A0A096N087_PAPAN Loading...

Acidic leucine-rich nuclear phosphoprotein 32 family member

Histone chaperone that specifically mediates the genome-wide removal of histone H2A.Z/H2AZ1 from the nucleosome: removes H2A.Z/H2AZ1 from its normal sites of deposition, especially from enhancer and insulator regions. Not involved in deposition of H2A.Z/H2AZ1 in the nucleosome. May stabilize the evicted H2A.Z/H2AZ1-H2B dimer, thus shifting the equilibrium towards dissociation and the off-chromatin state. Inhibits activity of protein phosphatase 2A (PP2A). Does not inhibit protein phosphatase 1. May play a role in cerebellar development and synaptogenesis. Multifunctional protein that is involved in the regulation of many processes.

AlphaFold DB (H9G093), UniProt , Accession A0A096N087, Species PAPAN (Papio anubis, Olive baboon), Gene ANP32E, Length 267 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
1M83.9Confident90.5Very high120 Ų12069.3 Ų69.359%0.59133%0.331SS*.  0137.50176.8-175.3-72.400107.2K5 K6 L9 C27 L28M1-K5 HydrophobicContact CG-CB 4.01Å; M1-K5 HydrophobicContact SD-CB 4.42Å; M1-K6 HydrophobicContact SD-CB 4.02Å; M1-K6 HydrophobicContact SD-CD 4.24Å; M1-L9 HydrophobicContact CE-CD2 4.35Å; M1-C27 CarbonylContact O-C 3.52Å; M1-C27 WeakPolarHBondContact O-CA 3.4Å; M1-C27 WeakPolarHBondContact O-CB 3.44Å; M1-L28 PolarHBondContact O-N 3.16Å
2E89.9Confident90.2Very high91 Ų9179 Ų7943%0.42536%0.362SS..BIsolated β-bridgetrans-62142.2177-72.6158.8-149.200111.6K4 K5 K6E2-K4 VanDerWaalsContact C-N 3.32Å; E2-K4 PolarHBondContact O-N 2.92Å; E2-K5 HydrophobicContact CB-CD 4.29Å; E2-K5 HydrophobicContact CB-CG 4.41Å; E2-K5 WeakPolarHBondContact O-CB 3.25Å; E2-K5 PolarHBondContact O-N 2.89Å; E2-K5 IonicContact OE1-NZ 2.97Å; E2-K5 PolarHBondContact OE1-NZ 3.05Å; E2-K5 VanDerWaalsContact OE2-CE 3.27Å; E2-K5 WeakPolarHBondContact OE2-CE 3.39Å; E2-K5 IonicContact OE2-NZ 3.73Å; E2-K5 PolarHBondContact OE2-NZ 3.49Å; E2-K6 PolarHBondContact O-N 2.91Å
3M91.3Very high89.8Confident2 Ų286.2 Ų86.21%0.0141%0.405CS..Hα-helixtrans-51.2-47.7179.8-178.5173.9-89.100112.6K5 K6 I7 L24 L28 C29 I34 E35 M49 V52M3-K5 VanDerWaalsContact C-N 3.27Å; M3-K5 PolarHBondContact O-N 3.48Å; M3-K6 WeakPolarHBondContact O-CB 3.29Å; M3-K6 PolarHBondContact O-N 2.81Å; M3-I7 HydrophobicContact CG-CD1 4Å; M3-I7 HydrophobicContact CG-CG1 4.44Å; M3-I7 WeakPolarHBondContact O-CG1 3.31Å; M3-I7 PolarHBondContact O-N 3.44Å; M3-L24 HydrophobicContact CE-CD1 4.34Å; M3-L24 HydrophobicContact CG-CD1 4.2Å; M3-L24 HydrophobicContact SD-CD1 4.46Å; M3-L28 PolarHBondContact N-O 3.43Å; M3-L28 VanDerWaalsContact N-O 3.15Å; M3-C29 WeakPolarHBondContact CE-SG 2.96Å; M3-I34 HydrophobicContact SD-CG2 4.07Å; M3-E35 WeakPolarHBondContact CG-O 3.4Å; M3-M49 HydrophobicContact CE-CG 4.27Å; M3-M49 HydrophobicContact CE-SD 3.73Å; M3-V52 HydrophobicContact CE-CG2 4.19Å
4K90Very high89.7Confident124 Ų12488 Ų8854%0.53941%0.406SS..Hα-helixtrans-58.2-37.8178.7-171.8175.4-177.9176.90113.2E2 N8E2-K4 VanDerWaalsContact C-N 3.32Å; E2-K4 PolarHBondContact O-N 2.92Å; K4-N8 PolarHBondContact O-N 2.99Å; K4-N8 PolarHBondContact O-ND2 3.4Å
5K91Very high89.8Confident116 Ų11684.8 Ų84.850%0.50440%0.401SS..Hα-helixtrans-70.5-39.6177.1-70.5173.5179.4141.20110.9M1 E2 M3 N8 L9M1-K5 HydrophobicContact CG-CB 4.01Å; M1-K5 HydrophobicContact SD-CB 4.42Å; E2-K5 HydrophobicContact CB-CD 4.29Å; E2-K5 HydrophobicContact CB-CG 4.41Å; E2-K5 WeakPolarHBondContact O-CB 3.25Å; E2-K5 PolarHBondContact O-N 2.89Å; E2-K5 IonicContact OE1-NZ 2.97Å; E2-K5 PolarHBondContact OE1-NZ 3.05Å; E2-K5 VanDerWaalsContact OE2-CE 3.27Å; E2-K5 WeakPolarHBondContact OE2-CE 3.39Å; E2-K5 IonicContact OE2-NZ 3.73Å; E2-K5 PolarHBondContact OE2-NZ 3.49Å; M3-K5 VanDerWaalsContact C-N 3.27Å; M3-K5 PolarHBondContact O-N 3.48Å; K5-N8 PolarHBondContact O-N 3.39Å; K5-L9 PolarHBondContact O-N 2.83Å; K5-L9 VanDerWaalsContact O-N 3.12Å
6K92.7Very high89.8Confident47 Ų4781.9 Ų81.920%0.20439%0.391CS..Hα-helixtrans-62-45.3175.9-177.661.4166.1165.10111.5M1 E2 M3 N8 L9 E10 L24 C27M1-K6 HydrophobicContact SD-CB 4.02Å; M1-K6 HydrophobicContact SD-CD 4.24Å; E2-K6 PolarHBondContact O-N 2.91Å; M3-K6 WeakPolarHBondContact O-CB 3.29Å; M3-K6 PolarHBondContact O-N 2.81Å; K6-N8 PolarHBondContact O-N 2.81Å; K6-L9 WeakPolarHBondContact O-CA 3.26Å; K6-L9 WeakPolarHBondContact O-CB 3.37Å; K6-L9 PolarHBondContact O-N 2.77Å; K6-E10 HydrophobicContact CD-CG 4.37Å; K6-E10 VanDerWaalsContact CE-OE1 3.28Å; K6-E10 WeakPolarHBondContact CE-OE1 3.39Å; K6-E10 IonicContact NZ-OE1 2.74Å; K6-E10 PolarHBondContact NZ-OE1 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.19Å; K6-E10 PolarHBondContact O-N 2.82Å; K6-L24 HydrophobicContact CB-CD2 4.48Å; K6-L24 HydrophobicContact CG-CD2 3.91Å; K6-C27 HydrophobicContact CB-CB 4.28Å; K6-C27 HydrophobicContact CG-CB 4.42Å
7I92.4Very high90Very high6 Ų682.8 Ų82.83%0.03140%0.395CS..Hα-helixtrans-54.7-51.2174.8-66.7166.4000110.8M3 L9 E10 L11 L24 E35 L37 F41M3-I7 HydrophobicContact CG-CD1 4Å; M3-I7 HydrophobicContact CG-CG1 4.44Å; M3-I7 WeakPolarHBondContact O-CG1 3.31Å; M3-I7 PolarHBondContact O-N 3.44Å; I7-L9 PolarHBondContact O-N 2.8Å; I7-E10 PolarHBondContact O-N 3Å; I7-E10 VanDerWaalsContact O-N 3.12Å; I7-L11 HydrophobicContact CG2-CD1 4.15Å; I7-L11 HydrophobicContact CG2-CG 4.35Å; I7-L11 VanDerWaalsContact O-CG 3.32Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 2.82Å; I7-L24 HydrophobicContact CB-CD2 4.44Å; I7-L24 HydrophobicContact CD1-CD1 4.15Å; I7-L24 HydrophobicContact CG1-CD1 3.79Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.36Å; I7-E35 WeakPolarHBondContact CD1-O 3.33Å; I7-L37 HydrophobicContact CD1-CD2 3.9Å; I7-L37 HydrophobicContact CD1-CG 3.97Å; I7-L37 HydrophobicContact CG1-CD2 4.45Å; I7-F41 HydrophobicContact CG2-CZ 3.87Å
8N91.4Very high90Very high103 Ų10385.8 Ų85.855%0.55141%0.409SS*.Hα-helixtrans-59.9-33.4179-77.6-80.4000112.9K4 K5 K6K4-N8 PolarHBondContact O-N 2.99Å; K4-N8 PolarHBondContact O-ND2 3.4Å; K5-N8 PolarHBondContact O-N 3.39Å; K6-N8 PolarHBondContact O-N 2.81Å
