophobicContact CG2-CZ 3.91Å; L11-F41 HydrophobicContact CD2-CE1 4.1Å; P16-F41 HydrophobicContact CB-CD1 3.95Å; P16-F41 HydrophobicContact CB-CD2 4.17Å; P16-F41 HydrophobicContact CB-CE1 3.84Å; P16-F41 HydrophobicContact CB-CE2 4.07Å; P16-F41 HydrophobicContact CB-CG 4.12Å; P16-F41 HydrophobicContact CB-CZ 3.9Å; P16-F41 HydrophobicContact CG-CZ 4.38Å; P16-F41 WeakPolarHBondContact O-CD1 3.44Å; V19-F41 HydrophobicContact CB-CD1 4.41Å; L22-F41 HydrophobicContact CD2-CD1 4.39Å; L22-F41 HydrophobicContact CD2-CE1 3.92Å; L22-F41 HydrophobicContact CD2-CZ 4.31Å; L37-F41 HydrophobicContact CD2-CD2 4.34Å; L37-F41 HydrophobicContact CD2-CE2 4.06Å; L37-F41 HydrophobicContact CD2-CZ 4.33Å; T38-F41 WeakPolarHBondContact O-CD2 3.49Å; S39-F41 VanDerWaalsContact C-N 3.28Å; F41-N43 VanDerWaalsContact C-N 3.27Å; F41-N43 PolarHBondContact O-N 2.85Å; F41-L44 HydrophobicContact CB-CB 4.05Å; F41-L44 HydrophobicContact CB-CD2 4.31Å; F41-L44 WeakPolarHBondContact O-CB 3.42Å; F41-L44 PolarHBondContact O-N 3.07Å; F41-L63 HydrophobicContact CB-CD2 3.85Å; F41-L63 WeakPolarHBondContact O-CD2 3.48Å
42V96.2Very high96.1Very high75 Ų7537.8 Ų37.846%0.45521%0.21SC..THydrogen-bonded Turntrans-67.5-25.7-170-64.50000113.7S39 E40 K65S39-V42 WeakPolarHBondContact O-CG1 3.37Å; E40-V42 PolarHBondContact O-N 3.36Å; V42-K65 WeakPolarHBondContact O-CD 3.41Å
43N96.4Very high96.2Very high49 Ų4938.9 Ų38.926%0.26222%0.221SC..THydrogen-bonded Turntrans-104.311.2180-66.1-44.4000113.7S17 V19 R20 F41 E45 K65S17-N43 WeakPolarHBondContact O-CB 3.48Å; S17-N43 PolarHBondContact O-ND2 2.75Å; V19-N43 CarbonylContact O-C 3.52Å; R20-N43 WeakPolarHBondContact CA-O 3.32Å; F41-N43 VanDerWaalsContact C-N 3.27Å; F41-N43 PolarHBondContact O-N 2.85Å; N43-E45 PolarHBondContact O-N 3.3Å; N43-K65 PolarHBondContact OD1-NZ 2.96Å
44L97.7Very high96.4Very high1 Ų135.4 Ų35.41%0.00521%0.206CC..  trans-71.4123.3-179.6-167.373.2000110.5V19 L22 F41 F46 L47 L63 K65 L66V19-L44 HydrophobicContact CG1-CD1 3.9Å; V19-L44 WeakPolarHBondContact O-CA 3.47Å; V19-L44 PolarHBondContact O-N 2.94Å; L22-L44 HydrophobicContact CB-CD1 3.61Å; L22-L44 HydrophobicContact CB-CD2 4.44Å; F41-L44 HydrophobicContact CB-CB 4.05Å; F41-L44 HydrophobicContact CB-CD2 4.31Å; F41-L44 WeakPolarHBondContact O-CB 3.42Å; F41-L44 PolarHBondContact O-N 3.07Å; L44-F46 WeakPolarHBondContact CD1-O 3.5Å; L44-L47 HydrophobicContact CD2-CB 4.14Å; L44-L47 HydrophobicContact CD2-CD1 4.42Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-K65 CarbonylContact O-C 3.39Å; L44-L66 HydrophobicContact CB-CD1 4.44Å; L44-L66 HydrophobicContact CD2-CD1 4Å; L44-L66 HydrophobicContact CG-CD1 3.86Å; L44-L66 WeakPolarHBondContact O-CA 3.35Å; L44-L66 PolarHBondContact O-N 2.84Å
45E97.8Very high96.5Very high44 Ų4439.3 Ų39.321%0.20623%0.226CC..  trans-110-32.9-178.1-67.6180-144.700111.8R20 N43 K67 K68R20-E45 PolarHBondContact O-N 3.02Å; N43-E45 PolarHBondContact O-N 3.3Å; E45-K67 PolarHBondContact O-N 3.02Å; E45-K68 PolarHBondContact O-N 2.85Å
46F98.1Very high96.5Very high43 Ų4338.1 Ų38.119%0.18922%0.224CC..EExtended strand (participates in β ladder)trans-125.4130.5177.6177.6-105.6000111.9R20 E21 L22 V23 L44 K68 E70R20-F46 PolarHBondContact O-N 3.32Å; E21-F46 WeakPolarHBondContact CA-O 3.48Å; E21-F46 HydrophobicContact CB-CB 4.29Å; E21-F46 HydrophobicContact CB-CD1 4.2Å; E21-F46 HydrophobicContact CG-CB 4.02Å; L22-F46 PolarHBondContact N-O 3.07Å; V23-F46 HydrophobicContact CG2-CE1 3.97Å; L44-F46 WeakPolarHBondContact CD1-O 3.5Å; F46-K68 WeakPolarHBondContact CA-O 3.38Å; F46-K68 HydrophobicContact CD2-CB 3.85Å; F46-K68 HydrophobicContact CD2-CD 3.73Å; F46-K68 HydrophobicContact CD2-CG 3.62Å; F46-K68 HydrophobicContact CE2-CD 3.75Å; F46-K68 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CE2-CG 3.83Å; F46-E70 HydrophobicContact CZ-CG 4.01Å
47L98.3Very high96.7Very high0 Ų036.6 Ų36.60%021%0.208CC..EExtended strand (participates in β ladder)trans-132.5123174.8176.959.5000110.2L22 L24 L37 L44 L49 L60 L63 L66 K68 L69 E70L22-L47 HydrophobicContact CB-CD1 4.2Å; L22-L47 HydrophobicContact CD2-CD1 4.26Å; L22-L47 HydrophobicContact CG-CD1 4.33Å; L22-L47 WeakPolarHBondContact O-CA 3.49Å; L24-L47 HydrophobicContact CD1-CD1 4.27Å; L37-L47 HydrophobicContact CD1-CD1 4.24Å; L37-L47 HydrophobicContact CD1-CD2 3.78Å; L44-L47 HydrophobicContact CD2-CB 4.14Å; L44-L47 HydrophobicContact CD2-CD1 4.42Å; L47-L49 HydrophobicContact CD1-CD1 4.38Å; L47-L49 HydrophobicContact CD1-CG 4.2Å; L47-L49 HydrophobicContact CD2-CD1 3.83Å; L47-L49 HydrophobicContact CG-CD1 4.01Å; L47-L49 HydrophobicContact CG-CG 4.19Å; L47-L60 HydrophobicContact CD2-CD2 4.28Å; L47-L63 HydrophobicContact CD2-CD1 4.34Å; L47-L66 HydrophobicContact CB-CD1 3.75Å; L47-L66 HydrophobicContact CB-CD2 4.25Å; L47-K68 PolarHBondContact N-O 3.32Å; L47-K68 VanDerWaalsContact N-O 3.07Å; L47-L69 HydrophobicContact CB-CD1 4.04Å; L47-L69 HydrophobicContact CD2-CD1 3.96Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.22Å; L47-E70 PolarHBondContact O-N 2.84Å
48S98.4Very high96.6Very high3 Ų338.4 Ų38.42%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-111.6126.4173.3-167.90000111.7L22 L24 D25 I50L22-S48 PolarHBondContact O-N 2.63Å; L24-S48 PolarHBondContact N-O 3.01Å; D25-S48 VanDerWaalsContact CG-OG 3.31Å; D25-S48 VanDerWaalsContact OD1-C 3.3Å; D25-S48 WeakPolarHBondContact OD1-CB 3.36Å; D25-S48 PolarHBondContact OD1-OG 2.91Å; D25-S48 PolarHBondContact OD2-OG 3.06Å; S48-I50 WeakPolarHBondContact OG-CD1 3.41Å
49L97.8Very high96.6Very high0 Ų039.4 Ų39.40%023%0.225CC..  trans-133.350.1-178.7-77.3163.9000109.1M3 L24 D25 I34 L47 V52 L54 E70 L71 N74M3-L49 HydrophobicContact CE-CD2 3.67Å; M3-L49 HydrophobicContact SD-CD2 4.38Å; L24-L49 HydrophobicContact CB-CD2 3.85Å; L24-L49 HydrophobicContact CD1-CD2 3.93Å; L24-L49 HydrophobicContact CG-CD2 4.48Å; D25-L49 PolarHBondContact OD1-N 3.09Å; I34-L49 HydrophobicContact CD1-CD1 4.08Å; I34-L49 HydrophobicContact CG1-CD1 4.45Å; L47-L49 HydrophobicContact CD1-CD1 4.38Å; L47-L49 HydrophobicContact CD1-CG 4.2Å; L47-L49 HydrophobicContact CD2-CD1 3.83Å; L47-L49 HydrophobicContact CG-CD1 4.01Å; L47-L49 HydrophobicContact CG-CG 4.19Å; L49-V52 HydrophobicContact CB-CG2 4.2Å; L49-V52 HydrophobicContact CD2-CG1 4.46Å; L49-V52 HydrophobicContact CD2-CG2 4.32Å; L49-V52 WeakPolarHBondContact O-CG2 3.2Å; L49-L54 HydrophobicContact CB-CD1 4.3Å; L49-L54 HydrophobicContact CD1-CD1 4.23Å; L49-E70 PolarHBondContact N-O 3.49Å; L49-L71 HydrophobicContact CB-CD2 3.87Å; L49-L71 HydrophobicContact CD1-CD2 4Å; L49-N74 PolarHBondContact O-ND2 2.9Å
50I98.1Very high96.7Very high42 Ų4235.7 Ų35.722%0.21520%0.199CC..THydrogen-bonded Turntrans-80.7135.3-176.3-59.9170.2000110.5D25 N26 S48 V52 E70 S72 D73D25-I50 VanDerWaalsContact CA-O 3.31Å; D25-I50 WeakPolarHBondContact CA-O 3.4Å; D25-I50 HydrophobicContact CB-CB 4.2Å; D25-I50 PolarHBondContact OD1-N 3Å; N26-I50 PolarHBondContact N-O 2.9Å; S48-I50 WeakPolarHBondContact OG-CD1 3.41Å; I50-V52 VanDerWaalsContact C-N 3.31Å; I50-V52 WeakPolarHBondContact O-CG1 3.43Å; I50-V52 PolarHBondContact O-N 2.91Å; I50-E70 HydrophobicContact CD1-CB 4.15Å; I50-E70 HydrophobicContact CG1-CB 4.02Å; I50-S72 WeakPolarHBondContact CA-O 3.37Å; I50-D73 HydrophobicContact CG2-CB 4.44Å
51N97.7Very high96.7Very high83 Ų8331 Ų3144%0.44418%0.179SC..THydrogen-bonded Turntrans52.346.3174.9-173.833.1000113.3N26 S72 D73N26-N51 PolarHBondContact OD1-ND2 3.42Å; N51-S72 PolarHBondContact N-O 2.87Å; N51-D73 WeakPolarHBondContact CA-O 3.41Å; N51-D73 HydrophobicContact CB-CB 4Å
52V97.3Very high96.7Very high5 Ų537.1 Ų37.13%0.0321%0.205CC..SBendtrans-102.9-1.6178.7-59.90000113.4M3 L24 C27 S29 L49 I50 L54 N74M3-V52 HydrophobicContact CE-CB 4.26Å; M3-V52 HydrophobicContact CE-CG2 4.27Å; L24-V52 WeakPolarHBondContact O-CG1 3.41Å; C27-V52 VanDerWaalsContact O-CA 3.25Å; C27-V52 WeakPolarHBondContact O-CA 3.25Å; C27-V52 WeakPolarHBondContact SG-CG1 3.4Å; S29-V52 WeakPolarHBondContact CB-O 3.43Å; S29-V52 PolarHBondContact N-O 2.95Å; S29-V52 VanDerWaalsContact N-O 3.1Å; S29-V52 PolarHBondContact OG-O 3.26Å; L49-V52 HydrophobicContact CB-CG2 4.2Å; L49-V52 HydrophobicContact CD2-CG1 4.46Å; L49-V52 HydrophobicContact CD2-CG2 4.32Å; L49-V52 WeakPolarHBondContact O-CG2 3.2Å; I50-V52 VanDerWaalsContact C-N 3.31Å; I50-V52 WeakPolarHBondContact O-CG1 3.43Å; I50-V52 PolarHBondContact O-N 2.91Å; V52-L54 HydrophobicContact CG2-CB 4.31Å; V52-L54 HydrophobicContact CG2-CD1 3.57Å; V52-L54 HydrophobicContact CG2-CG 3.5Å; V52-N74 VanDerWaalsContact CG2-OD1 3.24Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.38Å; V52-N74 PolarHBondContact N-OD1 3.27Å
53G96.6Very high96.8Very high30 Ų3033.6 Ų33.631%0.30918%0.184SC..  trans76.124.6178.900000114.5S29 G32 N74S29-G53 PolarHBondContact OG-O 3Å; G32-G53 VanDerWaalsContact CA-O 3.3Å; G32-G53 WeakPolarHBondContact CA-O 3.45Å; G53-N74 PolarHBondContact N-OD1 2.67Å
54L97.6Very high96.7Very high0 Ų033.4 Ų33.40%019%0.189CC..  trans-65.3139.4178.3-74168.3000111.5G32 K33 I34 L49 V52 L71 N74 R75 I76G32-L54 WeakPolarHBondContact O-CA 3.49Å; G32-L54 WeakPolarHBondContact O-CD2 3.24Å; K33-L54 VanDerWaalsContact C-CD2 3.4Å; I34-L54 HydrophobicContact CD1-CD1 4.28Å; I34-L54 HydrophobicContact CG1-CD1 3.87Å; I34-L54 HydrophobicContact CG1-CD2 3.61Å; I34-L54 HydrophobicContact CG1-CG 4.4Å; L49-L54 HydrophobicContact CB-CD1 4.3Å; L49-L54 HydrophobicContact CD1-CD1 4.23Å; V52-L54 HydrophobicContact CG2-CB 4.31Å; V52-L54 HydrophobicContact CG2-CD1 3.57Å; V52-L54 HydrophobicContact CG2-CG 3.5Å; L54-L71 HydrophobicContact CD1-CD2 4Å; L54-N74 HydrophobicContact CB-CB 4.19Å; L54-N74 PolarHBondContact N-OD1 3.15Å; L54-R75 CarbonylContact O-C 3.59Å; L54-R75 WeakPolarHBondContact O-CA 3.33Å; L54-R75 WeakPolarHBondContact O-CB 3.29Å; L54-R75 PolarHBondContact O-N 3.32Å; L54-I76 HydrophobicContact CB-CG1 4.43Å; L54-I76 PolarHBondContact O-N 3.02Å
55I97Very high96.7Very high88 Ų8838.4 Ų38.445%0.45121%0.211SC..SBendtrans-107.7-18.5170.764.4177.2000111.8E31 G32 R75E31-I55 WeakPolarHBondContact O-CD1 3.33Å; G32-I55 WeakPolarHBondContact O-CG1 2.95Å; G32-I55 PolarHBondContact O-N 3.04Å; I55-R75 HydrophobicContact CG2-CB 4.14Å
56S94.7Very high96.7Very high30 Ų3036.3 Ų36.321%0.2120%0.201CC..  trans-151.6149.3-176.1175.50000110.8G32 S58G32-S56 PolarHBondContact O-N 3.44Å; S56-S58 WeakPolarHBondContact OG-CB 3.33Å; S56-S58 PolarHBondContact OG-N 3.1Å; S56-S58 VanDerWaalsContact OG-N 3.07Å; S56-S58 PolarHBondContact OG-OG 3.34Å