9L91.7Very high90.2Very high97 Ų9781.3 Ų81.351%0.50839%0.387SS..Hα-helixtrans-70.2-40.9176.3-172.768.3000112M1 K5 K6 I7 R12M1-L9 HydrophobicContact CE-CD2 4.35Å; K5-L9 PolarHBondContact O-N 2.83Å; K5-L9 VanDerWaalsContact O-N 3.12Å; K6-L9 WeakPolarHBondContact O-CA 3.26Å; K6-L9 WeakPolarHBondContact O-CB 3.37Å; K6-L9 PolarHBondContact O-N 2.77Å; I7-L9 PolarHBondContact O-N 2.8Å; L9-R12 WeakPolarHBondContact O-CG 3.45Å; L9-R12 PolarHBondContact O-N 3Å
10E91.3Very high90.4Very high36 Ų3679.9 Ų79.917%0.16838%0.384CS..Hα-helixtrans-72-29.8179.6-65.6-50.3145.200113.3K6 I7 R12 R14 L22 L24K6-E10 HydrophobicContact CD-CG 4.37Å; K6-E10 VanDerWaalsContact CE-OE1 3.28Å; K6-E10 WeakPolarHBondContact CE-OE1 3.39Å; K6-E10 IonicContact NZ-OE1 2.74Å; K6-E10 PolarHBondContact NZ-OE1 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.19Å; K6-E10 PolarHBondContact O-N 2.82Å; I7-E10 PolarHBondContact O-N 3Å; I7-E10 VanDerWaalsContact O-N 3.12Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 3.33Å; E10-R14 PolarHBondContact O-NH2 2.79Å; E10-L22 HydrophobicContact CB-CD1 3.58Å; E10-L22 HydrophobicContact CG-CD1 4.14Å; E10-L24 HydrophobicContact CG-CD2 4.47Å
11L90Very high90.6Very high20 Ų2082.1 Ų82.111%0.10539%0.394CS..Hα-helixtrans-61.9-34.5175.1-69.9177.5000111.7I7 N13 R14 P16 V19 F41I7-L11 HydrophobicContact CG2-CD1 4.15Å; I7-L11 HydrophobicContact CG2-CG 4.35Å; I7-L11 VanDerWaalsContact O-CG 3.32Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 2.82Å; L11-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact O-N 3.11Å; L11-R14 WeakPolarHBondContact O-CB 3.47Å; L11-R14 WeakPolarHBondContact O-CG 3.4Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 PolarHBondContact O-NE 3.2Å; L11-P16 HydrophobicContact CD1-CG 4.01Å; L11-P16 HydrophobicContact CD2-CB 4.41Å; L11-P16 HydrophobicContact CD2-CG 4.29Å; L11-V19 HydrophobicContact CD2-CG2 3.72Å; L11-F41 HydrophobicContact CD2-CE1 3.89Å; L11-F41 HydrophobicContact CD2-CZ 4.31Å
12R86.7Confident91.1Very high186 Ų18676.5 Ų76.570%0.70237%0.367SS*.THydrogen-bonded Turntrans47.139.7178.4-59.2-174.2-176.4179.14.6114.1L9 E10 R14L9-R12 WeakPolarHBondContact O-CG 3.45Å; L9-R12 PolarHBondContact O-N 3Å; E10-R12 VanDerWaalsContact C-N 3.26Å; E10-R12 PolarHBondContact O-N 3.33Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 2.79Å
13N84.6Confident91.4Very high173 Ų17374.8 Ų74.893%0.92536%0.362SS*.THydrogen-bonded Turntrans72.46.3-174.5-45.1-55.4000116.4L11L11-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact O-N 3.11Å
14R89.7Confident91.6Very high111 Ų11174.7 Ų74.742%0.41936%0.361SS..  trans-72.4150.2166.6-62178.7-72.2173.5-0.2110.2E10 L11 R12 V19E10-R14 PolarHBondContact O-NH2 2.79Å; L11-R14 WeakPolarHBondContact O-CB 3.47Å; L11-R14 WeakPolarHBondContact O-CG 3.4Å; L11-R14 PolarHBondContact O-N 3.47Å; L11-R14 PolarHBondContact O-NE 3.2Å; R12-R14 VanDerWaalsContact C-N 3.3Å; R12-R14 PolarHBondContact O-N 2.79Å; R14-V19 HydrophobicContact CB-CG2 4.33Å
15A90.6Very high91.8Very high40 Ų4070.9 Ų70.933%0.33135%0.347SS..  trans-68.4138.9169.500000109E17 E18A15-E17 PolarHBondContact O-N 3.32Å; A15-E18 HydrophobicContact CB-CG 4.31Å; A15-E18 PolarHBondContact O-N 2.99Å
16P90.3Very high91.9Very high38 Ų3870.8 Ų70.825%0.24735%0.352CS..G310 helixtrans-53.9-26.5173.7-27.134.9000113.9L11 E18 V19 T40 F41L11-P16 HydrophobicContact CD1-CG 4.01Å; L11-P16 HydrophobicContact CD2-CB 4.41Å; L11-P16 HydrophobicContact CD2-CG 4.29Å; P16-E18 VanDerWaalsContact C-N 3.27Å; P16-E18 PolarHBondContact O-N 3.36Å; P16-V19 PolarHBondContact O-N 2.89Å; P16-T40 VanDerWaalsContact CB-OG1 3.29Å; P16-T40 WeakPolarHBondContact CB-OG1 3.48Å; P16-F41 HydrophobicContact CB-CD1 4.08Å; P16-F41 HydrophobicContact CB-CD2 4.43Å; P16-F41 HydrophobicContact CB-CE1 3.88Å; P16-F41 HydrophobicContact CB-CE2 4.23Å; P16-F41 HydrophobicContact CB-CG 4.37Å; P16-F41 HydrophobicContact CB-CZ 3.95Å
17E92.3Very high91.8Very high98 Ų9868.7 Ų68.746%0.45834%0.343SS..G310 helixtrans-70.4-20-179.7-60.5-178.8151.400113.3A15 T40 K42 E43A15-E17 PolarHBondContact O-N 3.32Å; E17-T40 WeakPolarHBondContact CA-O 3.45Å; E17-T40 WeakPolarHBondContact CG-O 3.44Å; E17-K42 IonicContact OE1-NZ 2.79Å; E17-E43 WeakPolarHBondContact O-CB 3.38Å; E17-E43 WeakPolarHBondContact O-CG 3.31Å
18E90.6Very high91.5Very high136 Ų13672.9 Ų72.964%0.63637%0.365SS*.G310 helixtrans-1020.6-178-60.8175154.500112.5A15 P16A15-E18 HydrophobicContact CB-CG 4.31Å; A15-E18 PolarHBondContact O-N 2.99Å; P16-E18 VanDerWaalsContact C-N 3.27Å; P16-E18 PolarHBondContact O-N 3.36Å
19V93.4Very high91.3Very high1 Ų168.4 Ų68.41%0.00634%0.342CS..  trans-90115.4-174.5176.60000110L11 R14 P16 E21 L22 E43 L44L11-V19 HydrophobicContact CD2-CG2 3.72Å; R14-V19 HydrophobicContact CB-CG2 4.33Å; P16-V19 PolarHBondContact O-N 2.89Å; V19-E21 WeakPolarHBondContact CG1-O 3.29Å; V19-L22 HydrophobicContact CG1-CB 4.46Å; V19-E43 CarbonylContact O-C 3.17Å; V19-L44 HydrophobicContact CG1-CD1 4.17Å; V19-L44 WeakPolarHBondContact O-CA 3.31Å; V19-L44 PolarHBondContact O-N 3.23Å
20T93.9Very high91Very high53 Ų5366.6 Ų66.633%0.32534%0.335SS..  trans-89.3-29.4176.256.40000112.9E43 E45 F46T20-E43 WeakPolarHBondContact CA-O 3.43Å; T20-E45 PolarHBondContact O-N 2.89Å; T20-F46 PolarHBondContact O-N 2.84Å
21E94.9Very high90.7Very high127 Ų12771.6 Ų71.659%0.59336%0.363SS*.EExtended strand (participates in β ladder)trans-128.8132.9-177.5-58.9-178.1-179.600111.5V19 F46V19-E21 WeakPolarHBondContact CG1-O 3.29Å; E21-F46 WeakPolarHBondContact CA-O 3.03Å; E21-F46 HydrophobicContact CB-CB 4.37Å; E21-F46 HydrophobicContact CB-CD1 4.25Å; E21-F46 HydrophobicContact CG-CB 4.07Å; E21-F46 HydrophobicContact CG-CD1 4.46Å
22L95.3Very high90.6Very high2 Ų271 Ų711%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-138.9120.2178.4-171.564000111.8E10 V19 L24 L37 F41 L44 F46 L47 S48E10-L22 HydrophobicContact CB-CD1 3.58Å; E10-L22 HydrophobicContact CG-CD1 4.14Å; V19-L22 HydrophobicContact CG1-CB 4.46Å; L22-L24 HydrophobicContact CD1-CD2 3.94Å; L22-L24 HydrophobicContact CD2-CD1 4.01Å; L22-L24 HydrophobicContact CD2-CD2 4.18Å; L22-L24 HydrophobicContact CD2-CG 4.2Å; L22-L24 HydrophobicContact CG-CD1 4.3Å; L22-L24 HydrophobicContact CG-CD2 3.84Å; L22-L24 HydrophobicContact CG-CG 3.94Å; L22-L37 HydrophobicContact CD2-CD2 3.61Å; L22-F41 HydrophobicContact CD2-CD1 4.44Å; L22-F41 HydrophobicContact CD2-CE1 3.98Å; L22-F41 HydrophobicContact CD2-CZ 4.38Å; L22-L44 HydrophobicContact CB-CD1 3.62Å; L22-F46 PolarHBondContact N-O 3.45Å; L22-L47 HydrophobicContact CB-CD1 4.18Å; L22-L47 HydrophobicContact CD2-CD1 4.21Å; L22-L47 HydrophobicContact CG-CD1 4.33Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L22-S48 PolarHBondContact O-N 3.33Å
23V95.3Very high90.7Very high54 Ų5464.9 Ų64.933%0.32734%0.341SS..EExtended strand (participates in β ladder)trans-112.8112.8179.5-179.10000110.3D25 F46V23-D25 HydrophobicContact CG1-CB 4.34Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.21Å; V23-F46 HydrophobicContact CG2-CD1 4.45Å; V23-F46 HydrophobicContact CG2-CE1 3.81Å
24L94.6Very high91.1Very high0 Ų056.8 Ų56.80%030%0.298CS..  trans-114.619.9-176.1-53.7179.7000112.6M3 K6 I7 E10 L22 C27 L37 L47 S48 M49 V52M3-L24 HydrophobicContact CE-CD1 4.34Å; M3-L24 HydrophobicContact CG-CD1 4.2Å; M3-L24 HydrophobicContact SD-CD1 4.46Å; K6-L24 HydrophobicContact CB-CD2 4.48Å; K6-L24 HydrophobicContact CG-CD2 3.91Å; I7-L24 HydrophobicContact CB-CD2 4.44Å; I7-L24 HydrophobicContact CD1-CD1 4.15Å; I7-L24 HydrophobicContact CG1-CD1 3.79Å; I7-L24 HydrophobicContact CG1-CD2 3.57Å; I7-L24 HydrophobicContact CG1-CG 4.36Å; E10-L24 HydrophobicContact CG-CD2 4.47Å; L22-L24 HydrophobicContact CD1-CD2 3.94Å; L22-L24 HydrophobicContact CD2-CD1 4.01Å; L22-L24 HydrophobicContact CD2-CD2 4.18Å; L22-L24 HydrophobicContact CD2-CG 4.2Å; L22-L24 HydrophobicContact CG-CD1 4.3Å; L22-L24 HydrophobicContact CG-CD2 3.84Å; L22-L24 HydrophobicContact CG-CG 3.94Å; L24-C27 WeakPolarHBondContact O-CB 3.19Å; L24-C27 PolarHBondContact O-SG 2.87Å; L24-L37 HydrophobicContact CD1-CD1 4.23Å; L24-L37 HydrophobicContact CD1-CD2 4.3Å; L24-L37 HydrophobicContact CD1-CG 4.4Å; L24-L47 HydrophobicContact CD1-CD1 4.2Å; L24-S48 WeakPolarHBondContact CA-O 3.37Å; L24-S48 WeakPolarHBondContact CB-O 3.19Å; L24-S48 PolarHBondContact N-O 3.19Å; L24-M49 HydrophobicContact CB-CG 4.15Å; L24-M49 HydrophobicContact CD1-CG 4.2Å; L24-M49 HydrophobicContact CD1-SD 4.34Å; L24-V52 WeakPolarHBondContact O-CG1 3.32Å
25D94.5Very high91.1Very high45 Ų4554.5 Ų54.524%0.24129%0.292CS..THydrogen-bonded Turntrans-60.3151.6-175.2-53.1-17.4000112.8V23 C27 S48 A50V23-D25 HydrophobicContact CG1-CB 4.34Å; V23-D25 WeakPolarHBondContact CG1-OD2 3.21Å; D25-C27 PolarHBondContact O-N 3.39Å; D25-C27 VanDerWaalsContact O-N 3.16Å; D25-S48 WeakPolarHBondContact OD1-CB 3.41Å; D25-S48 PolarHBondContact OD1-OG 2.82Å; D25-S48 PolarHBondContact OD2-OG 3.34Å; D25-A50 CarbonylContact C-O 3.54Å; D25-A50 VanDerWaalsContact CA-O 3.25Å; D25-A50 WeakPolarHBondContact CA-O 3.46Å; D25-A50 HydrophobicContact CB-CB 4.23Å; D25-A50 PolarHBondContact OD1-N 2.83Å
26N92.8Very high91Very high114 Ų11454.2 Ų54.261%0.6129%0.293SS*.THydrogen-bonded Turntrans56.629.3176.6-53.7-80.5000113.1A50 N51N26-A50 PolarHBondContact N-O 3.49Å; N26-N51 WeakPolarHBondContact CA-O 3.42Å; N26-N51 PolarHBondContact OD1-ND2 3.14Å
27C91.1Very high91Very high3 Ų353.2 Ų53.22%0.0229%0.285CS..  trans-97.7168.817081.90000111.3M1 K6 L24 D25 V52M1-C27 CarbonylContact O-C 3.52Å; M1-C27 WeakPolarHBondContact O-CA 3.4Å; M1-C27 WeakPolarHBondContact O-CB 3.44Å; K6-C27 HydrophobicContact CB-CB 4.28Å; K6-C27 HydrophobicContact CG-CB 4.42Å; L24-C27 WeakPolarHBondContact O-CB 3.19Å; L24-C27 PolarHBondContact O-SG 2.87Å; D25-C27 PolarHBondContact O-N 3.39Å; D25-C27 VanDerWaalsContact O-N 3.16Å; C27-V52 VanDerWaalsContact O-CA 3.23Å; C27-V52 WeakPolarHBondContact O-CA 3.24Å; C27-V52 WeakPolarHBondContact O-CB 3.37Å; C27-V52 VanDerWaalsContact SG-CG1 3.53Å
28L86.9Confident90.9Very high93 Ų9352 Ų5249%0.48728%0.282SS..BIsolated β-bridgetrans-105118178.4-67.4169000109.2M1 M3M1-L28 PolarHBondContact O-N 3.16Å; M3-L28 PolarHBondContact N-O 3.43Å; M3-L28 VanDerWaalsContact N-O 3.15Å
29C87.6Confident90.8Very high10 Ų1050.4 Ų50.47%0.06828%0.277CS..  trans-79.1133.2164.9-72.70000109.8M3 N31 E33 V52M3-C29 WeakPolarHBondContact CE-SG 2.96Å; C29-N31 PolarHBondContact O-N 2.98Å; C29-E33 WeakPolarHBondContact CB-O 3.23Å; C29-V52 WeakPolarHBondContact CB-O 3.45Å; C29-V52 PolarHBondContact N-O 2.85Å; C29-V52 VanDerWaalsContact SG-CG2 3.59Å
30V85.3Confident90.8Very high59 Ų5952.7 Ų52.736%0.35829%0.291SS..G310 helixtrans-77124.1174.1-177.90000107.8G32 E33V30-G32 PolarHBondContact O-N 3.02Å; V30-G32 VanDerWaalsContact O-N 3.16Å; V30-E33 PolarHBondContact O-N 3.26Å
31N85Confident90.7Very high141 Ų14150.3 Ų50.375%0.75428%0.276SS*.G310 helixtrans5724-176.9-54.2-33.3000114.7C29 E33C29-N31 PolarHBondContact O-N 2.98Å; N31-E33 PolarHBondContact O-N 3.08Å
32G86.6Confident90.5Very high7 Ų749.9 Ų49.97%0.07227%0.273CS..G310 helixtrans65.326.8-17900000113.8V30 E53 L54 S55 S56V30-G32 PolarHBondContact O-N 3.02Å; V30-G32 VanDerWaalsContact O-N 3.16Å; G32-E53 VanDerWaalsContact CA-O 3.29Å; G32-E53 WeakPolarHBondContact CA-O 3.3Å; G32-L54 WeakPolarHBondContact O-CD1 3.4Å; G32-S55 PolarHBondContact O-N 3.38Å; G32-S55 PolarHBondContact O-OG 3.05Å; G32-S55 VanDerWaalsContact O-OG 3.07Å; G32-S56 PolarHBondContact O-N 2.96Å
33E90.4Very high90.5Very high57 Ų5753.1 Ų53.127%0.26629%0.288SS..  trans-115.6151.6174.6-61.6-174.2161.500111.2C29 V30 N31 R59C29-E33 WeakPolarHBondContact CB-O 3.23Å; V30-E33 PolarHBondContact O-N 3.26Å; N31-E33 PolarHBondContact O-N 3.08Å; E33-R59 IonicContact OE2-CZ 2.67Å; E33-R59 IonicContact OE2-NE 2.82Å; E33-R59 PolarHBondContact OE2-NE 2.85Å; E33-R59 IonicContact OE2-NH2 2.7Å; E33-R59 PolarHBondContact OE2-NH2 2.8Å
34I91.6Very high90.5Very high4 Ų450.5 Ų50.52%0.02127%0.272CS..  trans-68.8131.9176.4-58.7175.2000109.9M3 L37 M49 L54 R59 L60M3-I34 HydrophobicContact SD-CG2 4.07Å; I34-L37 HydrophobicContact CG2-CB 3.84Å; I34-L37 HydrophobicContact CG2-CD1 3.73Å; I34-L37 HydrophobicContact CG2-CG 4Å; I34-M49 HydrophobicContact CD1-CE 3.85Å; I34-M49 HydrophobicContact CD1-SD 4.38Å; I34-M49 HydrophobicContact CG1-CE 4.4Å; I34-M49 HydrophobicContact CG1-SD 4.43Å; I34-L54 HydrophobicContact CD1-CD2 4.38Å; I34-L54 HydrophobicContact CG1-CD1 3.67Å; I34-L54 HydrophobicContact CG1-CD2 4.2Å; I34-R59 HydrophobicContact CB-CB 4.18Å; I34-R59 WeakPolarHBondContact O-CD 3.13Å; I34-L60 HydrophobicContact CD1-CB 4.04Å; I34-L60 HydrophobicContact CD1-CD1 3.48Å; I34-L60 VanDerWaalsContact CD1-CD1 3.48Å; I34-L60 HydrophobicContact CD1-CG 4.38Å