57V95.7Very high96.6Very high0 Ų037 Ų370%020%0.204CC..  trans-100.57.2173.8-64.20000112.9N59 L60 L71 I76 G79 V82 L83V57-N59 PolarHBondContact O-N 3.14Å; V57-L60 HydrophobicContact CB-CD1 3.88Å; V57-L60 HydrophobicContact CB-CG 4.43Å; V57-L60 HydrophobicContact CG1-CD1 4.48Å; V57-L60 WeakPolarHBondContact O-CB 3.22Å; V57-L60 WeakPolarHBondContact O-CG 3.15Å; V57-L60 PolarHBondContact O-N 3.39Å; V57-L71 HydrophobicContact CG1-CD1 3.73Å; V57-L71 HydrophobicContact CG1-CD2 4.35Å; V57-I76 HydrophobicContact CG1-CD1 3.75Å; V57-I76 HydrophobicContact CG1-CG1 4.5Å; V57-G79 WeakPolarHBondContact CG2-O 3.38Å; V57-V82 WeakPolarHBondContact O-CG1 3.49Å; V57-L83 HydrophobicContact CB-CD2 4.25Å; V57-L83 HydrophobicContact CG2-CD2 3.95Å; V57-L83 HydrophobicContact CG2-CG 4.24Å
58S93.6Very high96.6Very high55 Ų5539.8 Ų39.839%0.38522%0.216SC..THydrogen-bonded Turntrans-56.4-26.5-174.258.60000115.1S56 L60S56-S58 WeakPolarHBondContact OG-CB 3.33Å; S56-S58 PolarHBondContact OG-N 3.1Å; S56-S58 VanDerWaalsContact OG-N 3.07Å; S56-S58 PolarHBondContact OG-OG 3.34Å; S58-L60 VanDerWaalsContact C-N 3.32Å
59N94.7Very high96.6Very high76 Ų7639.6 Ų39.641%0.40622%0.215SC..THydrogen-bonded Turntrans-91.29.6-177-7331.3000113.1I34 V57I34-N59 HydrophobicContact CB-CB 4.13Å; V57-N59 PolarHBondContact O-N 3.14Å
60L95.8Very high96.7Very high4 Ų441 Ų412%0.02122%0.221CC..PPolyproline II helixtrans-61.9127.9172.7-81.5170.2000110.3I34 L47 V57 S58 L69 V82 L83 L87I34-L60 HydrophobicContact CD1-CD1 4.49Å; I34-L60 HydrophobicContact CD1-CD2 3.46Å; I34-L60 VanDerWaalsContact CD1-CD2 3.46Å; I34-L60 HydrophobicContact CD1-CG 3.53Å; L47-L60 HydrophobicContact CD2-CD2 4.28Å; V57-L60 HydrophobicContact CB-CD1 3.88Å; V57-L60 HydrophobicContact CB-CG 4.43Å; V57-L60 HydrophobicContact CG1-CD1 4.48Å; V57-L60 WeakPolarHBondContact O-CB 3.22Å; V57-L60 WeakPolarHBondContact O-CG 3.15Å; V57-L60 PolarHBondContact O-N 3.39Å; S58-L60 VanDerWaalsContact C-N 3.32Å; L60-L69 HydrophobicContact CD1-CD2 4.4Å; L60-V82 HydrophobicContact CB-CG1 4.46Å; L60-L83 HydrophobicContact CD1-CD2 3.54Å; L60-L87 HydrophobicContact CD1-CD1 4.16Å
61P96Very high96.7Very high19 Ų1939 Ų3912%0.12321%0.211CC..PPolyproline II helixtrans-68.5166.4167.331.4-34.1000109.9L37 T38 L63L37-P61 HydrophobicContact CB-CG 4.01Å; T38-P61 VanDerWaalsContact C-CB 3.45Å; T38-P61 WeakPolarHBondContact O-CG 3.38Å; P61-L63 HydrophobicContact CG-CD1 4.3Å; P61-L63 HydrophobicContact CG-CD2 4.04Å; P61-L63 HydrophobicContact CG-CG 4.06Å; P61-L63 PolarHBondContact O-N 2.72Å
62K96.3Very high96.7Very high132 Ų13235.4 Ų35.457%0.57419%0.193SC*.PPolyproline II helixtrans-70.6118.1171.1-174.5172.9-176.1175.80108.8K86K62-K86 WeakPolarHBondContact CA-O 3.4Å; K62-K86 HydrophobicContact CB-CD 4.28Å
63L96.8Very high96.7Very high2 Ų239.4 Ų39.41%0.0121%0.214CC..  trans-124.285.1-179.7-59169.6000107.9F41 L44 L47 P61 K65 L66 K86 L87F41-L63 HydrophobicContact CB-CD2 3.85Å; F41-L63 WeakPolarHBondContact O-CD2 3.48Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L47-L63 HydrophobicContact CD2-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD1 4.3Å; P61-L63 HydrophobicContact CG-CD2 4.04Å; P61-L63 HydrophobicContact CG-CG 4.06Å; P61-L63 PolarHBondContact O-N 2.72Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 2.61Å; L63-L66 HydrophobicContact CB-CB 3.87Å; L63-L66 HydrophobicContact CD1-CD2 4.23Å; L63-L66 PolarHBondContact O-N 2.96Å; L63-K86 PolarHBondContact N-O 3.18Å; L63-L87 HydrophobicContact CB-CD2 3.72Å; L63-L87 HydrophobicContact CD1-CD2 4.21Å; L63-L87 HydrophobicContact CG-CD2 4.32Å
64A94.8Very high96.8Very high45 Ų4538.3 Ų38.337%0.37220%0.201SC..THydrogen-bonded Turntrans-67.1-26.9-169.700000113.5N89A64-N89 WeakPolarHBondContact O-CB 3.48Å; A64-N89 PolarHBondContact O-ND2 2.8Å
65K96.9Very high96.8Very high105 Ų10545.8 Ų45.846%0.45723%0.229SC..THydrogen-bonded Turntrans-93.1-1.3179-69.9-172.8174-176.70113.7V42 N43 L44 L63 K67V42-K65 WeakPolarHBondContact O-CD 3.41Å; N43-K65 PolarHBondContact OD1-NZ 2.96Å; L44-K65 CarbonylContact O-C 3.39Å; L63-K65 VanDerWaalsContact C-N 3.27Å; L63-K65 PolarHBondContact O-N 2.61Å; K65-K67 PolarHBondContact O-N 3Å
66L97.9Very high96.9Very high0 Ų041.6 Ų41.60%021%0.207CC..  trans-69.9122.3-177.8-162.979.6000110.2L44 L47 L63 L69 L87 N89 L90L44-L66 HydrophobicContact CB-CD1 4.44Å; L44-L66 HydrophobicContact CD2-CD1 4Å; L44-L66 HydrophobicContact CG-CD1 3.86Å; L44-L66 WeakPolarHBondContact O-CA 3.35Å; L44-L66 PolarHBondContact O-N 2.84Å; L47-L66 HydrophobicContact CB-CD1 3.75Å; L47-L66 HydrophobicContact CB-CD2 4.25Å; L63-L66 HydrophobicContact CB-CB 3.87Å; L63-L66 HydrophobicContact CD1-CD2 4.23Å; L63-L66 PolarHBondContact O-N 2.96Å; L66-L69 HydrophobicContact CD2-CB 4.2Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L66-L87 HydrophobicContact CB-CD2 4.15Å; L66-L87 HydrophobicContact CD2-CD1 3.98Å; L66-L87 HydrophobicContact CD2-CD2 3.7Å; L66-L87 HydrophobicContact CD2-CG 4.41Å; L66-N89 CarbonylContact O-C 3.51Å; L66-L90 HydrophobicContact CD2-CD1 4.3Å; L66-L90 HydrophobicContact CG-CD1 4.48Å; L66-L90 PolarHBondContact O-N 3.01Å
67K97.6Very high97Very high57 Ų5743.8 Ų43.825%0.24822%0.223CC..  trans-109.7-32.3-178-70.8172.8177.2177.60112E45 K65 T91 H92 V162E45-K67 PolarHBondContact O-N 3.02Å; K65-K67 PolarHBondContact O-N 3Å; K67-T91 PolarHBondContact O-N 2.83Å; K67-T91 PolarHBondContact O-OG1 3.02Å; K67-H92 PolarHBondContact O-N 3.27Å; K67-V162 HydrophobicContact CB-CG1 4.5Å; K67-V162 HydrophobicContact CB-CG2 3.9Å; K67-V162 HydrophobicContact CD-CB 4.29Å; K67-V162 HydrophobicContact CD-CG1 3.21Å; K67-V162 HydrophobicContact CD-CG2 4.1Å; K67-V162 HydrophobicContact CG-CG1 4.49Å
68K98.2Very high96.9Very high59 Ų5944.7 Ų44.726%0.25723%0.232SC..EExtended strand (participates in β ladder)trans-130.6132-179-179.9171.4-176.7174.10112.1E45 F46 L47 E70 H92E45-K68 PolarHBondContact O-N 2.85Å; F46-K68 WeakPolarHBondContact CA-O 3.38Å; F46-K68 HydrophobicContact CD2-CB 3.85Å; F46-K68 HydrophobicContact CD2-CD 3.73Å; F46-K68 HydrophobicContact CD2-CG 3.62Å; F46-K68 HydrophobicContact CE2-CD 3.75Å; F46-K68 HydrophobicContact CE2-CG 3.78Å; L47-K68 PolarHBondContact N-O 3.32Å; L47-K68 VanDerWaalsContact N-O 3.07Å; K68-E70 WeakPolarHBondContact CE-OE1 3.42Å; K68-E70 IonicContact NZ-OE1 3.22Å; K68-H92 WeakPolarHBondContact CA-O 3.42Å; K68-H92 HydrophobicContact CB-CB 3.95Å; K68-H92 HydrophobicContact CD-CB 4.24Å; K68-H92 HydrophobicContact CG-CB 3.76Å
69L98.5Very high97Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-133.6117.5-177.7177.458.1000110.9L47 L60 L66 L71 L83 L87 L90 H92 L93 N94L47-L69 HydrophobicContact CB-CD1 4.04Å; L47-L69 HydrophobicContact CD2-CD1 3.96Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.22Å; L60-L69 HydrophobicContact CD1-CD2 4.4Å; L66-L69 HydrophobicContact CD2-CB 4.2Å; L66-L69 HydrophobicContact CD2-CD1 4.44Å; L69-L71 HydrophobicContact CD1-CD1 4.47Å; L69-L71 HydrophobicContact CD1-CD2 4.34Å; L69-L71 HydrophobicContact CD1-CG 4.08Å; L69-L71 HydrophobicContact CD2-CD1 3.77Å; L69-L71 HydrophobicContact CD2-CG 4.27Å; L69-L71 HydrophobicContact CG-CD1 3.95Å; L69-L71 HydrophobicContact CG-CG 3.92Å; L69-L83 HydrophobicContact CD2-CD2 4.1Å; L69-L87 HydrophobicContact CD2-CD1 3.6Å; L69-L90 HydrophobicContact CB-CD1 3.76Å; L69-L90 HydrophobicContact CB-CD2 4.49Å; L69-H92 PolarHBondContact N-O 2.72Å; L69-L93 HydrophobicContact CB-CD1 4.21Å; L69-L93 HydrophobicContact CD2-CD1 4.08Å; L69-L93 HydrophobicContact CG-CD1 4.13Å; L69-N94 PolarHBondContact O-N 3.43Å
70E98.4Very high97Very high29 Ų2940.3 Ų40.314%0.13621%0.213CC..EExtended strand (participates in β ladder)trans-100.8117.8174.9-57.3-7015100110.1F46 L47 L49 I50 K68 N94F46-E70 HydrophobicContact CE2-CG 3.83Å; F46-E70 HydrophobicContact CZ-CG 4.01Å; L47-E70 PolarHBondContact O-N 2.84Å; L49-E70 PolarHBondContact N-O 3.49Å; I50-E70 HydrophobicContact CD1-CB 4.15Å; I50-E70 HydrophobicContact CG1-CB 4.02Å; K68-E70 WeakPolarHBondContact CE-OE1 3.42Å; K68-E70 IonicContact NZ-OE1 3.22Å; E70-N94 WeakPolarHBondContact OE2-CB 3.48Å; E70-N94 PolarHBondContact OE2-ND2 2.73Å
71L98.3Very high97Very high0 Ų044.2 Ų44.20%023%0.234CC..  trans-123.823.6178.6-69.9167000112.1L49 L54 V57 L69 N74 I76 L93 N94 L95 N98L49-L71 HydrophobicContact CB-CD2 3.87Å; L49-L71 HydrophobicContact CD1-CD2 4Å; L54-L71 HydrophobicContact CD1-CD2 4Å; V57-L71 HydrophobicContact CG1-CD1 3.73Å; V57-L71 HydrophobicContact CG1-CD2 4.35Å; L69-L71 HydrophobicContact CD1-CD1 4.47Å; L69-L71 HydrophobicContact CD1-CD2 4.34Å; L69-L71 HydrophobicContact CD1-CG 4.08Å; L69-L71 HydrophobicContact CD2-CD1 3.77Å; L69-L71 HydrophobicContact CD2-CG 4.27Å; L69-L71 HydrophobicContact CG-CD1 3.95Å; L69-L71 HydrophobicContact CG-CG 3.92Å; L71-N74 VanDerWaalsContact C-ND2 3.33Å; L71-N74 PolarHBondContact O-ND2 3.24Å; L71-I76 HydrophobicContact CB-CD1 4.12Å; L71-I76 HydrophobicContact CD1-CD1 4.09Å; L71-I76 HydrophobicContact CD2-CD1 4.28Å; L71-I76 HydrophobicContact CG-CD1 4.42Å; L71-L93 HydrophobicContact CD1-CD1 4.22Å; L71-N94 WeakPolarHBondContact CA-O 3.24Å; L71-N94 WeakPolarHBondContact CB-O 3.17Å; L71-N94 PolarHBondContact N-O 3.04Å; L71-L95 HydrophobicContact CB-CD2 4.06Å; L71-L95 HydrophobicContact CD1-CD2 3.95Å; L71-N98 PolarHBondContact O-ND2 3.31Å
72S98.2Very high97Very high8 Ų844.3 Ų44.36%0.05624%0.235CC..THydrogen-bonded Turntrans-60.2152.4-177.1-47.20000113I50 N51 N74 N94 S96I50-S72 WeakPolarHBondContact CA-O 3.37Å; N51-S72 PolarHBondContact N-O 2.87Å; S72-N74 VanDerWaalsContact C-N 3.27Å; S72-N74 PolarHBondContact O-N 3.08Å; S72-N74 PolarHBondContact O-ND2 3.33Å; S72-N94 PolarHBondContact OG-ND2 2.95Å; S72-N94 PolarHBondContact OG-OD1 2.79Å; S72-S96 CarbonylContact C-O 3.37Å; S72-S96 VanDerWaalsContact CA-O 3.22Å; S72-S96 WeakPolarHBondContact CA-O 3.43Å; S72-S96 WeakPolarHBondContact CB-OG 3.43Å; S72-S96 PolarHBondContact OG-OG 2.83Å
73D98Very high97Very high88 Ų8838 Ų3847%0.47121%0.207SC..THydrogen-bonded Turntrans5638176.3-64.4-38.5000114.1I50 N51 S96I50-D73 HydrophobicContact CG2-CB 4.44Å; N51-D73 WeakPolarHBondContact CA-O 3.41Å; N51-D73 HydrophobicContact CB-CB 4Å; D73-S96 PolarHBondContact N-O 3.06Å
74N98.4Very high96.7Very high7 Ų739 Ų394%0.03722%0.215CC..SBendtrans-105.4-165.3171.3-74.9-68000111L49 V52 G53 L54 L71 S72 I76 G97 N98L49-N74 PolarHBondContact O-ND2 2.9Å; V52-N74 VanDerWaalsContact CG2-OD1 3.24Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.38Å; V52-N74 PolarHBondContact N-OD1 3.27Å; G53-N74 PolarHBondContact N-OD1 2.67Å; L54-N74 HydrophobicContact CB-CB 4.19Å; L54-N74 PolarHBondContact N-OD1 3.15Å; L71-N74 VanDerWaalsContact C-ND2 3.33Å; L71-N74 PolarHBondContact O-ND2 3.24Å; S72-N74 VanDerWaalsContact C-N 3.27Å; S72-N74 PolarHBondContact O-N 3.08Å; S72-N74 PolarHBondContact O-ND2 3.33Å; N74-I76 HydrophobicContact CB-CD1 4.22Å; N74-I76 HydrophobicContact CB-CG1 4.27Å; N74-G97 VanDerWaalsContact O-O 3.1Å; N74-N98 WeakPolarHBondContact CA-OD1 3.42Å; N74-N98 WeakPolarHBondContact CB-OD1 3.3Å
75R97.9Very high96.6Very high157 Ų15742.8 Ų42.859%0.59223%0.226SC*.  trans-126.227.6-178.3-60.1178.1-177.5-167.30.3111.2L54 I55 N98 K99L54-R75 CarbonylContact O-C 3.59Å; L54-R75 WeakPolarHBondContact O-CA 3.33Å; L54-R75 WeakPolarHBondContact O-CB 3.29Å; L54-R75 PolarHBondContact O-N 3.32Å; I55-R75 HydrophobicContact CG2-CB 4.14Å; R75-N98 PolarHBondContact N-OD1 2.99Å; R75-K99 HydrophobicContact CB-CD 4.42Å
76I97.9Very high96.6Very high0 Ų040.1 Ų40.10%021%0.214CC..  trans-68.6132-179.6-59.8161.1000108.5L54 V57 L71 N74 L80 L95 N98 K99L54-I76 HydrophobicContact CB-CG1 4.43Å; L54-I76 PolarHBondContact O-N 3.02Å; V57-I76 HydrophobicContact CG1-CD1 3.75Å; V57-I76 HydrophobicContact CG1-CG1 4.5Å; L71-I76 HydrophobicContact CB-CD1 4.12Å; L71-I76 HydrophobicContact CD1-CD1 4.09Å; L71-I76 HydrophobicContact CD2-CD1 4.28Å; L71-I76 HydrophobicContact CG-CD1 4.42Å; N74-I76 HydrophobicContact CB-CD1 4.22Å; N74-I76 HydrophobicContact CB-CG1 4.27Å; I76-L80 HydrophobicContact CG2-CD2 4.23Å; I76-L95 HydrophobicContact CD1-CD2 4.32Å; I76-N98 HydrophobicContact CB-CB 4.41Å; I76-N98 VanDerWaalsContact CB-OD1 3.29Å; I76-N98 WeakPolarHBondContact CB-OD1 3.34Å; I76-N98 PolarHBondContact N-OD1 2.82Å; I76-K99 CarbonylContact O-C 3.57Å; I76-K99 WeakPolarHBondContact O-CA 3.42Å; I76-K99 PolarHBondContact O-N 2.82Å
77S96.4Very high96.5Very high76 Ų7640.1 Ų40.153%0.53121%0.214SC..  trans-1268.5179.8660000113.4K99 T105S77-K99 WeakPolarHBondContact CA-O 3.42Å; S77-K99 WeakPolarHBondContact CB-O 3.49Å; S77-T105 WeakPolarHBondContact O-CG2 3.41Å
78G95Very high96.4Very high19 Ų1939.8 Ų39.820%0.19622%0.217CC..SBendtrans160.8-160.5-177.200000112.6L80G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 2.96Å
79G94.3Very high96.3Very high38 Ų3840.5 Ų40.539%0.39222%0.224SC..  trans69.528.4-179.700000113.7V57 D81V57-G79 WeakPolarHBondContact CG2-O 3.38Å; G79-D81 WeakPolarHBondContact CA-OD1 3.48Å; G79-D81 PolarHBondContact O-N 3.18Å
80L96.1Very high96.3Very high1 Ų140.5 Ų40.51%0.00522%0.224CC..THydrogen-bonded Turntrans-76.3-9.3-177.5-56.5-176.6000112.9I76 G78 V82 L83 L95 L100 L106 P108 L109I76-L80 HydrophobicContact CG2-CD2 4.23Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 2.96Å; L80-V82 PolarHBondContact O-N 2.98Å; L80-L83 HydrophobicContact CB-CD1 4.35Å; L80-L83 HydrophobicContact CD2-CD1 4.08Å; L80-L83 WeakPolarHBondContact O-CB 3.25Å; L80-L83 PolarHBondContact O-N 3.2Å; L80-L95 HydrophobicContact CD1-CD1 4.14Å; L80-L95 HydrophobicContact CD2-CD1 4.27Å; L80-L100 HydrophobicContact CD1-CD2 4.4Å; L80-L106 HydrophobicContact CD1-CD2 4.21Å; L80-P108 HydrophobicContact CB-CB 4.31Å; L80-L109 HydrophobicContact CB-CD2 3.89Å; L80-L109 HydrophobicContact CB-CG 4.41Å; L80-L109 HydrophobicContact CD1-CD1 4.06Å; L80-L109 HydrophobicContact CD1-CD2 4.03Å; L80-L109 HydrophobicContact CD1-CG 4Å; L80-L109 HydrophobicContact CG-CD2 4.49Å
81D95Very high96.2Very high86 Ų8640.3 Ų40.346%0.4623%0.225SC..Hα-helixtrans-60.3-31.9177.457-62.2000113.1G79 L83 A84 P108G79-D81 WeakPolarHBondContact CA-OD1 3.48Å; G79-D81 PolarHBondContact O-N 3.18Å; D81-L83 PolarHBondContact O-N 3Å; D81-A84 PolarHBondContact O-N 2.89Å; D81-P108 HydrophobicContact CB-CB 3.88Å; D81-P108 HydrophobicContact CB-CG 4.35Å
82V95.1Very high96.2Very high22 Ų2241.4 Ų41.413%0.13323%0.23CC..Hα-helixtrans-61.2-31.8174.7154.80000112.2V57 L60 L80 A84 E85 K86V57-V82 WeakPolarHBondContact O-CG1 3.49Å; L60-V82 HydrophobicContact CB-CG1 4.46Å; L80-V82 PolarHBondContact O-N 2.98Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 2.87Å; V82-E85 PolarHBondContact O-N 3.22Å; V82-K86 HydrophobicContact CG1-CG 3.78Å; V82-K86 WeakPolarHBondContact O-CB 3.37Å; V82-K86 VanDerWaalsContact O-CG 3.31Å; V82-K86 WeakPolarHBondContact O-CG 3.29Å; V82-K86 PolarHBondContact O-N 3.25Å
83L96.3Very high96.2Very high0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-61.5-42.1-178.8-58.6178.9000110.9V57 L60 L69 L80 D81 E85 K86 L87 L93 L109 L112V57-L83 HydrophobicContact CB-CD2 4.25Å; V57-L83 HydrophobicContact CG2-CD2 3.95Å; V57-L83 HydrophobicContact CG2-CG 4.24Å; L60-L83 HydrophobicContact CD1-CD2 3.54Å; L69-L83 HydrophobicContact CD2-CD2 4.1Å; L80-L83 HydrophobicContact CB-CD1 4.35Å; L80-L83 HydrophobicContact CD2-CD1 4.08Å; L80-L83 WeakPolarHBondContact O-CB 3.25Å; L80-L83 PolarHBondContact O-N 3.2Å; D81-L83 PolarHBondContact O-N 3Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-E85 PolarHBondContact O-N 3.3Å; L83-K86 PolarHBondContact O-N 2.85Å; L83-L87 HydrophobicContact CD2-CD1 3.82Å; L83-L87 WeakPolarHBondContact O-CA 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 PolarHBondContact O-N 2.92Å; L83-L93 HydrophobicContact CD1-CD1 4.46Å; L83-L93 HydrophobicContact CD1-CD2 3.8Å; L83-L109 HydrophobicContact CD1-CD2 3.97Å; L83-L112 HydrophobicContact CB-CD1 4.19Å
84A91.9Very high96.2Very high22 Ų2238 Ų3818%0.18221%0.211CC..Hα-helixtrans-65-33.9178.400000113.4D81 V82 K111 L112D81-A84 PolarHBondContact O-N 2.89Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 2.87Å; A84-K111 HydrophobicContact CB-CB 3.49Å; A84-K111 VanDerWaalsContact CB-CB 3.49Å; A84-K111 HydrophobicContact CB-CD 4.22Å; A84-L112 HydrophobicContact CB-CD2 4.25Å; A84-L112 HydrophobicContact CB-CG 4.32Å
85E92.1Very high96.2Very high125 Ų12537.7 Ų37.758%0.58421%0.21SC*.Hα-helixtrans-76.2-39.1177.8-167.3-160.6132.600112V82 L83V82-E85 PolarHBondContact O-N 3.22Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-E85 PolarHBondContact O-N 3.3Å
86K96.1Very high96.3Very high48 Ų4831 Ų3121%0.20919%0.187CC..Hα-helixtrans-93.2-29.1-169.6-60.3-54.1-174.9-157.90113.7K62 L63 V82 L83 P88K62-K86 WeakPolarHBondContact CA-O 3.4Å; K62-K86 HydrophobicContact CB-CD 4.28Å; L63-K86 PolarHBondContact N-O 3.18Å; V82-K86 HydrophobicContact CG1-CG 3.78Å; V82-K86 WeakPolarHBondContact O-CB 3.37Å; V82-K86 VanDerWaalsContact O-CG 3.31Å; V82-K86 WeakPolarHBondContact O-CG 3.29Å; V82-K86 PolarHBondContact O-N 3.25Å; L83-K86 PolarHBondContact O-N 2.85Å; K86-P88 VanDerWaalsContact C-CD 3.48Å; K86-P88 WeakPolarHBondContact O-CD 3.32Å
87L97.3Very high96.3Very high0 Ų031.9 Ų31.90%020%0.196CC..  trans-127.463.9-169.5-46.6177.2000110.9L60 L63 L66 L69 L83 N89 L90 L112L60-L87 HydrophobicContact CD1-CD1 4.16Å; L63-L87 HydrophobicContact CB-CD2 3.72Å; L63-L87 HydrophobicContact CD1-CD2 4.21Å; L63-L87 HydrophobicContact CG-CD2 4.32Å; L66-L87 HydrophobicContact CB-CD2 4.15Å; L66-L87 HydrophobicContact CD2-CD1 3.98Å; L66-L87 HydrophobicContact CD2-CD2 3.7Å; L66-L87 HydrophobicContact CD2-CG 4.41Å; L69-L87 HydrophobicContact CD2-CD1 3.6Å; L83-L87 HydrophobicContact CD2-CD1 3.82Å; L83-L87 WeakPolarHBondContact O-CA 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 PolarHBondContact O-N 2.92Å; L87-N89 PolarHBondContact O-N 3.07Å; L87-N89 VanDerWaalsContact O-N 3.15Å; L87-L90 HydrophobicContact CB-CB 4.05Å; L87-L90 HydrophobicContact CD1-CD1 4.37Å; L87-L90 HydrophobicContact CD1-CD2 4.15Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.41Å; L87-L112 WeakPolarHBondContact O-CD2 3.23Å
88P95Very high96.4Very high50 Ų5028.5 Ų28.533%0.32517%0.172SC..THydrogen-bonded Turntrans-63.9-23.2-171.826.9-36.4000114.3K86 N114K86-P88 VanDerWaalsContact C-CD 3.48Å; K86-P88 WeakPolarHBondContact O-CD 3.32Å; P88-N114 PolarHBondContact O-ND2 3.28Å; P88-N114 VanDerWaalsContact O-ND2 3.12Å
89N96Very high96.5Very high75 Ų7532.6 Ų32.640%0.40118%0.184SC..THydrogen-bonded Turntrans-105.217.8-177.4-64.7-37.2000112.9A64 L66 L87 T91A64-N89 WeakPolarHBondContact O-CB 3.48Å; A64-N89 PolarHBondContact O-ND2 2.8Å; L66-N89 CarbonylContact O-C 3.51Å; L87-N89 PolarHBondContact O-N 3.07Å; L87-N89 VanDerWaalsContact O-N 3.15Å; N89-T91 PolarHBondContact O-N 2.69Å
90L97.9Very high96.6Very high0 Ų030.8 Ų30.80%017%0.166CC..  trans-67.6127.3179.3-165.472.6000110.5L66 L69 L87 L93 L112 N114 L115L66-L90 HydrophobicContact CD2-CD1 4.3Å; L66-L90 HydrophobicContact CG-CD1 4.48Å; L66-L90 PolarHBondContact O-N 3.01Å; L69-L90 HydrophobicContact CB-CD1 3.76Å; L69-L90 HydrophobicContact CB-CD2 4.49Å; L87-L90 HydrophobicContact CB-CB 4.05Å; L87-L90 HydrophobicContact CD1-CD1 4.37Å; L87-L90 HydrophobicContact CD1-CD2 4.15Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.41Å; L90-L93 HydrophobicContact CD2-CB 4.12Å; L90-L93 HydrophobicContact CD2-CD1 4.33Å; L90-L93 HydrophobicContact CD2-CD2 4.41Å; L90-L112 HydrophobicContact CB-CD2 4.33Å; L90-L112 HydrophobicContact CD2-CD1 4.31Å; L90-N114 CarbonylContact O-C 3.47Å; L90-N114 VanDerWaalsContact O-C 3.3Å; L90-L115 WeakPolarHBondContact O-CA 3.49Å; L90-L115 PolarHBondContact O-N 3.2Å
91T97.7Very high96.5Very high24 Ų2435.6 Ų35.615%0.14719%0.186CC..  trans-113.4-31.1-179.558.60000112.4K67 N89 N114 K116 S117K67-T91 PolarHBondContact O-N 2.83Å; K67-T91 PolarHBondContact O-OG1 3.02Å; N89-T91 PolarHBondContact O-N 2.69Å; T91-N114 WeakPolarHBondContact CA-O 3.22Å; T91-N114 HydrophobicContact CG2-CB 4.44Å; T91-K116 PolarHBondContact O-N 3.48Å; T91-S117 PolarHBondContact O-N 3.26Å
92H98.1Very high96.5Very high24 Ų2435.7 Ų35.711%0.11119%0.187CC..EExtended strand (participates in β ladder)trans-127126.2-177-68.379.3000110.3K67 K68 L69 S117K67-H92 PolarHBondContact O-N 3.27Å; K68-H92 WeakPolarHBondContact CA-O 3.42Å; K68-H92 HydrophobicContact CB-CB 3.95Å; K68-H92 HydrophobicContact CD-CB 4.24Å; K68-H92 HydrophobicContact CG-CB 3.76Å; L69-H92 PolarHBondContact N-O 2.72Å; H92-S117 WeakPolarHBondContact CD2-CB 3.34Å
93L98.3Very high96.5Very high4 Ų436.3 Ų36.32%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-134.6119.7178.8177.657.8000110.5L69 L71 L83 L90 L95 L109 L115 S117 L118 D119L69-L93 HydrophobicContact CB-CD1 4.21Å; L69-L93 HydrophobicContact CD2-CD1 4.08Å; L69-L93 HydrophobicContact CG-CD1 4.13Å; L71-L93 HydrophobicContact CD1-CD1 4.22Å; L83-L93 HydrophobicContact CD1-CD1 4.46Å; L83-L93 HydrophobicContact CD1-CD2 3.8Å; L90-L93 HydrophobicContact CD2-CB 4.12Å; L90-L93 HydrophobicContact CD2-CD1 4.33Å; L90-L93 HydrophobicContact CD2-CD2 4.41Å; L93-L95 HydrophobicContact CD1-CD1 4.47Å; L93-L95 HydrophobicContact CD1-CD2 4.5Å; L93-L95 HydrophobicContact CD1-CG 4.09Å; L93-L95 HydrophobicContact CD2-CD1 3.74Å; L93-L95 HydrophobicContact CD2-CG 4.25Å; L93-L95 HydrophobicContact CG-CD1 4.01Å; L93-L95 HydrophobicContact CG-CG 3.97Å; L93-L109 HydrophobicContact CD2-CD1 4.38Å; L93-L109 HydrophobicContact CD2-CD2 3.92Å; L93-L115 HydrophobicContact CB-CD1 3.79Å; L93-S117 PolarHBondContact N-O 2.88Å; L93-L118 HydrophobicContact CB-CD1 4.22Å; L93-L118 HydrophobicContact CD2-CD1 4.14Å; L93-L118 HydrophobicContact CG-CD1 4.08Å; L93-L118 WeakPolarHBondContact O-CA 3.26Å; L93-D119 PolarHBondContact O-N 3.4Å