35E90.8Very high90.6Very high63 Ų6354.8 Ų54.829%0.29429%0.292SS..  trans-132.2134176-66.2-164.6160.100112.7M3 I7 L37M3-E35 WeakPolarHBondContact CG-O 3.4Å; I7-E35 WeakPolarHBondContact CD1-O 3.33Å; E35-L37 VanDerWaalsContact C-N 3.35Å
36G87.8Confident90.7Very high34 Ų3454.9 Ų54.935%0.35129%0.29SS..SBendtrans91.7-15.1174.500000114.9
37L90.3Very high90.8Very high17 Ų1749.4 Ų49.49%0.08926%0.261CS..  trans-76140.7164.5-66.7-179.6000110.3I7 L22 L24 I34 E35 F41 L47 M49 P61I7-L37 HydrophobicContact CD1-CD2 3.9Å; I7-L37 HydrophobicContact CD1-CG 3.97Å; I7-L37 HydrophobicContact CG1-CD2 4.45Å; L22-L37 HydrophobicContact CD2-CD2 3.61Å; L24-L37 HydrophobicContact CD1-CD1 4.23Å; L24-L37 HydrophobicContact CD1-CD2 4.3Å; L24-L37 HydrophobicContact CD1-CG 4.4Å; I34-L37 HydrophobicContact CG2-CB 3.84Å; I34-L37 HydrophobicContact CG2-CD1 3.73Å; I34-L37 HydrophobicContact CG2-CG 4Å; E35-L37 VanDerWaalsContact C-N 3.35Å; L37-F41 HydrophobicContact CD2-CD2 4.16Å; L37-F41 HydrophobicContact CD2-CE2 3.88Å; L37-F41 HydrophobicContact CD2-CZ 4.17Å; L37-L47 HydrophobicContact CD1-CD1 4.37Å; L37-L47 HydrophobicContact CD1-CD2 4.03Å; L37-M49 HydrophobicContact CD1-SD 3.97Å; L37-P61 HydrophobicContact CB-CG 4.01Å
38N90.4Very high91.1Very high73 Ų7349.6 Ų49.639%0.3926%0.263SS..  trans-152.6177.7-178.760.644.1000110T40 F41 P61N38-T40 PolarHBondContact O-N 3.48Å; N38-T40 VanDerWaalsContact OD1-CB 3.24Å; N38-T40 WeakPolarHBondContact OD1-CB 3.19Å; N38-T40 VanDerWaalsContact OD1-CG2 3.31Å; N38-T40 WeakPolarHBondContact OD1-CG2 3.17Å; N38-T40 PolarHBondContact OD1-N 3.17Å; N38-T40 PolarHBondContact OD1-OG1 2.99Å; N38-F41 WeakPolarHBondContact O-CD2 3.47Å; N38-P61 VanDerWaalsContact C-CB 3.4Å
39D89.3Confident91.5Very high101 Ų10145.2 Ų45.254%0.5424%0.239SC..THydrogen-bonded Turntrans-73.18.7-175.8-52.7-45.4000114.4P61 S62D39-P61 WeakPolarHBondContact OD1-CB 3.47Å; D39-S62 PolarHBondContact OD1-N 2.99Å
40T91.7Very high91.9Very high49 Ų4945.3 Ų45.330%0.30124%0.241SC..THydrogen-bonded Turntrans-79.2-20174.7670000112.9P16 E17 N38 K42P16-T40 VanDerWaalsContact CB-OG1 3.29Å; P16-T40 WeakPolarHBondContact CB-OG1 3.48Å; E17-T40 WeakPolarHBondContact CA-O 3.45Å; E17-T40 WeakPolarHBondContact CG-O 3.44Å; N38-T40 PolarHBondContact O-N 3.48Å; N38-T40 VanDerWaalsContact OD1-CB 3.24Å; N38-T40 WeakPolarHBondContact OD1-CB 3.19Å; N38-T40 VanDerWaalsContact OD1-CG2 3.31Å; N38-T40 WeakPolarHBondContact OD1-CG2 3.17Å; N38-T40 PolarHBondContact OD1-N 3.17Å; N38-T40 PolarHBondContact OD1-OG1 2.99Å; T40-K42 PolarHBondContact O-N 2.79Å
41F92.7Very high92.4Very high3 Ų346.2 Ų46.21%0.01324%0.244CC..  trans-7862.5177.5-66.8-87.8000111.5I7 L11 P16 L22 L37 N38 L44 L63I7-F41 HydrophobicContact CG2-CZ 3.87Å; L11-F41 HydrophobicContact CD2-CE1 3.89Å; L11-F41 HydrophobicContact CD2-CZ 4.31Å; P16-F41 HydrophobicContact CB-CD1 4.08Å; P16-F41 HydrophobicContact CB-CD2 4.43Å; P16-F41 HydrophobicContact CB-CE1 3.88Å; P16-F41 HydrophobicContact CB-CE2 4.23Å; P16-F41 HydrophobicContact CB-CG 4.37Å; P16-F41 HydrophobicContact CB-CZ 3.95Å; L22-F41 HydrophobicContact CD2-CD1 4.44Å; L22-F41 HydrophobicContact CD2-CE1 3.98Å; L22-F41 HydrophobicContact CD2-CZ 4.38Å; L37-F41 HydrophobicContact CD2-CD2 4.16Å; L37-F41 HydrophobicContact CD2-CE2 3.88Å; L37-F41 HydrophobicContact CD2-CZ 4.17Å; N38-F41 WeakPolarHBondContact O-CD2 3.47Å; F41-L44 HydrophobicContact CB-CB 4.16Å; F41-L44 HydrophobicContact CB-CD2 4.38Å; F41-L63 HydrophobicContact CB-CD2 3.95Å; F41-L63 WeakPolarHBondContact O-CD2 3.17Å
42K90.9Very high92.8Very high118 Ų11839.5 Ų39.551%0.51321%0.208SC..THydrogen-bonded Turntrans-73.5-32.4-171.9-65.4175.2-174.2160.40113.5E17 T40 K65E17-K42 IonicContact OE1-NZ 2.79Å; T40-K42 PolarHBondContact O-N 2.79Å; K42-K65 WeakPolarHBondContact O-CD 3.34Å
43E94.2Very high93.2Very high70 Ų7044.7 Ų44.733%0.32723%0.23SC..THydrogen-bonded Turntrans-94.56.6-176.5-60.6-60.8126.400112.7E17 V19 T20 E45 K65E17-E43 WeakPolarHBondContact O-CB 3.38Å; E17-E43 WeakPolarHBondContact O-CG 3.31Å; V19-E43 CarbonylContact O-C 3.17Å; T20-E43 WeakPolarHBondContact CA-O 3.43Å; E43-E45 PolarHBondContact O-N 3.4Å; E43-K65 IonicContact OE1-NZ 2.58Å; E43-K65 PolarHBondContact OE1-NZ 2.93Å; E43-K65 IonicContact OE2-NZ 3.88Å; E43-K65 PolarHBondContact OE2-NZ 2.98Å
44L95.7Very high93.4Very high0 Ų042 Ų420%022%0.218CC..  trans-70.6119.9-176.6-166.473.3000110.9V19 L22 F41 F46 L47 L63 K65 L66V19-L44 HydrophobicContact CG1-CD1 4.17Å; V19-L44 WeakPolarHBondContact O-CA 3.31Å; V19-L44 PolarHBondContact O-N 3.23Å; L22-L44 HydrophobicContact CB-CD1 3.62Å; F41-L44 HydrophobicContact CB-CB 4.16Å; F41-L44 HydrophobicContact CB-CD2 4.38Å; L44-F46 WeakPolarHBondContact CD1-O 3.5Å; L44-L47 HydrophobicContact CD2-CB 4.06Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 HydrophobicContact CD2-CD2 4.42Å; L44-L63 HydrophobicContact CB-CD2 4.49Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.19Å; L44-K65 CarbonylContact O-C 3.59Å; L44-L66 HydrophobicContact CD2-CD1 4.16Å; L44-L66 HydrophobicContact CG-CD1 4.05Å; L44-L66 WeakPolarHBondContact O-CA 3.48Å; L44-L66 PolarHBondContact O-N 2.78Å
45E96.2Very high93.5Very high90 Ų9044 Ų4442%0.42123%0.232SC..  trans-107.7-34.1-179-72.9168.9-172.300111.4T20 E43 K65 L66 R67 K68T20-E45 PolarHBondContact O-N 2.89Å; E43-E45 PolarHBondContact O-N 3.4Å; E45-K65 HydrophobicContact CG-CB 4.46Å; E45-L66 WeakPolarHBondContact O-CD1 3.48Å; E45-R67 PolarHBondContact O-N 3.44Å; E45-K68 PolarHBondContact O-N 2.83Å