94N98.4Very high96.4Very high21 Ų2139.5 Ų39.511%0.11221%0.212CC..EExtended strand (participates in β ladder)trans-104.2119.9170.7-162.1-25.4000110.8L69 E70 L71 S72 S96 D119L69-N94 PolarHBondContact O-N 3.43Å; E70-N94 WeakPolarHBondContact OE2-CB 3.48Å; E70-N94 PolarHBondContact OE2-ND2 2.73Å; L71-N94 WeakPolarHBondContact CA-O 3.24Å; L71-N94 WeakPolarHBondContact CB-O 3.17Å; L71-N94 PolarHBondContact N-O 3.04Å; S72-N94 PolarHBondContact OG-ND2 2.95Å; S72-N94 PolarHBondContact OG-OD1 2.79Å; N94-S96 VanDerWaalsContact OD1-CB 3.24Å; N94-S96 WeakPolarHBondContact OD1-CB 3.42Å; N94-S96 PolarHBondContact OD1-N 3.32Å; N94-S96 PolarHBondContact OD1-OG 2.83Å; N94-D119 HydrophobicContact CB-CB 4.31Å; N94-D119 PolarHBondContact ND2-OD2 2.94Å; N94-D119 VanDerWaalsContact ND2-OD2 3.08Å; N94-D119 WeakPolarHBondContact OD1-CB 3.5Å; N94-D119 PolarHBondContact OD1-OD2 3.49Å
95L98.3Very high96.6Very high0 Ų039.8 Ų39.80%021%0.211CC..  trans-120.216176.6-75.1167.8000111.6L71 I76 L80 L93 N98 L100 L118 D119 L120 C123L71-L95 HydrophobicContact CB-CD2 4.06Å; L71-L95 HydrophobicContact CD1-CD2 3.95Å; I76-L95 HydrophobicContact CD1-CD2 4.32Å; L80-L95 HydrophobicContact CD1-CD1 4.14Å; L80-L95 HydrophobicContact CD2-CD1 4.27Å; L93-L95 HydrophobicContact CD1-CD1 4.47Å; L93-L95 HydrophobicContact CD1-CD2 4.5Å; L93-L95 HydrophobicContact CD1-CG 4.09Å; L93-L95 HydrophobicContact CD2-CD1 3.74Å; L93-L95 HydrophobicContact CD2-CG 4.25Å; L93-L95 HydrophobicContact CG-CD1 4.01Å; L93-L95 HydrophobicContact CG-CG 3.97Å; L95-N98 VanDerWaalsContact O-CB 3.28Å; L95-N98 WeakPolarHBondContact O-CB 3.37Å; L95-N98 PolarHBondContact O-N 2.82Å; L95-N98 PolarHBondContact O-ND2 2.92Å; L95-L100 HydrophobicContact CB-CD1 3.98Å; L95-L100 HydrophobicContact CD1-CD1 4Å; L95-L100 HydrophobicContact CG-CD1 4.47Å; L95-L118 HydrophobicContact CD1-CD1 4.23Å; L95-D119 CarbonylContact C-O 3.39Å; L95-D119 WeakPolarHBondContact CA-O 3.3Å; L95-D119 PolarHBondContact N-O 3.43Å; L95-L120 HydrophobicContact CB-CD2 3.89Å; L95-L120 HydrophobicContact CD1-CD2 4.34Å; L95-C123 PolarHBondContact O-SG 2.98Å
96S98.3Very high96.8Very high16 Ų1633.9 Ų33.911%0.11218%0.183CC..THydrogen-bonded Turntrans-55.2148.5179.456.30000113S72 D73 N94 N98 D119 F121S72-S96 CarbonylContact C-O 3.37Å; S72-S96 VanDerWaalsContact CA-O 3.22Å; S72-S96 WeakPolarHBondContact CA-O 3.43Å; S72-S96 WeakPolarHBondContact CB-OG 3.43Å; S72-S96 PolarHBondContact OG-OG 2.83Å; D73-S96 PolarHBondContact N-O 3.06Å; N94-S96 VanDerWaalsContact OD1-CB 3.24Å; N94-S96 WeakPolarHBondContact OD1-CB 3.42Å; N94-S96 PolarHBondContact OD1-N 3.32Å; N94-S96 PolarHBondContact OD1-OG 2.83Å; S96-N98 PolarHBondContact O-N 2.9Å; S96-N98 PolarHBondContact O-ND2 2.87Å; S96-D119 PolarHBondContact N-O 3.33Å; S96-F121 CarbonylContact C-O 3.13Å; S96-F121 WeakPolarHBondContact CA-O 3.33Å; S96-F121 WeakPolarHBondContact CB-O 3.24Å
97G97.8Very high96.8Very high18 Ų1836.5 Ų36.519%0.18620%0.196CC..THydrogen-bonded Turntrans65.618.2179.500000115.1N74 F121N74-G97 VanDerWaalsContact O-O 3.1Å; G97-F121 PolarHBondContact N-O 2.77Å
98N98.6Very high96.8Very high6 Ų638.1 Ų38.13%0.03221%0.207CC..SBendtrans-95.9178.5174.3-78.1-82.1000112.6L71 N74 R75 I76 L95 S96 L100L71-N98 PolarHBondContact O-ND2 3.31Å; N74-N98 WeakPolarHBondContact CA-OD1 3.42Å; N74-N98 WeakPolarHBondContact CB-OD1 3.3Å; R75-N98 PolarHBondContact N-OD1 2.99Å; I76-N98 HydrophobicContact CB-CB 4.41Å; I76-N98 VanDerWaalsContact CB-OD1 3.29Å; I76-N98 WeakPolarHBondContact CB-OD1 3.34Å; I76-N98 PolarHBondContact N-OD1 2.82Å; L95-N98 VanDerWaalsContact O-CB 3.28Å; L95-N98 WeakPolarHBondContact O-CB 3.37Å; L95-N98 PolarHBondContact O-N 2.82Å; L95-N98 PolarHBondContact O-ND2 2.92Å; S96-N98 PolarHBondContact O-N 2.9Å; S96-N98 PolarHBondContact O-ND2 2.87Å; N98-L100 HydrophobicContact CB-CG 4.4Å; N98-L100 PolarHBondContact O-N 3Å
99K97.3Very high96.8Very high105 Ų10535.7 Ų35.746%0.45719%0.191SC..  trans-99.541.6-174.9-63.3-170.3175.6-1670112.9R75 I76 S77R75-K99 HydrophobicContact CB-CD 4.42Å; I76-K99 CarbonylContact O-C 3.57Å; I76-K99 WeakPolarHBondContact O-CA 3.42Å; I76-K99 PolarHBondContact O-N 2.82Å; S77-K99 WeakPolarHBondContact CA-O 3.42Å; S77-K99 WeakPolarHBondContact CB-O 3.49Å
100L96.9Very high96.9Very high0 Ų036.6 Ų36.60%019%0.191CC..  trans-84114.4178-59.6170.5000108.9L80 L95 N98 T105 L106 L120 C123 E124 V125L80-L100 HydrophobicContact CD1-CD2 4.4Å; L95-L100 HydrophobicContact CB-CD1 3.98Å; L95-L100 HydrophobicContact CD1-CD1 4Å; L95-L100 HydrophobicContact CG-CD1 4.47Å; N98-L100 HydrophobicContact CB-CG 4.4Å; N98-L100 PolarHBondContact O-N 3Å; L100-T105 HydrophobicContact CD2-CG2 3.64Å; L100-L106 HydrophobicContact CD1-CD2 4.18Å; L100-L120 HydrophobicContact CD1-CD2 3.48Å; L100-L120 VanDerWaalsContact CD1-CD2 3.48Å; L100-C123 HydrophobicContact CB-CB 4.25Å; L100-E124 CarbonylContact O-C 3.31Å; L100-E124 PolarHBondContact O-N 3.21Å; L100-E124 VanDerWaalsContact O-N 3.12Å; L100-V125 HydrophobicContact CB-CG1 4.47Å; L100-V125 WeakPolarHBondContact O-CB 3.04Å; L100-V125 PolarHBondContact O-N 3.35Å
101K94.6Very high96.8Very high102 Ų10243.5 Ų43.544%0.44322%0.221SC..  trans-99.3-43.9-172.8-63.7178.8-178.3-86.10113.3E124 V125K101-E124 HydrophobicContact CB-CB 4.42Å; K101-E124 WeakPolarHBondContact CE-OE1 3.44Å; K101-E124 HydrophobicContact CG-CB 4.06Å; K101-E124 HydrophobicContact CG-CG 4.42Å; K101-E124 WeakPolarHBondContact CG-OE2 3.47Å; K101-E124 IonicContact NZ-OE1 2.7Å; K101-E124 PolarHBondContact NZ-OE1 2.77Å; K101-E124 IonicContact NZ-OE2 2.73Å; K101-E124 PolarHBondContact NZ-OE2 3.29Å; K101-V125 WeakPolarHBondContact O-CA 3.49Å
102D94.8Very high96.7Very high88 Ų8842.4 Ų42.447%0.47122%0.215SC..  trans-118144.5-168.6-57.4-67.1000111.4S104 T105D102-S104 PolarHBondContact O-N 3.17Å; D102-T105 VanDerWaalsContact O-CB 3.22Å; D102-T105 WeakPolarHBondContact O-CB 3.28Å; D102-T105 PolarHBondContact O-N 3.04Å; D102-T105 PolarHBondContact O-OG1 3Å; D102-T105 VanDerWaalsContact O-OG1 3.1Å
103I95.2Very high96.6Very high34 Ų3449 Ų4917%0.17425%0.245CC..G310 helixtrans-55.3-34.4174.4-61.8-68.5000111.6T105 L106 V125 L128 Y131 V135 L138I103-T105 PolarHBondContact O-N 2.9Å; I103-L106 WeakPolarHBondContact O-CB 3.45Å; I103-L106 PolarHBondContact O-N 2.77Å; I103-V125 HydrophobicContact CD1-CG2 3.56Å; I103-V125 HydrophobicContact CG1-CG2 4.12Å; I103-L128 HydrophobicContact CD1-CD1 4.34Å; I103-L128 HydrophobicContact CG1-CD1 3.83Å; I103-Y131 HydrophobicContact CD1-CD2 4.03Å; I103-V135 HydrophobicContact CD1-CG2 3.68Å; I103-L138 HydrophobicContact CG2-CD2 3.85Å; I103-L138 WeakPolarHBondContact O-CD2 3.21Å
104S94.6Very high96.4Very high68 Ų6852.4 Ų52.448%0.47626%0.264SS..G310 helixtrans-60.7-27.3177.4560000113.1D102 L106 E107D102-S104 PolarHBondContact O-N 3.17Å; S104-L106 PolarHBondContact O-N 3.38Å; S104-E107 VanDerWaalsContact O-CB 3.31Å; S104-E107 WeakPolarHBondContact O-CB 3.45Å; S104-E107 PolarHBondContact O-N 3.15Å; S104-E107 VanDerWaalsContact O-N 3.14Å
105T95Very high96.4Very high28 Ų2851.5 Ų51.517%0.17226%0.259CS..G310 helixtrans-64.6-24.5176.8-48.10000111.8S77 L100 D102 I103 P108S77-T105 WeakPolarHBondContact O-CG2 3.41Å; L100-T105 HydrophobicContact CD2-CG2 3.64Å; D102-T105 VanDerWaalsContact O-CB 3.22Å; D102-T105 WeakPolarHBondContact O-CB 3.28Å; D102-T105 PolarHBondContact O-N 3.04Å; D102-T105 PolarHBondContact O-OG1 3Å; D102-T105 VanDerWaalsContact O-OG1 3.1Å; I103-T105 PolarHBondContact O-N 2.9Å; T105-P108 WeakPolarHBondContact O-CD 3.29Å
106L96.6Very high96.4Very high0 Ų057.1 Ų57.10%028%0.283CS..G310 helixtrans-87.2-11.5179.7-52.6175.1000112.7L80 L100 I103 S104 P108 L109 L120 V135 L138L80-L106 HydrophobicContact CD1-CD2 4.21Å; L100-L106 HydrophobicContact CD1-CD2 4.18Å; I103-L106 WeakPolarHBondContact O-CB 3.45Å; I103-L106 PolarHBondContact O-N 2.77Å; S104-L106 PolarHBondContact O-N 3.38Å; L106-P108 VanDerWaalsContact C-N 3.29Å; L106-L109 HydrophobicContact CB-CD1 4.38Å; L106-L109 HydrophobicContact CD2-CD1 4.11Å; L106-L109 VanDerWaalsContact O-CB 3.25Å; L106-L109 WeakPolarHBondContact O-CB 3.5Å; L106-L109 WeakPolarHBondContact O-CG 3.33Å; L106-L109 PolarHBondContact O-N 3.22Å; L106-L120 HydrophobicContact CD1-CD1 3.61Å; L106-L120 HydrophobicContact CD2-CD1 4.09Å; L106-L120 HydrophobicContact CD2-CD2 3.98Å; L106-V135 HydrophobicContact CD1-CG2 3.89Å; L106-L138 HydrophobicContact CB-CD2 3.85Å
107E96.3Very high96.3Very high104 Ų10457.4 Ų57.449%0.48629%0.285SS..G310 helixtrans-50.5-39.8-179.9-82-178.5-177.700114.7S104 L109 K110 L138S104-E107 VanDerWaalsContact O-CB 3.31Å; S104-E107 WeakPolarHBondContact O-CB 3.45Å; S104-E107 PolarHBondContact O-N 3.15Å; S104-E107 VanDerWaalsContact O-N 3.14Å; E107-L109 PolarHBondContact O-N 2.75Å; E107-K110 VanDerWaalsContact O-CB 3.27Å; E107-K110 WeakPolarHBondContact O-CB 3.41Å; E107-K110 VanDerWaalsContact O-CG 3.28Å; E107-K110 WeakPolarHBondContact O-CG 3.47Å; E107-K110 PolarHBondContact O-N 3.3Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-L138 HydrophobicContact CG-CD1 3.91Å; E107-L138 HydrophobicContact CG-CD2 4.32Å
108P96.2Very high96.3Very high33 Ų3356.5 Ų56.521%0.21428%0.276CS..G310 helixtrans-61.6-25.7178.5-23.234.7000113.8L80 D81 T105 L106 K110 K111L80-P108 HydrophobicContact CB-CB 4.31Å; D81-P108 HydrophobicContact CB-CB 3.88Å; D81-P108 HydrophobicContact CB-CG 4.35Å; T105-P108 WeakPolarHBondContact O-CD 3.29Å; L106-P108 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 3.3Å; P108-K111 PolarHBondContact O-N 2.78Å
109L96.9Very high96.3Very high0 Ų058.1 Ų58.10%029%0.285CS..G310 helixtrans-65.8-18.4178.3-57.2-179.1000112.4L80 L83 L93 L106 E107 K111 L112 L115 L118 L139 Q141L80-L109 HydrophobicContact CB-CD2 3.89Å; L80-L109 HydrophobicContact CB-CG 4.41Å; L80-L109 HydrophobicContact CD1-CD1 4.06Å; L80-L109 HydrophobicContact CD1-CD2 4.03Å; L80-L109 HydrophobicContact CD1-CG 4Å; L80-L109 HydrophobicContact CG-CD2 4.49Å; L83-L109 HydrophobicContact CD1-CD2 3.97Å; L93-L109 HydrophobicContact CD2-CD1 4.38Å; L93-L109 HydrophobicContact CD2-CD2 3.92Å; L106-L109 HydrophobicContact CB-CD1 4.38Å; L106-L109 HydrophobicContact CD2-CD1 4.11Å; L106-L109 VanDerWaalsContact O-CB 3.25Å; L106-L109 WeakPolarHBondContact O-CB 3.5Å; L106-L109 WeakPolarHBondContact O-CG 3.33Å; L106-L109 PolarHBondContact O-N 3.22Å; E107-L109 PolarHBondContact O-N 2.75Å; L109-K111 PolarHBondContact O-N 2.89Å; L109-K111 VanDerWaalsContact O-N 3.07Å; L109-L112 HydrophobicContact CD2-CD1 3.78Å; L109-L112 WeakPolarHBondContact O-CB 3.34Å; L109-L112 PolarHBondContact O-N 3.38Å; L109-L115 HydrophobicContact CB-CD2 4.47Å; L109-L118 HydrophobicContact CD1-CD1 4.31Å; L109-L118 HydrophobicContact CD1-CD2 3.98Å; L109-L139 HydrophobicContact CB-CD1 4.2Å; L109-L139 HydrophobicContact CB-CD2 3.98Å; L109-L139 HydrophobicContact CD1-CD1 4.41Å; L109-Q141 PolarHBondContact O-NE2 2.81Å