46F96.6Very high93.6Very high46 Ų4642.9 Ų42.920%0.20223%0.231CC..EExtended strand (participates in β ladder)trans-124.1127.6177.8177.8-113.4000112.1T20 E21 L22 V23 L44 K68 E70T20-F46 PolarHBondContact O-N 2.84Å; E21-F46 WeakPolarHBondContact CA-O 3.03Å; E21-F46 HydrophobicContact CB-CB 4.37Å; E21-F46 HydrophobicContact CB-CD1 4.25Å; E21-F46 HydrophobicContact CG-CB 4.07Å; E21-F46 HydrophobicContact CG-CD1 4.46Å; L22-F46 PolarHBondContact N-O 3.45Å; V23-F46 HydrophobicContact CG2-CD1 4.45Å; V23-F46 HydrophobicContact CG2-CE1 3.81Å; L44-F46 WeakPolarHBondContact CD1-O 3.5Å; F46-K68 WeakPolarHBondContact CA-O 3.24Å; F46-K68 HydrophobicContact CD2-CB 3.77Å; F46-K68 HydrophobicContact CD2-CD 3.66Å; F46-K68 HydrophobicContact CD2-CG 3.53Å; F46-K68 HydrophobicContact CE2-CB 4.44Å; F46-K68 HydrophobicContact CE2-CD 3.67Å; F46-K68 HydrophobicContact CE2-CG 3.71Å; F46-E70 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CZ-CG 4.1Å
47L96.7Very high93.8Very high0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-131.1122.7174.2177.558.8000110.2L22 L24 L37 L44 M49 L60 L63 L66 K68 L69 E70L22-L47 HydrophobicContact CB-CD1 4.18Å; L22-L47 HydrophobicContact CD2-CD1 4.21Å; L22-L47 HydrophobicContact CG-CD1 4.33Å; L22-L47 WeakPolarHBondContact O-CA 3.39Å; L24-L47 HydrophobicContact CD1-CD1 4.2Å; L37-L47 HydrophobicContact CD1-CD1 4.37Å; L37-L47 HydrophobicContact CD1-CD2 4.03Å; L44-L47 HydrophobicContact CD2-CB 4.06Å; L44-L47 HydrophobicContact CD2-CD1 4.39Å; L44-L47 HydrophobicContact CD2-CD2 4.42Å; L47-M49 HydrophobicContact CD1-CG 3.98Å; L47-M49 HydrophobicContact CD1-SD 4.39Å; L47-M49 HydrophobicContact CD2-CE 3.89Å; L47-M49 HydrophobicContact CD2-SD 4.25Å; L47-M49 HydrophobicContact CG-CE 4.35Å; L47-M49 HydrophobicContact CG-CG 4.14Å; L47-M49 HydrophobicContact CG-SD 4.47Å; L47-L60 HydrophobicContact CD2-CD1 4.39Å; L47-L63 HydrophobicContact CD2-CD1 4.04Å; L47-L66 HydrophobicContact CB-CD1 3.66Å; L47-L66 HydrophobicContact CB-CD2 4.38Å; L47-K68 PolarHBondContact N-O 3.01Å; L47-L69 HydrophobicContact CB-CD1 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.98Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.21Å; L47-E70 PolarHBondContact O-N 3.09Å
48S97.1Very high93.9Very high7 Ų743.6 Ų43.65%0.04924%0.236CC..EExtended strand (participates in β ladder)trans-114.5127.6171.2-170.80000111.4L22 L24 D25 E70L22-S48 PolarHBondContact O-N 3.33Å; L24-S48 WeakPolarHBondContact CA-O 3.37Å; L24-S48 WeakPolarHBondContact CB-O 3.19Å; L24-S48 PolarHBondContact N-O 3.19Å; D25-S48 WeakPolarHBondContact OD1-CB 3.41Å; D25-S48 PolarHBondContact OD1-OG 2.82Å; D25-S48 PolarHBondContact OD2-OG 3.34Å; S48-E70 WeakPolarHBondContact OG-CB 3.21Å
49M95.6Very high94Very high0 Ų046.6 Ų46.60%024%0.242CC..  trans-134.953.2175-60-172.9-67.100109.4M3 L24 I34 L37 L47 V52 L54 L60 L69 E70 L71 N74M3-M49 HydrophobicContact CE-CG 4.27Å; M3-M49 HydrophobicContact CE-SD 3.73Å; L24-M49 HydrophobicContact CB-CG 4.15Å; L24-M49 HydrophobicContact CD1-CG 4.2Å; L24-M49 HydrophobicContact CD1-SD 4.34Å; I34-M49 HydrophobicContact CD1-CE 3.85Å; I34-M49 HydrophobicContact CD1-SD 4.38Å; I34-M49 HydrophobicContact CG1-CE 4.4Å; I34-M49 HydrophobicContact CG1-SD 4.43Å; L37-M49 HydrophobicContact CD1-SD 3.97Å; L47-M49 HydrophobicContact CD1-CG 3.98Å; L47-M49 HydrophobicContact CD1-SD 4.39Å; L47-M49 HydrophobicContact CD2-CE 3.89Å; L47-M49 HydrophobicContact CD2-SD 4.25Å; L47-M49 HydrophobicContact CG-CE 4.35Å; L47-M49 HydrophobicContact CG-CG 4.14Å; L47-M49 HydrophobicContact CG-SD 4.47Å; M49-V52 HydrophobicContact CB-CG1 4.45Å; M49-V52 HydrophobicContact CB-CG2 4.15Å; M49-L54 HydrophobicContact CE-CD2 4.3Å; M49-L60 HydrophobicContact CE-CD1 4.38Å; M49-L69 HydrophobicContact CE-CD1 4.46Å; M49-E70 PolarHBondContact N-O 2.97Å; M49-L71 HydrophobicContact CB-CD2 4.14Å; M49-L71 HydrophobicContact CE-CD2 3.53Å; M49-N74 PolarHBondContact O-ND2 2.98Å
50A95.7Very high94.2Very high12 Ų1242 Ų4210%0.09922%0.217CC..THydrogen-bonded Turntrans-77.1139.2-179.300000111.9D25 N26 V52 S72D25-A50 CarbonylContact C-O 3.54Å; D25-A50 VanDerWaalsContact CA-O 3.25Å; D25-A50 WeakPolarHBondContact CA-O 3.46Å; D25-A50 HydrophobicContact CB-CB 4.23Å; D25-A50 PolarHBondContact OD1-N 2.83Å; N26-A50 PolarHBondContact N-O 3.49Å; A50-V52 WeakPolarHBondContact O-CG1 3.29Å; A50-V52 PolarHBondContact O-N 3.17Å; A50-S72 CarbonylContact C-O 3.38Å; A50-S72 VanDerWaalsContact CA-O 3.29Å; A50-S72 WeakPolarHBondContact CA-O 3.18Å; A50-S72 VanDerWaalsContact CB-OG 3.3Å; A50-S72 WeakPolarHBondContact CB-OG 3.38Å
51N95Very high94.3Very high78 Ų7840 Ų4042%0.41721%0.205SC..THydrogen-bonded Turntrans52.354.1176.8-173.338.3000113.1N26 S72 D73N26-N51 WeakPolarHBondContact CA-O 3.42Å; N26-N51 PolarHBondContact OD1-ND2 3.14Å; N51-S72 PolarHBondContact N-O 3.4Å; N51-D73 WeakPolarHBondContact CA-O 3.37Å; N51-D73 HydrophobicContact CB-CB 4.08Å
52V94.5Very high94.4Very high0 Ų041.9 Ų41.90%022%0.219CC..SBendtrans-115.610.6179.3-50.80000113.9M3 L24 C27 C29 M49 A50 L54 N74M3-V52 HydrophobicContact CE-CG2 4.19Å; L24-V52 WeakPolarHBondContact O-CG1 3.32Å; C27-V52 VanDerWaalsContact O-CA 3.23Å; C27-V52 WeakPolarHBondContact O-CA 3.24Å; C27-V52 WeakPolarHBondContact O-CB 3.37Å; C27-V52 VanDerWaalsContact SG-CG1 3.53Å; C29-V52 WeakPolarHBondContact CB-O 3.45Å; C29-V52 PolarHBondContact N-O 2.85Å; C29-V52 VanDerWaalsContact SG-CG2 3.59Å; M49-V52 HydrophobicContact CB-CG1 4.45Å; M49-V52 HydrophobicContact CB-CG2 4.15Å; A50-V52 WeakPolarHBondContact O-CG1 3.29Å; A50-V52 PolarHBondContact O-N 3.17Å; V52-L54 HydrophobicContact CG2-CB 3.85Å; V52-L54 PolarHBondContact O-N 3.16Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.5Å; V52-N74 PolarHBondContact N-OD1 3.02Å; V52-N74 VanDerWaalsContact N-OD1 3.09Å
53E93.3Very high94.6Very high117 Ų11736.4 Ų36.455%0.54720%0.195SC..  trans57.432.4-174.7-56.3-177.4171.300113.1G32 S55 N74G32-E53 VanDerWaalsContact CA-O 3.29Å; G32-E53 WeakPolarHBondContact CA-O 3.3Å; E53-S55 PolarHBondContact O-N 3.3Å; E53-N74 PolarHBondContact N-OD1 3.38Å
54L94.8Very high94.5Very high0 Ų037.2 Ų37.20%020%0.202CC..  trans-69.9130.6-179.5-165.167.5000111.2G32 I34 M49 V52 L57 L71 N74 I75 I76G32-L54 WeakPolarHBondContact O-CD1 3.4Å; I34-L54 HydrophobicContact CD1-CD2 4.38Å; I34-L54 HydrophobicContact CG1-CD1 3.67Å; I34-L54 HydrophobicContact CG1-CD2 4.2Å; M49-L54 HydrophobicContact CE-CD2 4.3Å; V52-L54 HydrophobicContact CG2-CB 3.85Å; V52-L54 PolarHBondContact O-N 3.16Å; L54-L57 HydrophobicContact CD2-CD2 3.75Å; L54-L71 HydrophobicContact CD2-CD2 4.12Å; L54-N74 HydrophobicContact CB-CB 4.08Å; L54-N74 WeakPolarHBondContact CB-OD1 3.02Å; L54-N74 PolarHBondContact N-OD1 3.15Å; L54-I75 CarbonylContact O-C 3.42Å; L54-I75 WeakPolarHBondContact O-CA 3.2Å; L54-I75 WeakPolarHBondContact O-CG1 3.38Å; L54-I75 PolarHBondContact O-N 3.37Å; L54-I76 HydrophobicContact CD2-CD1 4.27Å; L54-I76 PolarHBondContact O-N 3.23Å