110K96.2Very high96.3Very high93 Ų9353.1 Ų53.140%0.40426%0.263SS..G310 helixtrans-53.6-29.9172.7-72.2178.5-176.9174.10113.1E107 P108 L112 L138 L139 Q141E107-K110 VanDerWaalsContact O-CB 3.27Å; E107-K110 WeakPolarHBondContact O-CB 3.41Å; E107-K110 VanDerWaalsContact O-CG 3.28Å; E107-K110 WeakPolarHBondContact O-CG 3.47Å; E107-K110 PolarHBondContact O-N 3.3Å; E107-K110 VanDerWaalsContact O-N 3.12Å; P108-K110 PolarHBondContact O-N 3.3Å; K110-L112 VanDerWaalsContact C-N 3.27Å; K110-L112 PolarHBondContact O-N 2.79Å; K110-L138 WeakPolarHBondContact CE-O 3.47Å; K110-L138 WeakPolarHBondContact CG-O 3.35Å; K110-L138 VanDerWaalsContact NZ-CD1 3.26Å; K110-L139 HydrophobicContact CB-CD2 4.27Å; K110-L139 HydrophobicContact CG-CD2 3.61Å; K110-Q141 PolarHBondContact O-NE2 3.04Å
111K96.1Very high96.3Very high145 Ų14559.9 Ų59.963%0.6329%0.293SS*.G310 helixtrans-77.3-12.2-179-62.6177.8-177.7175.70113.2A84 P108 L109 E113A84-K111 HydrophobicContact CB-CB 3.49Å; A84-K111 VanDerWaalsContact CB-CB 3.49Å; A84-K111 HydrophobicContact CB-CD 4.22Å; P108-K111 PolarHBondContact O-N 2.78Å; L109-K111 PolarHBondContact O-N 2.89Å; L109-K111 VanDerWaalsContact O-N 3.07Å; K111-E113 PolarHBondContact O-N 2.84Å
112L96.6Very high96.4Very high2 Ų260.4 Ų60.41%0.0130%0.301CS..  trans-83.685.2172-65.1167.1000108L83 A84 L87 L90 L109 K110 N114 L115 Q141L83-L112 HydrophobicContact CB-CD1 4.19Å; A84-L112 HydrophobicContact CB-CD2 4.25Å; A84-L112 HydrophobicContact CB-CG 4.32Å; L87-L112 WeakPolarHBondContact O-CD2 3.23Å; L90-L112 HydrophobicContact CB-CD2 4.33Å; L90-L112 HydrophobicContact CD2-CD1 4.31Å; L109-L112 HydrophobicContact CD2-CD1 3.78Å; L109-L112 WeakPolarHBondContact O-CB 3.34Å; L109-L112 PolarHBondContact O-N 3.38Å; K110-L112 VanDerWaalsContact C-N 3.27Å; K110-L112 PolarHBondContact O-N 2.79Å; L112-N114 PolarHBondContact O-N 2.94Å; L112-L115 HydrophobicContact CB-CB 3.82Å; L112-L115 HydrophobicContact CD1-CD2 4.29Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 3.11Å; L112-Q141 PolarHBondContact O-NE2 3Å
113E95Very high96.5Very high161 Ų16156.3 Ų56.375%0.75228%0.279SS*.THydrogen-bonded Turntrans-63.6-27.3-174.9-62.9-178.5174.100112.6K111K111-E113 PolarHBondContact O-N 2.84Å
114N95.9Very high96.6Very high77 Ų7758.8 Ų58.841%0.41229%0.29SS..THydrogen-bonded Turntrans-90.9-0.8-179.4-64.5-49.8000114.1P88 L90 T91 L112 K116P88-N114 PolarHBondContact O-ND2 3.28Å; P88-N114 VanDerWaalsContact O-ND2 3.12Å; L90-N114 CarbonylContact O-C 3.47Å; L90-N114 VanDerWaalsContact O-C 3.3Å; T91-N114 WeakPolarHBondContact CA-O 3.22Å; T91-N114 HydrophobicContact CG2-CB 4.44Å; L112-N114 PolarHBondContact O-N 2.94Å; N114-K116 PolarHBondContact O-N 2.86Å
115L97.8Very high96.6Very high1 Ų155.6 Ų55.61%0.00527%0.267CS..  trans-71.1114.4-176.2-17271.6000110.6L90 L93 L109 L112 Q141 L142L90-L115 WeakPolarHBondContact O-CA 3.49Å; L90-L115 PolarHBondContact O-N 3.2Å; L93-L115 HydrophobicContact CB-CD1 3.79Å; L109-L115 HydrophobicContact CB-CD2 4.47Å; L112-L115 HydrophobicContact CB-CB 3.82Å; L112-L115 HydrophobicContact CD1-CD2 4.29Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 3.11Å; L115-Q141 WeakPolarHBondContact O-CG 3.39Å; L115-L142 HydrophobicContact CD2-CD1 4.4Å; L115-L142 HydrophobicContact CG-CD1 4.25Å
116K97Very high96.7Very high118 Ų11856.2 Ų56.251%0.51327%0.271SS..  trans-103.5-36.3-178.1-64.7-177.2-178.6-179.70112.8T91 N114 L142 T143 Y144T91-K116 PolarHBondContact O-N 3.48Å; N114-K116 PolarHBondContact O-N 2.86Å; K116-L142 WeakPolarHBondContact O-CD1 3.45Å; K116-T143 WeakPolarHBondContact O-CA 3.39Å; K116-T143 PolarHBondContact O-N 3.33Å; K116-Y144 PolarHBondContact O-N 3.49Å
117S97.5Very high96.6Very high22 Ų2262.6 Ų62.615%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-128.6131.4-175.8-173.50000111.5T91 H92 L93 Y144T91-S117 PolarHBondContact O-N 3.26Å; H92-S117 WeakPolarHBondContact CD2-CB 3.34Å; L93-S117 PolarHBondContact N-O 2.88Å; S117-Y144 WeakPolarHBondContact CA-O 3.39Å
118L98.2Very high96.5Very high0 Ų061.1 Ų61.10%030%0.3CS..EExtended strand (participates in β ladder)trans-134.4127179.5175.661000109.1L93 L95 L109 L120 L139 L142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.22Å; L93-L118 HydrophobicContact CD2-CD1 4.14Å; L93-L118 HydrophobicContact CG-CD1 4.08Å; L93-L118 WeakPolarHBondContact O-CA 3.26Å; L95-L118 HydrophobicContact CD1-CD1 4.23Å; L109-L118 HydrophobicContact CD1-CD1 4.31Å; L109-L118 HydrophobicContact CD1-CD2 3.98Å; L118-L120 HydrophobicContact CD1-CD2 4.31Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.11Å; L118-L120 HydrophobicContact CG-CG 3.95Å; L118-L139 HydrophobicContact CD2-CD1 3.8Å; L118-L142 HydrophobicContact CB-CD1 3.59Å; L118-L142 HydrophobicContact CB-CD2 3.98Å; L118-L142 HydrophobicContact CB-CG 4.44Å; L118-L142 HydrophobicContact CD2-CD2 4.5Å; L118-Y144 PolarHBondContact N-O 3.17Å; L118-L145 HydrophobicContact CB-CD1 4.32Å; L118-L145 HydrophobicContact CD2-CD1 4.34Å; L118-L145 HydrophobicContact CG-CD1 4.25Å; L118-L145 CarbonylContact O-C 3.3Å; L118-L145 VanDerWaalsContact O-CA 3.32Å; L118-L145 WeakPolarHBondContact O-CA 3.43Å; L118-D146 PolarHBondContact O-N 2.85Å
119D98.1Very high96.4Very high40 Ų4066.5 Ų66.521%0.21433%0.327CS..EExtended strand (participates in β ladder)trans-112.9124.4173.4-178-0.9000109.4L93 N94 L95 S96 F121L93-D119 PolarHBondContact O-N 3.4Å; N94-D119 HydrophobicContact CB-CB 4.31Å; N94-D119 PolarHBondContact ND2-OD2 2.94Å; N94-D119 VanDerWaalsContact ND2-OD2 3.08Å; N94-D119 WeakPolarHBondContact OD1-CB 3.5Å; N94-D119 PolarHBondContact OD1-OD2 3.49Å; L95-D119 CarbonylContact C-O 3.39Å; L95-D119 WeakPolarHBondContact CA-O 3.3Å; L95-D119 PolarHBondContact N-O 3.43Å; S96-D119 PolarHBondContact N-O 3.33Å; D119-F121 VanDerWaalsContact OD1-CB 3.24Å; D119-F121 WeakPolarHBondContact OD1-CB 3.49Å; D119-F121 PolarHBondContact OD1-N 3.03Å
120L97.8Very high96.3Very high0 Ų072 Ų720%036%0.357CS..  trans-125.614.4179.8-69.3169.4000111L95 L100 L106 L118 N122 C123 V125 T126 Y131 L145 D146L95-L120 HydrophobicContact CB-CD2 3.89Å; L95-L120 HydrophobicContact CD1-CD2 4.34Å; L100-L120 HydrophobicContact CD1-CD2 3.48Å; L100-L120 VanDerWaalsContact CD1-CD2 3.48Å; L106-L120 HydrophobicContact CD1-CD1 3.61Å; L106-L120 HydrophobicContact CD2-CD1 4.09Å; L106-L120 HydrophobicContact CD2-CD2 3.98Å; L118-L120 HydrophobicContact CD1-CD2 4.31Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.17Å; L118-L120 HydrophobicContact CG-CD1 4.11Å; L118-L120 HydrophobicContact CG-CG 3.95Å; L120-N122 PolarHBondContact O-N 2.88Å; L120-C123 WeakPolarHBondContact O-CB 3.16Å; L120-C123 PolarHBondContact O-N 3.5Å; L120-C123 VanDerWaalsContact O-N 3.11Å; L120-C123 PolarHBondContact O-SG 3.04Å; L120-C123 VanDerWaalsContact O-SG 3.33Å; L120-V125 HydrophobicContact CD1-CG1 4.43Å; L120-T126 HydrophobicContact CB-CG2 4.41Å; L120-T126 WeakPolarHBondContact O-CG2 3.31Å; L120-Y131 VanDerWaalsContact CB-OH 3.3Å; L120-Y131 WeakPolarHBondContact CB-OH 3.24Å; L120-Y131 HydrophobicContact CD1-CE2 4.12Å; L120-Y131 VanDerWaalsContact CD1-OH 3.26Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.22Å; L120-L145 HydrophobicContact CD1-CD1 4.25Å; L120-D146 PolarHBondContact N-OD1 3.39Å
121F95.9Very high96.2Very high141 Ų14168.3 Ų68.362%0.61834%0.34SS*.THydrogen-bonded Turntrans-51.3142.1-179-171.5-101.7000111.3S96 G97 D119 C123 D146S96-F121 CarbonylContact C-O 3.13Å; S96-F121 WeakPolarHBondContact CA-O 3.33Å; S96-F121 WeakPolarHBondContact CB-O 3.24Å; G97-F121 PolarHBondContact N-O 2.77Å; D119-F121 VanDerWaalsContact OD1-CB 3.24Å; D119-F121 WeakPolarHBondContact OD1-CB 3.49Å; D119-F121 PolarHBondContact OD1-N 3.03Å; F121-C123 PolarHBondContact O-N 3.47Å; F121-D146 PolarHBondContact N-OD1 3.42Å
122N96.3Very high96.2Very high113 Ų11364.2 Ų64.260%0.60432%0.321SS*.THydrogen-bonded Turntrans58.628-178.9-165.236.9000114.6L120L120-N122 PolarHBondContact O-N 2.88Å
123C97.5Very high96.1Very high3 Ų370.6 Ų70.62%0.0235%0.351CS..SBendtrans-97.3157.1164.3-67.80000111L95 L100 L120 F121 V125 T126L95-C123 PolarHBondContact O-SG 2.98Å; L100-C123 HydrophobicContact CB-CB 4.25Å; L120-C123 WeakPolarHBondContact O-CB 3.16Å; L120-C123 PolarHBondContact O-N 3.5Å; L120-C123 VanDerWaalsContact O-N 3.11Å; L120-C123 PolarHBondContact O-SG 3.04Å; L120-C123 VanDerWaalsContact O-SG 3.33Å; F121-C123 PolarHBondContact O-N 3.47Å; C123-V125 HydrophobicContact CB-CG1 3.87Å; C123-V125 PolarHBondContact O-N 2.82Å; C123-T126 PolarHBondContact O-N 3.46Å; C123-T126 PolarHBondContact O-OG1 3.21Å
124E96.1Very high96.2Very high86 Ų8665 Ų6540%0.40233%0.329SS..G310 helixtrans-63.4-29.5178.7-68.9-179.8-123.600112.7L100 K101 T126 N127L100-E124 CarbonylContact O-C 3.31Å; L100-E124 PolarHBondContact O-N 3.21Å; L100-E124 VanDerWaalsContact O-N 3.12Å; K101-E124 HydrophobicContact CB-CB 4.42Å; K101-E124 WeakPolarHBondContact CE-OE1 3.44Å; K101-E124 HydrophobicContact CG-CB 4.06Å; K101-E124 HydrophobicContact CG-CG 4.42Å; K101-E124 WeakPolarHBondContact CG-OE2 3.47Å; K101-E124 IonicContact NZ-OE1 2.7Å; K101-E124 PolarHBondContact NZ-OE1 2.77Å; K101-E124 IonicContact NZ-OE2 2.73Å; K101-E124 PolarHBondContact NZ-OE2 3.29Å; E124-T126 PolarHBondContact O-N 3.02Å; E124-N127 WeakPolarHBondContact O-CB 3.37Å; E124-N127 PolarHBondContact O-N 3.33Å; E124-N127 PolarHBondContact O-ND2 3.12Å
125V96.3Very high96.3Very high0 Ų061.3 Ų61.30%031%0.31CS..G310 helixtrans-61-27178.571.70000113.4L100 K101 I103 L120 C123 N127 L128 Y131L100-V125 HydrophobicContact CB-CG1 4.47Å; L100-V125 WeakPolarHBondContact O-CB 3.04Å; L100-V125 PolarHBondContact O-N 3.35Å; K101-V125 WeakPolarHBondContact O-CA 3.49Å; I103-V125 HydrophobicContact CD1-CG2 3.56Å; I103-V125 HydrophobicContact CG1-CG2 4.12Å; L120-V125 HydrophobicContact CD1-CG1 4.43Å; C123-V125 HydrophobicContact CB-CG1 3.87Å; C123-V125 PolarHBondContact O-N 2.82Å; V125-N127 PolarHBondContact O-N 3.27Å; V125-L128 HydrophobicContact CG2-CD1 3.84Å; V125-L128 WeakPolarHBondContact O-CB 3.45Å; V125-L128 WeakPolarHBondContact O-CG 3.4Å; V125-L128 PolarHBondContact O-N 3.19Å; V125-Y131 HydrophobicContact CG1-CD2 4.44Å; V125-Y131 HydrophobicContact CG1-CE2 3.93Å; V125-Y131 HydrophobicContact CG2-CD2 4.13Å; V125-Y131 HydrophobicContact CG2-CE2 4.23Å; V125-Y131 VanDerWaalsContact O-CD2 3.3Å; V125-Y131 WeakPolarHBondContact O-CD2 3.22Å
126T95.6Very high96.2Very high41 Ų4162 Ų6225%0.25231%0.312SS..G310 helixtrans-71.4-15.4-179.666.80000112.4L120 C123 E124 L128 Y131L120-T126 HydrophobicContact CB-CG2 4.41Å; L120-T126 WeakPolarHBondContact O-CG2 3.31Å; C123-T126 PolarHBondContact O-N 3.46Å; C123-T126 PolarHBondContact O-OG1 3.21Å; E124-T126 PolarHBondContact O-N 3.02Å; T126-L128 VanDerWaalsContact C-N 3.29Å; T126-Y131 HydrophobicContact CG2-CE1 4.14Å; T126-Y131 HydrophobicContact CG2-CE2 4.32Å
127N95.4Very high96.2Very high134 Ų13464.8 Ų64.872%0.71733%0.325SS*.G310 helixtrans-83.6-4.6177-60.6-43.6000113.1E124 V125E124-N127 WeakPolarHBondContact O-CB 3.37Å; E124-N127 PolarHBondContact O-N 3.33Å; E124-N127 PolarHBondContact O-ND2 3.12Å; V125-N127 PolarHBondContact O-N 3.27Å