55S93.8Very high94.5Very high47 Ų4741.1 Ų41.133%0.32922%0.219SC..  trans-112.2-22.6178.469.20000113.6G32 E53G32-S55 PolarHBondContact O-N 3.38Å; G32-S55 PolarHBondContact O-OG 3.05Å; G32-S55 VanDerWaalsContact O-OG 3.07Å; E53-S55 PolarHBondContact O-N 3.3Å
56S92.7Very high94.5Very high38 Ų3836.8 Ų36.827%0.26620%0.199SC..  trans-144.7139.3-173.8178.40000112G32 A58G32-S56 PolarHBondContact O-N 2.96Å; S56-A58 WeakPolarHBondContact OG-CB 3.46Å; S56-A58 PolarHBondContact OG-N 2.77Å
57L93.4Very high94.5Very high1 Ų137.9 Ų37.91%0.00520%0.201CC..  trans-94.53.7175.1-64.3168.4000112.9L54 R59 L60 L71 I76 L80 L83L54-L57 HydrophobicContact CD2-CD2 3.75Å; L57-R59 PolarHBondContact O-N 3.01Å; L57-L60 VanDerWaalsContact O-CB 3.24Å; L57-L60 WeakPolarHBondContact O-CB 3.28Å; L57-L60 PolarHBondContact O-N 3.37Å; L57-L71 HydrophobicContact CD1-CD1 4.18Å; L57-L71 HydrophobicContact CD2-CD1 3.79Å; L57-L71 HydrophobicContact CD2-CD2 4.35Å; L57-I76 HydrophobicContact CD1-CD1 4.47Å; L57-I76 HydrophobicContact CD2-CD1 4.34Å; L57-I76 HydrophobicContact CG-CD1 4.36Å; L57-L80 HydrophobicContact CD1-CD2 4Å; L57-L83 HydrophobicContact CD1-CD1 4.11Å; L57-L83 HydrophobicContact CD1-CD2 3.91Å; L57-L83 HydrophobicContact CD1-CG 3.96Å
58A91.3Very high94.5Very high65 Ų6540.6 Ų40.654%0.53721%0.213SC..THydrogen-bonded Turntrans-59.4-24.7-17300000114.5S56S56-A58 WeakPolarHBondContact OG-CB 3.46Å; S56-A58 PolarHBondContact OG-N 2.77Å
59R92.3Very high94.6Very high136 Ų13640.2 Ų40.251%0.51321%0.211SC..THydrogen-bonded Turntrans-94.99178.5-66.5-160.4-176.5-163.89.3114.3E33 I34 L57E33-R59 IonicContact OE2-CZ 2.67Å; E33-R59 IonicContact OE2-NE 2.82Å; E33-R59 PolarHBondContact OE2-NE 2.85Å; E33-R59 IonicContact OE2-NH2 2.7Å; E33-R59 PolarHBondContact OE2-NH2 2.8Å; I34-R59 HydrophobicContact CB-CB 4.18Å; I34-R59 WeakPolarHBondContact O-CD 3.13Å; L57-R59 PolarHBondContact O-N 3.01Å
60L93.6Very high94.6Very high4 Ų441.5 Ų41.52%0.02122%0.217CC..  trans-66.1126.9176.5-163.971.7000109.7I34 L47 M49 L57 L63 L83 K86I34-L60 HydrophobicContact CD1-CB 4.04Å; I34-L60 HydrophobicContact CD1-CD1 3.48Å; I34-L60 VanDerWaalsContact CD1-CD1 3.48Å; I34-L60 HydrophobicContact CD1-CG 4.38Å; L47-L60 HydrophobicContact CD2-CD1 4.39Å; M49-L60 HydrophobicContact CE-CD1 4.38Å; L57-L60 VanDerWaalsContact O-CB 3.24Å; L57-L60 WeakPolarHBondContact O-CB 3.28Å; L57-L60 PolarHBondContact O-N 3.37Å; L60-L63 HydrophobicContact CD1-CD1 4.34Å; L60-L83 HydrophobicContact CD2-CD2 3.84Å; L60-K86 HydrophobicContact CD2-CB 4.16Å; L60-K86 WeakPolarHBondContact O-CD 3.49Å; L60-K86 WeakPolarHBondContact O-CE 3.15Å
61P93.8Very high94.7Very high8 Ų841 Ų415%0.05221%0.212CC..  trans-70.3170.8174.230.9-35.4000111.5L37 N38 D39 L63L37-P61 HydrophobicContact CB-CG 4.01Å; N38-P61 VanDerWaalsContact C-CB 3.4Å; D39-P61 WeakPolarHBondContact OD1-CB 3.47Å; P61-L63 HydrophobicContact CG-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD2 4.02Å; P61-L63 HydrophobicContact CG-CG 4.07Å; P61-L63 PolarHBondContact O-N 2.8Å
62S94.4Very high94.8Very high43 Ų4338.1 Ų38.130%0.30120%0.198SC..  trans-74.4113.9173.6-153.20000109.2D39 N64D39-S62 PolarHBondContact OD1-N 2.99Å; S62-N64 PolarHBondContact OG-OD1 2.87Å
63L95.3Very high94.9Very high2 Ų242.5 Ų42.51%0.0122%0.221CC..  trans-12077.6-178.8-58.8172.1000108.8F41 L44 L47 L60 P61 K65 L66 K86F41-L63 HydrophobicContact CB-CD2 3.95Å; F41-L63 WeakPolarHBondContact O-CD2 3.17Å; L44-L63 HydrophobicContact CB-CD2 4.49Å; L44-L63 HydrophobicContact CD2-CD1 4.14Å; L44-L63 HydrophobicContact CD2-CD2 4.19Å; L47-L63 HydrophobicContact CD2-CD1 4.04Å; L60-L63 HydrophobicContact CD1-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD1 4.34Å; P61-L63 HydrophobicContact CG-CD2 4.02Å; P61-L63 HydrophobicContact CG-CG 4.07Å; P61-L63 PolarHBondContact O-N 2.8Å; L63-K65 VanDerWaalsContact C-N 3.28Å; L63-K65 PolarHBondContact O-N 2.85Å; L63-L66 HydrophobicContact CB-CB 3.84Å; L63-L66 HydrophobicContact CB-CD2 4.4Å; L63-L66 HydrophobicContact CD1-CD2 4.07Å; L63-L66 WeakPolarHBondContact O-CB 3.3Å; L63-L66 PolarHBondContact O-N 3.28Å; L63-K86 CarbonylContact C-O 3.59Å; L63-K86 PolarHBondContact N-O 2.68Å
64N93.3Very high95Very high88 Ų8837.1 Ų37.147%0.47120%0.196SC..THydrogen-bonded Turntrans-69.8-23.4-171.2-62.4-25.4000113.5S62 N89S62-N64 PolarHBondContact OG-OD1 2.87Å; N64-N89 PolarHBondContact O-ND2 3.04Å
65K95.4Very high95.1Very high81 Ų8141.2 Ų41.235%0.35222%0.217SC..THydrogen-bonded Turntrans-91-6.8177.1-74.6-174.2163.9179.30113.5K42 E43 L44 E45 L63 R67K42-K65 WeakPolarHBondContact O-CD 3.34Å; E43-K65 IonicContact OE1-NZ 2.58Å; E43-K65 PolarHBondContact OE1-NZ 2.93Å; E43-K65 IonicContact OE2-NZ 3.88Å; E43-K65 PolarHBondContact OE2-NZ 2.98Å; L44-K65 CarbonylContact O-C 3.59Å; E45-K65 HydrophobicContact CG-CB 4.46Å; L63-K65 VanDerWaalsContact C-N 3.28Å; L63-K65 PolarHBondContact O-N 2.85Å; K65-R67 PolarHBondContact O-N 3.18Å; K65-R67 PolarHBondContact O-NH1 3.01Å
66L96.6Very high95.2Very high0 Ų039 Ų390%020%0.202CC..  trans-64.6121.7-176.1-164.776.3000110.7L44 E45 L47 L63 L69 C87 N89 L90L44-L66 HydrophobicContact CD2-CD1 4.16Å; L44-L66 HydrophobicContact CG-CD1 4.05Å; L44-L66 WeakPolarHBondContact O-CA 3.48Å; L44-L66 PolarHBondContact O-N 2.78Å; E45-L66 WeakPolarHBondContact O-CD1 3.48Å; L47-L66 HydrophobicContact CB-CD1 3.66Å; L47-L66 HydrophobicContact CB-CD2 4.38Å; L63-L66 HydrophobicContact CB-CB 3.84Å; L63-L66 HydrophobicContact CB-CD2 4.4Å; L63-L66 HydrophobicContact CD1-CD2 4.07Å; L63-L66 WeakPolarHBondContact O-CB 3.3Å; L63-L66 PolarHBondContact O-N 3.28Å; L66-L69 HydrophobicContact CD2-CB 4.1Å; L66-L69 HydrophobicContact CD2-CD1 4.32Å; L66-L69 HydrophobicContact CD2-CD2 4.35Å; L66-L69 HydrophobicContact CD2-CG 4.49Å; L66-C87 HydrophobicContact CD2-CB 4.4Å; L66-N89 CarbonylContact O-C 3.23Å; L66-L90 HydrophobicContact CD2-CD1 4.06Å; L66-L90 HydrophobicContact CG-CD1 4.14Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3Å