128L94.5Very high96.2Very high73 Ų7364.8 Ų64.838%0.38232%0.323SS..SBendtrans-73.7143.5177.7-60.8177.2000110.4I103 V125 T126 Y131I103-L128 HydrophobicContact CD1-CD1 4.34Å; I103-L128 HydrophobicContact CG1-CD1 3.83Å; V125-L128 HydrophobicContact CG2-CD1 3.84Å; V125-L128 WeakPolarHBondContact O-CB 3.45Å; V125-L128 WeakPolarHBondContact O-CG 3.4Å; V125-L128 PolarHBondContact O-N 3.19Å; T126-L128 VanDerWaalsContact C-N 3.29Å; L128-Y131 VanDerWaalsContact O-CB 3.28Å; L128-Y131 WeakPolarHBondContact O-CB 3.33Å; L128-Y131 PolarHBondContact O-N 3.38Å
129N93.8Very high96.1Very high147 Ų14764.8 Ų64.879%0.78632%0.323SS*.THydrogen-bonded Turntrans-62.2144170.6-62.1-36.1000109.6Y131N129-Y131 PolarHBondContact O-N 3.38Å; N129-Y131 VanDerWaalsContact O-N 3.1Å
130D93.9Very high96Very high115 Ų11568 Ų6862%0.61535%0.346SS*.THydrogen-bonded Turntrans55.128.1179.7-46.5-42.1000113R132 E133 S134D130-R132 PolarHBondContact O-N 2.92Å; D130-E133 PolarHBondContact O-N 3.4Å; D130-S134 VanDerWaalsContact O-CB 3.22Å; D130-S134 WeakPolarHBondContact O-CB 3.46Å; D130-S134 PolarHBondContact O-N 3.19Å; D130-S134 PolarHBondContact O-OG 3.34Å
131Y95.1Very high95.9Very high16 Ų1670.2 Ų70.26%0.06336%0.356CS..Hα-helixtrans-51-55.4-178.4156.1-105.1000112I103 L120 V125 T126 L128 N129 E133 S134 V135 L145 D146I103-Y131 HydrophobicContact CD1-CD2 4.03Å; L120-Y131 VanDerWaalsContact CB-OH 3.3Å; L120-Y131 WeakPolarHBondContact CB-OH 3.24Å; L120-Y131 HydrophobicContact CD1-CE2 4.12Å; L120-Y131 VanDerWaalsContact CD1-OH 3.26Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.22Å; V125-Y131 HydrophobicContact CG1-CD2 4.44Å; V125-Y131 HydrophobicContact CG1-CE2 3.93Å; V125-Y131 HydrophobicContact CG2-CD2 4.13Å; V125-Y131 HydrophobicContact CG2-CE2 4.23Å; V125-Y131 VanDerWaalsContact O-CD2 3.3Å; V125-Y131 WeakPolarHBondContact O-CD2 3.22Å; T126-Y131 HydrophobicContact CG2-CE1 4.14Å; T126-Y131 HydrophobicContact CG2-CE2 4.32Å; L128-Y131 VanDerWaalsContact O-CB 3.28Å; L128-Y131 WeakPolarHBondContact O-CB 3.33Å; L128-Y131 PolarHBondContact O-N 3.38Å; N129-Y131 PolarHBondContact O-N 3.38Å; N129-Y131 VanDerWaalsContact O-N 3.1Å; Y131-E133 PolarHBondContact O-N 2.88Å; Y131-S134 PolarHBondContact O-N 2.96Å; Y131-V135 HydrophobicContact CD2-CG2 3.83Å; Y131-V135 HydrophobicContact CE2-CG2 3.46Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.46Å; Y131-V135 WeakPolarHBondContact O-CG2 3.43Å; Y131-V135 PolarHBondContact O-N 3.25Å; Y131-L145 HydrophobicContact CE1-CD2 3.98Å; Y131-L145 HydrophobicContact CE1-CG 4.47Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.37Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.49Å; Y131-D146 PolarHBondContact OH-OD2 3.21Å
132R95.4Very high96Very high59 Ų5964 Ų6422%0.22333%0.33CS..Hα-helixtrans-59.7-51.3-178-68.2-175.865.873.22.2111.5D130 S134 V135 F136 L145 Y148 D149 D152D130-R132 PolarHBondContact O-N 2.92Å; R132-S134 VanDerWaalsContact C-N 3.3Å; R132-S134 PolarHBondContact O-N 3.49Å; R132-V135 PolarHBondContact O-N 3.27Å; R132-F136 VanDerWaalsContact O-CD2 3.22Å; R132-F136 WeakPolarHBondContact O-CD2 3.28Å; R132-F136 PolarHBondContact O-N 3.18Å; R132-L145 HydrophobicContact CB-CD2 4.24Å; R132-L145 HydrophobicContact CG-CD2 4.12Å; R132-L145 PolarHBondContact NH1-O 2.82Å; R132-L145 PolarHBondContact NH2-O 3.26Å; R132-Y148 PolarHBondContact NH2-O 3.37Å; R132-D149 PolarHBondContact NH2-O 3.28Å; R132-D152 IonicContact NE-OD1 2.81Å
133E95.6Very high95.9Very high135 Ų13561.8 Ų61.863%0.63132%0.32SS*.Hα-helixtrans-60-42179.6-171.2-177.3169.200111.4D130 Y131 K137D130-E133 PolarHBondContact O-N 3.4Å; Y131-E133 PolarHBondContact O-N 2.88Å; E133-K137 WeakPolarHBondContact O-CB 3.36Å; E133-K137 PolarHBondContact O-N 3.07Å
134S96.8Very high95.9Very high44 Ų4463.5 Ų63.531%0.30833%0.326SS..Hα-helixtrans-63.6-42.3177.7-63.10000112D130 Y131 R132 L138D130-S134 VanDerWaalsContact O-CB 3.22Å; D130-S134 WeakPolarHBondContact O-CB 3.46Å; D130-S134 PolarHBondContact O-N 3.19Å; D130-S134 PolarHBondContact O-OG 3.34Å; Y131-S134 PolarHBondContact O-N 2.96Å; R132-S134 VanDerWaalsContact C-N 3.3Å; R132-S134 PolarHBondContact O-N 3.49Å; S134-L138 VanDerWaalsContact O-CB 3.23Å; S134-L138 WeakPolarHBondContact O-CB 3.3Å; S134-L138 PolarHBondContact O-N 3.33Å
135V97Very high96Very high0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-67.7-47.4177.3173.10000111.2I103 L106 Y131 R132 K137 L138 L139 L142 L145I103-V135 HydrophobicContact CD1-CG2 3.68Å; L106-V135 HydrophobicContact CD1-CG2 3.89Å; Y131-V135 HydrophobicContact CD2-CG2 3.83Å; Y131-V135 HydrophobicContact CE2-CG2 3.46Å; Y131-V135 VanDerWaalsContact CE2-CG2 3.46Å; Y131-V135 WeakPolarHBondContact O-CG2 3.43Å; Y131-V135 PolarHBondContact O-N 3.25Å; R132-V135 PolarHBondContact O-N 3.27Å; V135-K137 VanDerWaalsContact C-N 3.31Å; V135-K137 PolarHBondContact O-N 3.31Å; V135-L138 CarbonylContact O-C 3.54Å; V135-L138 WeakPolarHBondContact O-CA 3.36Å; V135-L138 WeakPolarHBondContact O-CB 3.48Å; V135-L138 PolarHBondContact O-N 3.25Å; V135-L139 HydrophobicContact CG1-CD1 4.17Å; V135-L139 PolarHBondContact O-N 2.83Å; V135-L142 HydrophobicContact CG1-CD2 4.23Å; V135-L145 HydrophobicContact CB-CD2 3.78Å; V135-L145 HydrophobicContact CG1-CD1 3.87Å; V135-L145 HydrophobicContact CG1-CD2 3.76Å; V135-L145 HydrophobicContact CG1-CG 4.45Å; V135-L145 HydrophobicContact CG2-CD2 4.39Å
136F96.8Very high96Very high14 Ų1461 Ų616%0.06132%0.316CS..Hα-helixtrans-62.8-37.6177.1-80.2-64.6000112.5R132 L138 L139 L142 L145 M150R132-F136 VanDerWaalsContact O-CD2 3.22Å; R132-F136 WeakPolarHBondContact O-CD2 3.28Å; R132-F136 PolarHBondContact O-N 3.18Å; F136-L138 VanDerWaalsContact C-N 3.29Å; F136-L138 PolarHBondContact O-N 2.85Å; F136-L139 CarbonylContact O-C 3.56Å; F136-L139 VanDerWaalsContact O-C 3.31Å; F136-L139 PolarHBondContact O-N 3.12Å; F136-L142 HydrophobicContact CD1-CB 4.45Å; F136-L142 HydrophobicContact CD1-CD2 4.49Å; F136-L142 HydrophobicContact CE1-CB 4.49Å; F136-L142 HydrophobicContact CE1-CD2 4.24Å; F136-L142 HydrophobicContact CE1-CG 4.42Å; F136-L145 HydrophobicContact CD2-CD2 4.41Å; F136-L145 HydrophobicContact CE1-CB 4.28Å; F136-L145 HydrophobicContact CE2-CB 3.89Å; F136-L145 HydrophobicContact CE2-CD2 4.13Å; F136-L145 HydrophobicContact CZ-CB 3.6Å; F136-M150 HydrophobicContact CB-CE 3.84Å; F136-M150 HydrophobicContact CD1-CE 4.1Å; F136-M150 HydrophobicContact CD2-CG 4.47Å; F136-M150 HydrophobicContact CE2-CB 4.42Å; F136-M150 HydrophobicContact CG-CE 3.97Å; F136-M150 HydrophobicContact CZ-CB 4.49Å
137K96.9Very high95.9Very high177 Ų17760.5 Ų60.577%0.7732%0.318SS*.Hα-helixtrans-66-34.3173.2-177177.4-179.6178.10112.1E133 V135E133-K137 WeakPolarHBondContact O-CB 3.36Å; E133-K137 PolarHBondContact O-N 3.07Å; V135-K137 VanDerWaalsContact C-N 3.31Å; V135-K137 PolarHBondContact O-N 3.31Å
138L97.3Very high95.9Very high22 Ų2258.9 Ų58.912%0.11530%0.303CS..Hα-helixtrans-72.6-43.5177.3-168.476.4000111.5I103 L106 E107 K110 S134 V135 F136 P140I103-L138 HydrophobicContact CG2-CD2 3.85Å; I103-L138 WeakPolarHBondContact O-CD2 3.21Å; L106-L138 HydrophobicContact CB-CD2 3.85Å; E107-L138 HydrophobicContact CG-CD1 3.91Å; E107-L138 HydrophobicContact CG-CD2 4.32Å; K110-L138 WeakPolarHBondContact CE-O 3.47Å; K110-L138 WeakPolarHBondContact CG-O 3.35Å; K110-L138 VanDerWaalsContact NZ-CD1 3.26Å; S134-L138 VanDerWaalsContact O-CB 3.23Å; S134-L138 WeakPolarHBondContact O-CB 3.3Å; S134-L138 PolarHBondContact O-N 3.33Å; V135-L138 CarbonylContact O-C 3.54Å; V135-L138 WeakPolarHBondContact O-CA 3.36Å; V135-L138 WeakPolarHBondContact O-CB 3.48Å; V135-L138 PolarHBondContact O-N 3.25Å; F136-L138 VanDerWaalsContact C-N 3.29Å; F136-L138 PolarHBondContact O-N 2.85Å; L138-P140 VanDerWaalsContact C-CD 3.47Å; L138-P140 VanDerWaalsContact O-CD 3.24Å; L138-P140 WeakPolarHBondContact O-CD 3.25Å
139L96.9Very high95.9Very high0 Ų056.1 Ų56.10%029%0.288CS..  trans-118.174.3-173.1-55.8179.3000109.3L109 K110 L118 V135 F136 Q141 L142L109-L139 HydrophobicContact CB-CD1 4.2Å; L109-L139 HydrophobicContact CB-CD2 3.98Å; L109-L139 HydrophobicContact CD1-CD1 4.41Å; K110-L139 HydrophobicContact CB-CD2 4.27Å; K110-L139 HydrophobicContact CG-CD2 3.61Å; L118-L139 HydrophobicContact CD2-CD1 3.8Å; V135-L139 HydrophobicContact CG1-CD1 4.17Å; V135-L139 PolarHBondContact O-N 2.83Å; F136-L139 CarbonylContact O-C 3.56Å; F136-L139 VanDerWaalsContact O-C 3.31Å; F136-L139 PolarHBondContact O-N 3.12Å; L139-Q141 VanDerWaalsContact C-OE1 3.3Å; L139-Q141 PolarHBondContact O-N 3.07Å; L139-Q141 VanDerWaalsContact O-N 3.17Å; L139-L142 HydrophobicContact CB-CB 4.12Å; L139-L142 WeakPolarHBondContact O-CB 3.35Å; L139-L142 PolarHBondContact O-N 3.48Å
140P95.6Very high95.8Very high107 Ų10755.7 Ų55.770%0.69528%0.284SS*.THydrogen-bonded Turntrans-67.4-14.6-17628.9-37.1000113.8L138 L142L138-P140 VanDerWaalsContact C-CD 3.47Å; L138-P140 VanDerWaalsContact O-CD 3.24Å; L138-P140 WeakPolarHBondContact O-CD 3.25Å; P140-L142 VanDerWaalsContact C-N 3.26Å
141Q95.7Very high95.7Very high48 Ų4856.6 Ų56.622%0.22428%0.284CS..THydrogen-bonded Turntrans-73.9-17.7172.167.3-95.153.400113.3L109 K110 L112 L115 L139L109-Q141 PolarHBondContact O-NE2 2.81Å; K110-Q141 PolarHBondContact O-NE2 3.04Å; L112-Q141 PolarHBondContact O-NE2 3Å; L115-Q141 WeakPolarHBondContact O-CG 3.39Å; L139-Q141 VanDerWaalsContact C-OE1 3.3Å; L139-Q141 PolarHBondContact O-N 3.07Å; L139-Q141 VanDerWaalsContact O-N 3.17Å
142L96.7Very high95.6Very high11 Ų1161.4 Ų61.46%0.05831%0.311CS..  trans-74.6130.8-173.2-165.273.8000110.3L115 K116 L118 V135 F136 L139 P140 Y144 L145L115-L142 HydrophobicContact CD2-CD1 4.4Å; L115-L142 HydrophobicContact CG-CD1 4.25Å; K116-L142 WeakPolarHBondContact O-CD1 3.45Å; L118-L142 HydrophobicContact CB-CD1 3.59Å; L118-L142 HydrophobicContact CB-CD2 3.98Å; L118-L142 HydrophobicContact CB-CG 4.44Å; L118-L142 HydrophobicContact CD2-CD2 4.5Å; V135-L142 HydrophobicContact CG1-CD2 4.23Å; F136-L142 HydrophobicContact CD1-CB 4.45Å; F136-L142 HydrophobicContact CD1-CD2 4.49Å; F136-L142 HydrophobicContact CE1-CB 4.49Å; F136-L142 HydrophobicContact CE1-CD2 4.24Å; F136-L142 HydrophobicContact CE1-CG 4.42Å; L139-L142 HydrophobicContact CB-CB 4.12Å; L139-L142 WeakPolarHBondContact O-CB 3.35Å; L139-L142 PolarHBondContact O-N 3.48Å; P140-L142 VanDerWaalsContact C-N 3.26Å; L142-Y144 WeakPolarHBondContact CD1-O 3.22Å; L142-Y144 WeakPolarHBondContact CD2-O 3.33Å; L142-Y144 WeakPolarHBondContact CG-O 3.38Å; L142-L145 HydrophobicContact CD2-CB 3.95Å; L142-L145 HydrophobicContact CD2-CD1 3.98Å; L142-L145 HydrophobicContact CD2-CG 4.49Å
143T96.1Very high95.4Very high65 Ų6565.4 Ų65.440%0.39933%0.326SS..  trans-95.2-44.3175.6-53.50000110.6K116 D149K116-T143 WeakPolarHBondContact O-CA 3.39Å; K116-T143 PolarHBondContact O-N 3.33Å; T143-D149 WeakPolarHBondContact O-CA 3.23Å; T143-D149 WeakPolarHBondContact O-CB 3.05Å