67R96.4Very high95.3Very high69 Ų6940.6 Ų40.626%0.2621%0.213SC..  trans-104.2-39.5177.3-65-49.7-164.5-81.53.4111.7E45 K65 N89 L90 T91 Y92E45-R67 PolarHBondContact O-N 3.44Å; K65-R67 PolarHBondContact O-N 3.18Å; K65-R67 PolarHBondContact O-NH1 3.01Å; R67-N89 WeakPolarHBondContact CD-O 3.46Å; R67-L90 VanDerWaalsContact O-CD1 3.3Å; R67-L90 WeakPolarHBondContact O-CD1 3.25Å; R67-T91 PolarHBondContact O-N 2.91Å; R67-T91 PolarHBondContact O-OG1 3.06Å; R67-T91 VanDerWaalsContact O-OG1 3.09Å; R67-Y92 PolarHBondContact O-N 3.27Å
68K97.1Very high95.3Very high56 Ų5641.6 Ų41.624%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-125.1125-174.1-178.5172.9-173.1172.10111.9E45 F46 L47 E70 Y92E45-K68 PolarHBondContact O-N 2.83Å; F46-K68 WeakPolarHBondContact CA-O 3.24Å; F46-K68 HydrophobicContact CD2-CB 3.77Å; F46-K68 HydrophobicContact CD2-CD 3.66Å; F46-K68 HydrophobicContact CD2-CG 3.53Å; F46-K68 HydrophobicContact CE2-CB 4.44Å; F46-K68 HydrophobicContact CE2-CD 3.67Å; F46-K68 HydrophobicContact CE2-CG 3.71Å; L47-K68 PolarHBondContact N-O 3.01Å; K68-E70 WeakPolarHBondContact CE-OE1 3.05Å; K68-E70 IonicContact NZ-OE1 2.74Å; K68-Y92 HydrophobicContact CD-CD1 4.14Å; K68-Y92 HydrophobicContact CD-CG 4.38Å; K68-Y92 HydrophobicContact CG-CD1 3.56Å; K68-Y92 HydrophobicContact CG-CE1 4.3Å; K68-Y92 HydrophobicContact CG-CG 4Å
69L97.6Very high95.4Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-128.5116.8-178.3179.556.1000111.2L47 M49 L66 L71 L83 L90 Y92 L93 N94L47-L69 HydrophobicContact CB-CD1 4.02Å; L47-L69 HydrophobicContact CD2-CD1 3.98Å; L47-L69 HydrophobicContact CG-CD1 3.97Å; L47-L69 WeakPolarHBondContact O-CA 3.21Å; M49-L69 HydrophobicContact CE-CD1 4.46Å; L66-L69 HydrophobicContact CD2-CB 4.1Å; L66-L69 HydrophobicContact CD2-CD1 4.32Å; L66-L69 HydrophobicContact CD2-CD2 4.35Å; L66-L69 HydrophobicContact CD2-CG 4.49Å; L69-L71 HydrophobicContact CD1-CD1 4.48Å; L69-L71 HydrophobicContact CD1-CD2 4.01Å; L69-L71 HydrophobicContact CD1-CG 4.04Å; L69-L71 HydrophobicContact CD2-CD1 3.92Å; L69-L71 HydrophobicContact CD2-CG 4.33Å; L69-L71 HydrophobicContact CG-CD1 4.03Å; L69-L71 HydrophobicContact CG-CD2 4.4Å; L69-L71 HydrophobicContact CG-CG 3.9Å; L69-L83 HydrophobicContact CD2-CD2 3.68Å; L69-L90 HydrophobicContact CB-CD1 3.61Å; L69-L90 HydrophobicContact CB-CD2 4.2Å; L69-L90 HydrophobicContact CD2-CD2 4.41Å; L69-Y92 PolarHBondContact N-O 3.31Å; L69-L93 HydrophobicContact CB-CD1 4.19Å; L69-L93 HydrophobicContact CD2-CD1 4.07Å; L69-L93 HydrophobicContact CG-CD1 4.08Å; L69-L93 WeakPolarHBondContact O-CA 3.19Å; L69-N94 PolarHBondContact O-N 2.93Å
70E97.5Very high95.5Very high27 Ų2733.4 Ų33.413%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-104115.6177.2-60.3-79.2175.600110F46 L47 S48 M49 K68 Y92 N94F46-E70 HydrophobicContact CE2-CG 3.78Å; F46-E70 HydrophobicContact CZ-CG 4.1Å; L47-E70 PolarHBondContact O-N 3.09Å; S48-E70 WeakPolarHBondContact OG-CB 3.21Å; M49-E70 PolarHBondContact N-O 2.97Å; K68-E70 WeakPolarHBondContact CE-OE1 3.05Å; K68-E70 IonicContact NZ-OE1 2.74Å; E70-Y92 WeakPolarHBondContact OE1-CE1 3.34Å; E70-N94 WeakPolarHBondContact OE2-CB 3.37Å; E70-N94 VanDerWaalsContact OE2-CG 3.26Å; E70-N94 PolarHBondContact OE2-ND2 2.94Å
71L96.9Very high95.5Very high0 Ų038.2 Ų38.20%021%0.21CC..  trans-125.326.1179.4-62.4172.6000111.5M49 L54 L57 L69 N74 I76 L93 N94 L95 N98M49-L71 HydrophobicContact CB-CD2 4.14Å; M49-L71 HydrophobicContact CE-CD2 3.53Å; L54-L71 HydrophobicContact CD2-CD2 4.12Å; L57-L71 HydrophobicContact CD1-CD1 4.18Å; L57-L71 HydrophobicContact CD2-CD1 3.79Å; L57-L71 HydrophobicContact CD2-CD2 4.35Å; L69-L71 HydrophobicContact CD1-CD1 4.48Å; L69-L71 HydrophobicContact CD1-CD2 4.01Å; L69-L71 HydrophobicContact CD1-CG 4.04Å; L69-L71 HydrophobicContact CD2-CD1 3.92Å; L69-L71 HydrophobicContact CD2-CG 4.33Å; L69-L71 HydrophobicContact CG-CD1 4.03Å; L69-L71 HydrophobicContact CG-CD2 4.4Å; L69-L71 HydrophobicContact CG-CG 3.9Å; L71-N74 VanDerWaalsContact C-ND2 3.3Å; L71-N74 PolarHBondContact O-ND2 3.13Å; L71-I76 HydrophobicContact CB-CD1 4.12Å; L71-I76 HydrophobicContact CD1-CD1 3.95Å; L71-I76 HydrophobicContact CG-CD1 4.48Å; L71-L93 HydrophobicContact CD1-CD1 4.22Å; L71-N94 CarbonylContact C-O 3.38Å; L71-N94 WeakPolarHBondContact CA-O 3.48Å; L71-N94 WeakPolarHBondContact CB-O 3.5Å; L71-N94 PolarHBondContact N-O 2.95Å; L71-L95 HydrophobicContact CB-CD2 4.1Å; L71-L95 HydrophobicContact CD1-CD2 3.92Å; L71-N98 PolarHBondContact O-ND2 2.9Å
72S96.9Very high95.5Very high18 Ų1839 Ų3913%0.12622%0.215CC..THydrogen-bonded Turntrans-60.7151.1-17853.70000112.9A50 N51 N74 S96A50-S72 CarbonylContact C-O 3.38Å; A50-S72 VanDerWaalsContact CA-O 3.29Å; A50-S72 WeakPolarHBondContact CA-O 3.18Å; A50-S72 VanDerWaalsContact CB-OG 3.3Å; A50-S72 WeakPolarHBondContact CB-OG 3.38Å; N51-S72 PolarHBondContact N-O 3.4Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 2.78Å; S72-N74 PolarHBondContact O-ND2 3.35Å; S72-S96 CarbonylContact C-O 3.51Å; S72-S96 VanDerWaalsContact CA-O 3.24Å; S72-S96 WeakPolarHBondContact CA-O 3.45Å; S72-S96 VanDerWaalsContact CB-OG 3.25Å; S72-S96 WeakPolarHBondContact CB-OG 3.4Å
73D96.3Very high95.6Very high92 Ų9237 Ų3749%0.49220%0.201SC..THydrogen-bonded Turntrans55.340.8176.6-65.1-41.5000114.4N51 S96N51-D73 WeakPolarHBondContact CA-O 3.37Å; N51-D73 HydrophobicContact CB-CB 4.08Å; D73-S96 PolarHBondContact N-O 2.85Å
74N96.6Very high95.4Very high4 Ų438.1 Ų38.12%0.02121%0.21CC..  trans-107.9-171172.6-75.3-64.3000111.4M49 V52 E53 L54 L71 S72 I76 N98M49-N74 PolarHBondContact O-ND2 2.98Å; V52-N74 WeakPolarHBondContact CG2-OD1 3.5Å; V52-N74 PolarHBondContact N-OD1 3.02Å; V52-N74 VanDerWaalsContact N-OD1 3.09Å; E53-N74 PolarHBondContact N-OD1 3.38Å; L54-N74 HydrophobicContact CB-CB 4.08Å; L54-N74 WeakPolarHBondContact CB-OD1 3.02Å; L54-N74 PolarHBondContact N-OD1 3.15Å; L71-N74 VanDerWaalsContact C-ND2 3.3Å; L71-N74 PolarHBondContact O-ND2 3.13Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-N74 PolarHBondContact O-N 2.78Å; S72-N74 PolarHBondContact O-ND2 3.35Å; N74-I76 HydrophobicContact CB-CD1 4.37Å; N74-I76 HydrophobicContact CB-CG1 4.22Å; N74-N98 WeakPolarHBondContact CA-OD1 3.25Å; N74-N98 WeakPolarHBondContact CB-OD1 3.27Å; N74-N98 PolarHBondContact O-OD1 3.05Å