144Y97Very high95.2Very high39 Ų3966 Ų6615%0.15333%0.329CS..EExtended strand (participates in β ladder)trans-123.2133.3-175.1-59.4-65.8000111.3K116 S117 L118 L142 D149 A155 D159K116-Y144 PolarHBondContact O-N 3.49Å; S117-Y144 WeakPolarHBondContact CA-O 3.39Å; L118-Y144 PolarHBondContact N-O 3.17Å; L142-Y144 WeakPolarHBondContact CD1-O 3.22Å; L142-Y144 WeakPolarHBondContact CD2-O 3.33Å; L142-Y144 WeakPolarHBondContact CG-O 3.38Å; Y144-D149 HydrophobicContact CD1-CB 3.92Å; Y144-D149 HydrophobicContact CE1-CB 3.93Å; Y144-A155 HydrophobicContact CD1-CB 3.67Å; Y144-A155 HydrophobicContact CD2-CB 4.06Å; Y144-A155 HydrophobicContact CE1-CB 3.72Å; Y144-A155 HydrophobicContact CE2-CB 4.09Å; Y144-A155 HydrophobicContact CG-CB 3.85Å; Y144-D159 HydrophobicContact CE2-CB 4.06Å; Y144-D159 PolarHBondContact OH-OD2 3.2Å
145L97.5Very high94.7Very high0 Ų065.3 Ų65.30%033%0.325CS..EExtended strand (participates in β ladder)trans-125.3124.1173.7-177.563.3000108.8L118 L120 Y131 R132 V135 F136 L142 G147 Y148L118-L145 HydrophobicContact CB-CD1 4.32Å; L118-L145 HydrophobicContact CD2-CD1 4.34Å; L118-L145 HydrophobicContact CG-CD1 4.25Å; L118-L145 CarbonylContact O-C 3.3Å; L118-L145 VanDerWaalsContact O-CA 3.32Å; L118-L145 WeakPolarHBondContact O-CA 3.43Å; L120-L145 HydrophobicContact CD1-CD1 4.25Å; Y131-L145 HydrophobicContact CE1-CD2 3.98Å; Y131-L145 HydrophobicContact CE1-CG 4.47Å; Y131-L145 WeakPolarHBondContact OH-CD1 3.37Å; R132-L145 HydrophobicContact CB-CD2 4.24Å; R132-L145 HydrophobicContact CG-CD2 4.12Å; R132-L145 PolarHBondContact NH1-O 2.82Å; R132-L145 PolarHBondContact NH2-O 3.26Å; V135-L145 HydrophobicContact CB-CD2 3.78Å; V135-L145 HydrophobicContact CG1-CD1 3.87Å; V135-L145 HydrophobicContact CG1-CD2 3.76Å; V135-L145 HydrophobicContact CG1-CG 4.45Å; V135-L145 HydrophobicContact CG2-CD2 4.39Å; F136-L145 HydrophobicContact CD2-CD2 4.41Å; F136-L145 HydrophobicContact CE1-CB 4.28Å; F136-L145 HydrophobicContact CE2-CB 3.89Å; F136-L145 HydrophobicContact CE2-CD2 4.13Å; F136-L145 HydrophobicContact CZ-CB 3.6Å; L142-L145 HydrophobicContact CD2-CB 3.95Å; L142-L145 HydrophobicContact CD2-CD1 3.98Å; L142-L145 HydrophobicContact CD2-CG 4.49Å; L145-G147 PolarHBondContact O-N 2.9Å; L145-G147 VanDerWaalsContact O-N 3.17Å; L145-Y148 PolarHBondContact N-O 2.92Å; L145-Y148 PolarHBondContact O-N 3.49Å
146D96.3Very high93.9Very high35 Ų3568.7 Ų68.719%0.18735%0.349CS..THydrogen-bonded Turntrans52.433.6-177.7-50.5-41.4000113.2L118 L120 F121 Y131 Y148L118-D146 PolarHBondContact O-N 2.85Å; L120-D146 PolarHBondContact N-OD1 3.39Å; F121-D146 PolarHBondContact N-OD1 3.42Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.49Å; Y131-D146 PolarHBondContact OH-OD2 3.21Å; D146-Y148 VanDerWaalsContact O-CD2 3.23Å; D146-Y148 WeakPolarHBondContact O-CD2 3.17Å
147G93.8Very high92.1Very high29 Ų2975.4 Ų75.430%0.29939%0.386SS..THydrogen-bonded Turntrans85.70.7-178.700000115.8L145 E154 A155L145-G147 PolarHBondContact O-N 2.9Å; L145-G147 VanDerWaalsContact O-N 3.17Å; G147-E154 CarbonylContact O-C 3.42Å; G147-E154 WeakPolarHBondContact O-CA 3.27Å; G147-A155 PolarHBondContact O-N 3.02Å
148Y95.1Very high90.1Very high100 Ų10070.9 Ų70.939%0.39238%0.376SS..BIsolated β-bridgetrans-126.9145.7-179-59.7-95.6000112.2R132 L145 D146 R153 E154R132-Y148 PolarHBondContact NH2-O 3.37Å; L145-Y148 PolarHBondContact N-O 2.92Å; L145-Y148 PolarHBondContact O-N 3.49Å; D146-Y148 VanDerWaalsContact O-CD2 3.23Å; D146-Y148 WeakPolarHBondContact O-CD2 3.17Å; Y148-R153 CarbonylContact C-O 3.59Å; Y148-R153 VanDerWaalsContact CA-O 3.25Å; Y148-R153 WeakPolarHBondContact CA-O 3.28Å; Y148-E154 HydrophobicContact CD1-CB 4.26Å; Y148-E154 HydrophobicContact CE1-CB 4.07Å; Y148-E154 HydrophobicContact CE1-CG 4.47Å
149D94.8Very high88.2Confident15 Ų1573.5 Ų73.58%0.0839%0.39CS..  trans-78.4-173.5173.175.73000113R132 T143 Y144 E151 D152 R153R132-D149 PolarHBondContact NH2-O 3.28Å; T143-D149 WeakPolarHBondContact O-CA 3.23Å; T143-D149 WeakPolarHBondContact O-CB 3.05Å; Y144-D149 HydrophobicContact CD1-CB 3.92Å; Y144-D149 HydrophobicContact CE1-CB 3.93Å; D149-E151 PolarHBondContact O-N 2.95Å; D149-E151 VanDerWaalsContact OD1-C 3.24Å; D149-E151 VanDerWaalsContact OD1-CA 3.29Å; D149-E151 WeakPolarHBondContact OD1-CA 3.32Å; D149-E151 PolarHBondContact OD1-N 2.78Å; D149-D152 PolarHBondContact O-N 3.46Å; D149-D152 PolarHBondContact OD1-N 3.06Å; D149-R153 PolarHBondContact N-O 3.07Å; D149-R153 PolarHBondContact OD1-N 3.5Å; D149-R153 IonicContact OD2-CZ 2.72Å; D149-R153 IonicContact OD2-NE 2.73Å; D149-R153 PolarHBondContact OD2-NE 3.23Å; D149-R153 IonicContact OD2-NH2 2.9Å; D149-R153 PolarHBondContact OD2-NH2 3.1Å
150M91Very high86.1Confident139 Ų13974.8 Ų74.869%0.68540%0.403SS*.THydrogen-bonded Turntrans-68.1-19177.6-165.6-179.1-58.300113.3F136F136-M150 HydrophobicContact CB-CE 3.84Å; F136-M150 HydrophobicContact CD1-CE 4.1Å; F136-M150 HydrophobicContact CD2-CG 4.47Å; F136-M150 HydrophobicContact CE2-CB 4.42Å; F136-M150 HydrophobicContact CG-CE 3.97Å; F136-M150 HydrophobicContact CZ-CB 4.49Å
151E92.3Very high83.9Confident134 Ų13476.4 Ų76.463%0.62640%0.402SS*.THydrogen-bonded Turntrans-98.813.8178.4-60.4-175.8153.400112D149 R153D149-E151 PolarHBondContact O-N 2.95Å; D149-E151 VanDerWaalsContact OD1-C 3.24Å; D149-E151 VanDerWaalsContact OD1-CA 3.29Å; D149-E151 WeakPolarHBondContact OD1-CA 3.32Å; D149-E151 PolarHBondContact OD1-N 2.78Å; E151-R153 HydrophobicContact CB-CG 4.47Å; E151-R153 PolarHBondContact O-N 2.95Å; E151-R153 IonicContact OE2-CZ 3.9Å; E151-R153 IonicContact OE2-NE 2.72Å; E151-R153 IonicContact OE2-NH1 3.17Å; E151-R153 PolarHBondContact OE2-NH1 3.37Å; E151-R153 IonicContact OE2-NH2 3.94Å; E151-R153 PolarHBondContact OE2-NH2 3.21Å
152D92.7Very high82Confident116 Ų11676.3 Ų76.362%0.6240%0.404SS*.SBendtrans57.430.2-176.3-64.6-37.7000114R132 D149R132-D152 IonicContact NE-OD1 2.81Å; D149-D152 PolarHBondContact O-N 3.46Å; D149-D152 PolarHBondContact OD1-N 3.06Å
153R91.9Very high79.7Confident144 Ų14481.4 Ų81.454%0.54343%0.431SS..PPolyproline II helixtrans-88133.4169.5-60.3-178.3-63.2-142.8-13.8110Y148 D149 E151Y148-R153 CarbonylContact C-O 3.59Å; Y148-R153 VanDerWaalsContact CA-O 3.25Å; Y148-R153 WeakPolarHBondContact CA-O 3.28Å; D149-R153 PolarHBondContact N-O 3.07Å; D149-R153 PolarHBondContact OD1-N 3.5Å; D149-R153 IonicContact OD2-CZ 2.72Å; D149-R153 IonicContact OD2-NE 2.73Å; D149-R153 PolarHBondContact OD2-NE 3.23Å; D149-R153 IonicContact OD2-NH2 2.9Å; D149-R153 PolarHBondContact OD2-NH2 3.1Å; E151-R153 HydrophobicContact CB-CG 4.47Å; E151-R153 PolarHBondContact O-N 2.95Å; E151-R153 IonicContact OE2-CZ 3.9Å; E151-R153 IonicContact OE2-NE 2.72Å; E151-R153 IonicContact OE2-NH1 3.17Å; E151-R153 PolarHBondContact OE2-NH1 3.37Å; E151-R153 IonicContact OE2-NH2 3.94Å; E151-R153 PolarHBondContact OE2-NH2 3.21Å
154E91.6Very high77.3Confident148 Ų14881.8 Ų81.869%0.69245%0.448SS*.BIsolated β-bridgetrans-65136.8174.8-169.1170.9-159.900110.3G147 Y148G147-E154 CarbonylContact O-C 3.42Å; G147-E154 WeakPolarHBondContact O-CA 3.27Å; Y148-E154 HydrophobicContact CD1-CB 4.26Å; Y148-E154 HydrophobicContact CE1-CB 4.07Å; Y148-E154 HydrophobicContact CE1-CG 4.47Å
155A85.3Confident74.9Confident28 Ų2887.6 Ų87.623%0.23148%0.477CS..PPolyproline II helixtrans-60.7137.5172.900000109.6Y144 G147Y144-A155 HydrophobicContact CD1-CB 3.67Å; Y144-A155 HydrophobicContact CD2-CB 4.06Å; Y144-A155 HydrophobicContact CE1-CB 3.72Å; Y144-A155 HydrophobicContact CE2-CB 4.09Å; Y144-A155 HydrophobicContact CG-CB 3.85Å; G147-A155 PolarHBondContact O-N 3.02Å
156S79.8Confident72.4Confident71 Ų7190 Ų9050%0.49750%0.501SS..PPolyproline II helixtrans-72.1143.4172.7-172.20000109.5S158 D159S156-S158 PolarHBondContact O-N 3.22Å; S156-D159 WeakPolarHBondContact O-CB 3.31Å; S156-D159 PolarHBondContact O-N 3.14Å
157D59.2Low70.1Confident156 Ų15694.6 Ų94.683%0.83453%0.531SS*.G310 helixtrans-54-27.5171.6-67.6-42.8000112.1D159 G160D157-D159 VanDerWaalsContact C-N 3.3Å; D157-D159 PolarHBondContact O-N 3.12Å; D157-G160 PolarHBondContact O-N 2.94Å
158S55.3Low67.9Low82 Ų8299.8 Ų99.857%0.57355%0.552SS**G310 helixtrans-69.1-21.6175.7-170.60000114.2S156 G160S156-S158 PolarHBondContact O-N 3.22Å; S158-G160 VanDerWaalsContact C-N 3.3Å
159D57.7Low65.7Low77 Ų77101 Ų10141%0.41257%0.565SS.*G310 helixtrans-81.6-13.5179-70.7-34.3000112.4Y144 S156 D157Y144-D159 HydrophobicContact CE2-CB 4.06Å; Y144-D159 PolarHBondContact OH-OD2 3.2Å; S156-D159 WeakPolarHBondContact O-CB 3.31Å; S156-D159 PolarHBondContact O-N 3.14Å; D157-D159 VanDerWaalsContact C-N 3.3Å; D157-D159 PolarHBondContact O-N 3.12Å
160G52Low63.5Low26 Ų26106.8 Ų106.827%0.26860%0.596SS.*THydrogen-bonded Turntrans-97.6-13.4179.400000114.5D157 S158 V162D157-G160 PolarHBondContact O-N 2.94Å; S158-G160 VanDerWaalsContact C-N 3.3Å; G160-V162 PolarHBondContact O-N 3.22Å
161E50.2Low61.8Low142 Ų142108.4 Ų108.466%0.66460%0.602SS**SBendtrans-68.3112.9166.1-68.6-75145.500106.3D163E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 3.1Å
162V55.9Low59.4Low45 Ų45108.7 Ų108.727%0.27361%0.607SS.*  trans-57.3102.4166.6162.90000105.5K67 G160 G164K67-V162 HydrophobicContact CB-CG1 4.5Å; K67-V162 HydrophobicContact CB-CG2 3.9Å; K67-V162 HydrophobicContact CD-CB 4.29Å; K67-V162 HydrophobicContact CD-CG1 3.21Å; K67-V162 HydrophobicContact CD-CG2 4.1Å; K67-V162 HydrophobicContact CG-CG1 4.49Å; G160-V162 PolarHBondContact O-N 3.22Å; V162-G164 PolarHBondContact O-N 2.97Å
163D48.1Very low57.5Low118 Ų118111 Ų11163%0.63162%0.615SS**  trans-49.9110.7172-76.4-45.5000106.8E161 E165E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 3.1Å; D163-E165 HydrophobicContact CB-CG 4.34Å; D163-E165 PolarHBondContact O-N 3.23Å
164G46.8Very low55.6Low73 Ų73113 Ų11375%0.75363%0.63SS**  trans-7035.9169.100000110.4V162 G166V162-G164 PolarHBondContact O-N 2.97Å; G164-G166 PolarHBondContact O-N 3.19Å
165E45.3Very low53.2Low161 Ų161109.6 Ų109.675%0.75264%0.635SS**  trans-7089.3161.6-66.7-149.2173.100106D163 V167D163-E165 HydrophobicContact CB-CG 4.34Å; D163-E165 PolarHBondContact O-N 3.23Å; E165-V167 VanDerWaalsContact C-N 3.32Å; E165-V167 PolarHBondContact O-N 3.4Å
166G45.4Very low51.4Low50 Ų50116.9 Ų116.952%0.51566%0.664SS.*  trans-44.4107.4152.600000106.7G164 D168G164-G166 PolarHBondContact O-N 3.19Å; G166-D168 PolarHBondContact O-N 3.5Å
167V48.8Very low49.8Very low132 Ų132122.3 Ų122.380%0.868%0.681SS**  trans-6973.8149.4-1740000104.3E165 D169E165-V167 VanDerWaalsContact C-N 3.32Å; E165-V167 PolarHBondContact O-N 3.4Å; V167-D169 HydrophobicContact CG1-CB 4.08Å; V167-D169 PolarHBondContact O-N 3.39Å
168D46.2Very low49.2Very low139 Ų139122.9 Ų122.974%0.74368%0.679SS**  trans-71.974.7161.6-70.8-43.2000105G166 D170G166-D168 PolarHBondContact O-N 3.5Å; D168-D170 PolarHBondContact O-N 2.7Å; D168-D170 VanDerWaalsContact O-N 3.09Å
169D50Low48.8Very low126 Ų126127.5 Ų127.567%0.67469%0.692SS**  trans-80.362.4163.9-158.226.9000106.9V167V167-D169 HydrophobicContact CG1-CB 4.08Å; V167-D169 PolarHBondContact O-N 3.39Å
170D47.1Very low48.1Very low135 Ų135132 Ų13272%0.72272%0.716SS**  trans-103.580.5160.4-80.5-44.8000106.1D168 D172D168-D170 PolarHBondContact O-N 2.7Å; D168-D170 VanDerWaalsContact O-N 3.09Å; D170-D172 PolarHBondContact O-N 2.89Å
171E56Low47.9Very low174 Ų174138.7 Ų138.781%0.81374%0.74SS**  trans-60.992154-72.8-172160.100107.6
172D43.1Very low47.6Very low139 Ų139139.1 Ų139.174%0.74375%0.747SS**  trans-144.5107.1161.9-96.4-28.3000111.8D170D170-D172 PolarHBondContact O-N 2.89Å
173E51.5Low47.1Very low166 Ų166140.7 Ų140.778%0.77677%0.772SS**  trans35.9118.9141.2-83.1-176.6146.300121.4
174E52.5Low47.2Very low185 Ų185144.3 Ų144.386%0.86479%0.785SS**  trans61.9107.2136.5-52.5-146.1167.100118.8
175G40.5Very low47.4Very low77 Ų77149.9 Ų149.979%0.79479%0.792SS**  trans-145.8112.1162.100000109.7
176E48.8Very low47.5Very low180 Ų180151 Ų15184%0.84180%0.797SS**  trans-59.8144.9178.3-60.4-167150.500112E178E176-E178 PolarHBondContact O-N 2.94Å
177E45.3Very low47.7Very low185 Ų185155.9 Ų155.986%0.86481%0.811SS**  trans-63.2117.8167.8-61177.5171.200109
178E46Very low47.6Very low169 Ų169159.3 Ų159.379%0.7982%0.816SS**  trans-131115154.9-70.2-66.9179.400108.3E176E176-E178 PolarHBondContact O-N 2.94Å
179E46.9Very low47.8Very low179 Ų179159 Ų15984%0.83681%0.814SS**  trans-67.1129168.1-58.6175.8156.100107.9
180D44.3Very low48Very low170 Ų170161.5 Ų161.591%0.90982%0.822SS**  trans-139119156.3-90-40.3000110.4
181E48.1Very low48.3Very low168 Ų168163.3 Ų163.379%0.78583%0.826SS**  trans-73.4163.5175.9-139177.9164.900110.2
182D43.7Very low47.8Very low150 Ų150161.9 Ų161.980%0.80282%0.824SS**  trans88.1125.2154.4-46.4-23.8000119.8
183G44.2Very low48.4Very low78 Ų78162.1 Ų162.180%0.80483%0.825SS**  trans163.389.3157.600000113.8
184E51.3Low48.4Very low194 Ų194161.1 Ų161.191%0.90783%0.825SS**  trans-57.2154-172.8-57-170.5152.100116.4
185E50Low48.6Very low191 Ų191161.6 Ų161.689%0.89383%0.827SS**  trans-50.8131.6168.8-52.2-93.6157.400112
186E48.3Very low49.3Very low184 Ų184166.6 Ų166.686%0.8683%0.83SS**  trans-109.9108.9157.7-71.7-148.2170.900109.7
187D49.7Very low49.5Very low152 Ų152165.4 Ų165.481%0.81383%0.829SS**  trans-44.7128.1157.2-88.8-52.5000110.6
188F47Very low50Low205 Ų205164.7 Ų164.790%0.89983%0.826SS**  trans-127.8103.3157.5-134.4-94000108.2
189D50.1Low50.6Low133 Ų133164.6 Ų164.671%0.71183%0.825SS**  trans-114.1166.5173.4-141.9-8.6000108.5
190E53.7Low50.8Low177 Ų177164 Ų16483%0.82782%0.823SS**  trans93.699.9-177.3-58.9-178.1170.800113.7
191E53.6Low51.4Low174 Ų174162 Ų16281%0.81382%0.817SS**  73.5143.665.2-67.4-158.4168.500114.7
192D45.9Very low51.6Low144 Ų144162.7 Ų162.777%0.7782%0.82SS**  trans72.2138.4177.8-69.2-20.2000116.6
193D54.5Low51.5Low144 Ų144158.8 Ų158.877%0.7782%0.815SS**  cis-158.2151.431.5-131.7-25.3000109.9
194D52.8Low52Low145 Ų145164.3 Ų164.378%0.77582%0.82SS**  trans-58.2154.9168.1-72.4-54.7000111.9
195E56.8Low52.1Low195 Ų195163.7 Ų163.791%0.91182%0.817SS**  -177125.3119.5-96.6176.6-168.400111.2
196E55.3Low52.2Low182 Ų182162.8 Ų162.885%0.8582%0.818SS**  trans-60.2138.9164.3-61.5171156.900109.4
197D52.4Low52.3Low155 Ų155161 Ų16183%0.82982%0.815SS**  trans-144.2112.6151.6-124.3-15.4000110.3
198E55.6Low52.5Low170 Ų170161.4 Ų161.479%0.79482%0.816SS**  trans-80.6116.3169.4-61.7179.6157.200107.9
199E58.5Low52.8Low166 Ų166160.3 Ų160.378%0.77681%0.814SS**  trans-114.796.5164.6-79.3-90.2165.300108.6
200E51.4Low52.8Low166 Ų166160 Ų16078%0.77682%0.817SS**  trans-59.7130.1158.1-65.9-177.4151.200109.7
201V56.2Low52.6Low130 Ų130156.6 Ų156.679%0.78881%0.812SS**  trans-127.3103.3157.5-176.50000108.3
202E51.8Low52.1Low182 Ų182151.4 Ų151.485%0.8581%0.806SS**  trans-81.7153.2162.6-68.1-152.6158.200111.7
203G42.1Very low52.4Low67 Ų67151.9 Ų151.969%0.69181%0.809SS**  trans96.3134157.600000114.5
204E54.8Low52.2Low195 Ų195153.4 Ų153.491%0.91181%0.811SS**  cis-150.6157.914.3-66.8-168.1155.200110.5
205E53.6Low52.2Low181 Ų181156 Ų15685%0.84682%0.818SS**  trans-60.3147.6168.3-55.7170.8157.800110.5
206D51.9Low51.7Low171 Ų171153.6 Ų153.691%0.91481%0.812SS**  trans-152.9117.9143.7-98.2-31.3000109.8
207D51.6Low51.4Low148 Ų148153 Ų15379%0.79182%0.815SS**  trans-52.8148.1165.1-86.8-46.1000111.9
208D53Low51.3Low159 Ų159153.6 Ų153.685%0.8581%0.812SS**  -172.398.8125.1-98.4-39.5000110.3
209E53.7Low51Low183 Ų183155.2 Ų155.286%0.85582%0.817SS**  trans-73.1128.6149.4-70.2-171154.200108.7
210V50.7Low50.1Low127 Ų127150.5 Ų150.577%0.7781%0.813SS**  trans-153.5131.5147.5164.40000111
211S48.6Very low49.8Very low104 Ų104150.5 Ų150.573%0.72781%0.813SS**  trans-3.4144.6154.766.50000119
212G43.8Very low49.1Very low66 Ų66150.8 Ų150.868%0.6881%0.81SS**  cis92.6109.749.900000110
213D50.6Low48.6Very low154 Ų154145.4 Ų145.482%0.82480%0.804SS**  trans169.1105.2156.6-108.3-70.9000105
214E52Low49.1Very low176 Ų176151.3 Ų151.382%0.82281%0.813SS**  43.6108.680.7-68.6-168.4-170.400113.1
215E52.7Low49Very low198 Ų198148.9 Ų148.993%0.92581%0.811SS**  trans-151.4135.2130.8-74.4-155.816500110
216D46.1Very low48.9Very low146 Ų146148.3 Ų148.378%0.78181%0.809SS**  trans-58.4152176.1-68.2-62.5000114.2
217D47.7Very low48.7Very low170 Ų170146.5 Ų146.591%0.90980%0.799SS**  trans-145.5112.6133.7-108.6-44.5000110.3
218E51.6Low48.4Very low166 Ų166146.7 Ų146.778%0.77680%0.795SS**  trans-85.3128.2177.8171-177.7170.100110.2
219F48.6Very low48.1Very low205 Ų205144.7 Ų144.790%0.89979%0.785SS**  trans-162.9113.9148.1-98-79000105.2
220G40Very low47.9Very low66 Ų66143.7 Ų143.768%0.6878%0.78SS**  62.5116.763.300000108.3
221Q43.8Very low47.8Very low167 Ų167144.7 Ų144.778%0.7878%0.781SS**  cis-177.3159.531.1-158.1179.4-3.600107
222D42.3Very low48Very low135 Ų135147.8 Ų147.872%0.72278%0.784SS**  trans37.9140.4146.86013.2000124.2
223G42.6Very low48.3Very low70 Ų70152.8 Ų152.872%0.72280%0.795SS**  trans172.55416700000113.7
224E52.4Low48.3Very low191 Ų191153.5 Ų153.589%0.89379%0.793SS**  trans-58.2135.4157.3-66.5177.9159.600109.1
225V52.4Low47.8Very low144 Ų144151.5 Ų151.587%0.87379%0.788SS**  trans-147.798.5151.8-980000107.5
226E51.8Low47.3Very low169 Ų169149.7 Ų149.779%0.7978%0.78SS**  trans-71.8174.9145.5-66.2-175.1148.700109.2
227D46.6Very low47.1Very low132 Ų132150 Ų15071%0.70678%0.776SS**  trans87.8136.6165.1-51.7-22.8000116.1
228E46.6Very low46.8Very low152 Ų152149.8 Ų149.871%0.7177%0.77SS**  cis179.3174.8-14.6-117.1174.3179.300103.9
229D45.5Very low46.3Very low118 Ų118145.2 Ų145.263%0.63176%0.761SS**  trans83.4110.1156.8-53.6-26.7000118.4
230E48.9Very low45.9Very low162 Ų162144.3 Ų144.376%0.75776%0.759SS**  72.3121.286-69.9-178.817200109.6
231D48.4Very low45.9Very low147 Ų147145.2 Ų145.279%0.78676%0.761SS**  -164.9154.769.9-82.7-55.1000112.6
232E54.1Low45.6Very low170 Ų170141.2 Ų141.279%0.79476%0.764SS**  trans-56.4155.4162.1-62.6169.2151.500112
233D50.2Low45.6Very low170 Ų170145 Ų14591%0.90977%0.774SS**  -169.6132126.6-92.5-30.7000111.4
234E49.7Very low45.6Very low170 Ų170145.5 Ų145.579%0.79478%0.779SS**  trans-75-174.7175.7-64177.3131.900112.1
235D42.2Very low45.3Very low134 Ų134144.5 Ų144.572%0.71778%0.775SS**  trans83.2146.4155.8-62.6-18.1000118.1
236E41.5Very low45.1Very low160 Ų160146 Ų14675%0.74877%0.769SS**  cis-174.3146.3-26.9-120.4-174.3176.100102.4
237E42Very low44.8Very low152 Ų152149.4 Ų149.471%0.7178%0.775SS**  trans60.1129.3141.9-62.1-118.2143.700123.7
238E41.8Very low45.1Very low166 Ų166151 Ų15178%0.77678%0.776SS**  trans68148.1134.9-61-89.6131.600118.5
239A40.5Very low45Very low70 Ų70155.6 Ų155.658%0.57979%0.787SS**  cis-175.3164.3-12.100000105.3
240E40.9Very low45Very low185 Ų185155.8 Ų155.886%0.86479%0.788SS**  trans16193.6143.8-87.4-79.7141.600107.4
241A39.3Very low45Very low86 Ų86153 Ų15371%0.71179%0.792SS**  88.3103.787.400000113.4
242G38.6Very low45.1Very low82 Ų82154.7 Ų154.785%0.84580%0.795SS**  trans-148.761.9173.200000112.4
243K41.7Very low45Very low214 Ų214154.3 Ų154.393%0.9380%0.799SS**  trans-0.2132160.5-65.6170177.81700118.5
244G43Very low45.1Very low82 Ų82154.5 Ų154.585%0.84579%0.794SS**  trans177.683.9161.900000116.3
245Q45.3Very low45.2Very low169 Ų169154.3 Ų154.379%0.7980%0.798SS**  trans-67139.7-169.8-76.3163.9-41.700118.6
246K47.5Very low45.6Very low175 Ų175154.5 Ų154.576%0.76180%0.799SS**  61.5113.6122.3-60178.4174.21800119.1
247R46.7Very low46.3Very low242 Ų242154.6 Ų154.691%0.91381%0.805SS**  72.712675.1-78.3-162.8-177.1-175.22.4117
248K52.8Low46.8Very low165 Ų165155.9 Ų155.972%0.71781%0.811SS**  trans88.7125.4138.8-120.7-176.7-167.9-128.30120.2D250K248-D250 WeakPolarHBondContact CE-OD2 3.42Å; K248-D250 IonicContact NZ-OD2 3.69Å; K248-D250 PolarHBondContact NZ-OD2 2.73Å
249R44Very low47.6Very low249 Ų249156 Ų15694%0.9482%0.817SS**  trans-152.9124.3131.5-114178.1-79178.6-1.8109.7
250D46.6Very low48.5Very low122 Ų122159.9 Ų159.965%0.65283%0.828SS**  trans-80.5147.9162-65.5-74.1000108.6K248K248-D250 WeakPolarHBondContact CE-OD2 3.42Å; K248-D250 IonicContact NZ-OD2 3.69Å; K248-D250 PolarHBondContact NZ-OD2 2.73Å
251A48.6Very low49.4Very low102 Ų102160.5 Ų160.584%0.84383%0.831SS**  trans-179.9128.113500000109.7
252E50.3Low50.3Low183 Ų183164.9 Ų164.986%0.85584%0.837SS**  trans-60.9148.7166.3-59.9164.7160.200110.3
253D51.9Low51.5Low163 Ų163168.7 Ų168.787%0.87284%0.838SS**  trans-166.6137.9132.3-98-27.3000110.2
254E52.8Low52.4Low173 Ų173169.6 Ų169.681%0.80885%0.853SS**  trans-60146.8174.6-59.6167.4152.900110.8
255D51.7Low52.8Low166 Ų166174 Ų17489%0.88885%0.853SS**  trans-165.5131.2137-93.2-32.7000109.9
256D51Low53.2Low138 Ų138174.3 Ų174.374%0.73886%0.857SS**  trans-48.6149.6170.3-78.5-47.4000113
257D56.1Low53.6Low163 Ų163174.2 Ų174.287%0.87286%0.862SS**  -173.4109.7115.4-87.7-29.7000109.1
258E52.3Low54Low179 Ų179170.2 Ų170.284%0.83686%0.859SS**  trans-62.9134.4156.6-66.8173.6157.300108.7
259D58.6Low54Low168 Ų168170.6 Ų170.690%0.89887%0.868SS**  trans-150.188.8149-98.5-24.1000106.9
260D58.3Low54.7Low151 Ų151165.3 Ų165.381%0.80786%0.863SS**  trans-61.7133.4146.1-88.4-34.1000107.7
261E59.3Low55.3Low198 Ų198168.4 Ų168.493%0.92588%0.878SS**  -155.2130.4122.4-80.3-140.4166.400110
262E60.1Low55.8Low179 Ų179173.5 Ų173.584%0.83688%0.881SS**  trans-67142.9179.3-62.2170.2142.400112
263D62.5Low56.2Low162 Ų162172.8 Ų172.887%0.86688%0.883SS**  trans-99.5123.7149.8-103.5-32.4000107.1
264D60.3Low56.6Low233 Ų233173.6 Ų173.6100%1.24688%0.884SS**  trans740167.3-73.4-41.8000121.5

Retrieved 264 of 264 residues in 402.1 ms (Link to these results)

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