75I95.9Very high95.4Very high86 Ų8641 Ų4144%0.44122%0.221SC..  trans-117.228.7-179.758170.8000112.1L54 S77 N98L54-I75 CarbonylContact O-C 3.42Å; L54-I75 WeakPolarHBondContact O-CA 3.2Å; L54-I75 WeakPolarHBondContact O-CG1 3.38Å; L54-I75 PolarHBondContact O-N 3.37Å; I75-S77 PolarHBondContact O-N 3.15Å; I75-N98 PolarHBondContact N-OD1 3.42Å
76I95.8Very high95.4Very high0 Ų040.1 Ų40.10%022%0.217CC..  trans-69.3129.6179.8-56.3169.5000109L54 L57 L71 N74 L80 L95 N98 K99L54-I76 HydrophobicContact CD2-CD1 4.27Å; L54-I76 PolarHBondContact O-N 3.23Å; L57-I76 HydrophobicContact CD1-CD1 4.47Å; L57-I76 HydrophobicContact CD2-CD1 4.34Å; L57-I76 HydrophobicContact CG-CD1 4.36Å; L71-I76 HydrophobicContact CB-CD1 4.12Å; L71-I76 HydrophobicContact CD1-CD1 3.95Å; L71-I76 HydrophobicContact CG-CD1 4.48Å; N74-I76 HydrophobicContact CB-CD1 4.37Å; N74-I76 HydrophobicContact CB-CG1 4.22Å; I76-L80 HydrophobicContact CG2-CD2 4.11Å; I76-L95 HydrophobicContact CD1-CD2 4.16Å; I76-N98 HydrophobicContact CB-CB 4.38Å; I76-N98 VanDerWaalsContact CB-OD1 3.27Å; I76-N98 WeakPolarHBondContact CB-OD1 3.4Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.29Å; I76-N98 PolarHBondContact N-OD1 3.35Å; I76-K99 CarbonylContact O-C 3.38Å; I76-K99 WeakPolarHBondContact O-CA 3.37Å; I76-K99 PolarHBondContact O-N 3.49Å
77S94.7Very high95.3Very high72 Ų7240.1 Ų40.150%0.50322%0.217SC..  trans-122.9-2.3176.865.70000113.8I75 K99I75-S77 PolarHBondContact O-N 3.15Å; S77-K99 WeakPolarHBondContact CA-O 3.4Å; S77-K99 WeakPolarHBondContact CB-O 3.14Å
78G93.8Very high95.3Very high23 Ų2339.1 Ų39.124%0.23722%0.22CC..SBendtrans176.4-167.5-175.200000113L80G78-L80 VanDerWaalsContact C-N 3.31Å
79G92.6Very high95.2Very high27 Ų2739 Ų3928%0.27822%0.222SC..  trans7422.4179.900000113.7E81 V82G79-E81 WeakPolarHBondContact CA-OE2 3.4Å; G79-E81 PolarHBondContact O-N 2.79Å; G79-V82 PolarHBondContact O-N 3.4Å
80L94.9Very high95.1Very high1 Ų139 Ų391%0.00522%0.222CC..THydrogen-bonded Turntrans-72.5-18.4-177.7-60.4-174.3000112.2L57 I76 G78 V82 L83 L95 I100 T105 A108 L109L57-L80 HydrophobicContact CD1-CD2 4Å; I76-L80 HydrophobicContact CG2-CD2 4.11Å; G78-L80 VanDerWaalsContact C-N 3.31Å; L80-V82 PolarHBondContact O-N 2.58Å; L80-V82 VanDerWaalsContact O-N 3.16Å; L80-L83 HydrophobicContact CD2-CD1 4.29Å; L80-L83 VanDerWaalsContact O-CB 3.29Å; L80-L83 WeakPolarHBondContact O-CB 3.38Å; L80-L83 PolarHBondContact O-N 3.21Å; L80-L95 HydrophobicContact CD1-CD1 3.93Å; L80-L95 HydrophobicContact CD2-CD1 4.04Å; L80-L95 HydrophobicContact CD2-CD2 4.25Å; L80-I100 HydrophobicContact CD1-CD1 4.39Å; L80-T105 HydrophobicContact CD1-CG2 3.94Å; L80-T105 HydrophobicContact CG-CG2 4.27Å; L80-A108 HydrophobicContact CB-CB 4.12Å; L80-L109 HydrophobicContact CB-CD2 3.79Å; L80-L109 HydrophobicContact CB-CG 4.38Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.06Å; L80-L109 HydrophobicContact CD1-CG 4.07Å; L80-L109 HydrophobicContact CG-CD2 4.45Å
81E94.1Very high95.1Very high105 Ų10539 Ų3949%0.49122%0.223SC..Hα-helixtrans-57.6-28.2175.861.9-84.7-164.700112.8G79 L83 A84 A108G79-E81 WeakPolarHBondContact CA-OE2 3.4Å; G79-E81 PolarHBondContact O-N 2.79Å; E81-L83 PolarHBondContact O-N 3.41Å; E81-A84 PolarHBondContact O-N 3.23Å; E81-A108 HydrophobicContact CB-CB 4.07Å
82V94.4Very high95.1Very high26 Ų2641.1 Ų41.116%0.15823%0.232CC..Hα-helixtrans-61.8-31.5176.8-179.70000111.2G79 L80 A84 E85 K86G79-V82 PolarHBondContact O-N 3.4Å; L80-V82 PolarHBondContact O-N 2.58Å; L80-V82 VanDerWaalsContact O-N 3.16Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.18Å; V82-E85 PolarHBondContact O-N 3Å; V82-K86 HydrophobicContact CG1-CG 3.62Å; V82-K86 WeakPolarHBondContact O-CB 3.37Å; V82-K86 VanDerWaalsContact O-CG 3.32Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 3.23Å
83L95.3Very high95.1Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-62.9-38.1179.6-63.9175.5000111.5L57 L60 L69 L80 E81 E85 K86 C87 L93 L109 L112L57-L83 HydrophobicContact CD1-CD1 4.11Å; L57-L83 HydrophobicContact CD1-CD2 3.91Å; L57-L83 HydrophobicContact CD1-CG 3.96Å; L60-L83 HydrophobicContact CD2-CD2 3.84Å; L69-L83 HydrophobicContact CD2-CD2 3.68Å; L80-L83 HydrophobicContact CD2-CD1 4.29Å; L80-L83 VanDerWaalsContact O-CB 3.29Å; L80-L83 WeakPolarHBondContact O-CB 3.38Å; L80-L83 PolarHBondContact O-N 3.21Å; E81-L83 PolarHBondContact O-N 3.41Å; L83-E85 VanDerWaalsContact C-N 3.27Å; L83-E85 PolarHBondContact O-N 2.76Å; L83-K86 PolarHBondContact O-N 3.33Å; L83-C87 CarbonylContact O-C 3.41Å; L83-C87 WeakPolarHBondContact O-CA 3.29Å; L83-C87 PolarHBondContact O-N 3.44Å; L83-L93 HydrophobicContact CD1-CD1 4.24Å; L83-L93 HydrophobicContact CD1-CD2 3.68Å; L83-L109 HydrophobicContact CD1-CD2 4.06Å; L83-L112 HydrophobicContact CB-CD1 4.07Å; L83-L112 HydrophobicContact CB-CD2 4.44Å
84A92.3Very high95.2Very high25 Ų2536.5 Ų36.521%0.20721%0.206CC..Hα-helixtrans-65-32.517800000112.6E81 V82 N111 L112E81-A84 PolarHBondContact O-N 3.23Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.18Å; A84-N111 HydrophobicContact CB-CB 3.61Å; A84-L112 HydrophobicContact CB-CD2 4.29Å; A84-L112 HydrophobicContact CB-CG 4.35Å
85E92.9Very high95.2Very high148 Ų14836.3 Ų36.369%0.69221%0.205SC*.Hα-helixtrans-81.6-36.1177.7-62.8-174.1172.500112.8V82 L83V82-E85 PolarHBondContact O-N 3Å; L83-E85 VanDerWaalsContact C-N 3.27Å; L83-E85 PolarHBondContact O-N 2.76Å
86K94.5Very high95.3Very high64 Ų6433.1 Ų33.128%0.27819%0.19SC..Hα-helixtrans-95.6-30.6-171.1-63.4-56.7-176.3-1750114.1L60 L63 V82 L83L60-K86 HydrophobicContact CD2-CB 4.16Å; L60-K86 WeakPolarHBondContact O-CD 3.49Å; L60-K86 WeakPolarHBondContact O-CE 3.15Å; L63-K86 CarbonylContact C-O 3.59Å; L63-K86 PolarHBondContact N-O 2.68Å; V82-K86 HydrophobicContact CG1-CG 3.62Å; V82-K86 WeakPolarHBondContact O-CB 3.37Å; V82-K86 VanDerWaalsContact O-CG 3.32Å; V82-K86 WeakPolarHBondContact O-CG 3.38Å; V82-K86 PolarHBondContact O-N 3.23Å; L83-K86 PolarHBondContact O-N 3.33Å
87C95.8Very high95.3Very high0 Ų033.6 Ų33.60%020%0.195CC..  trans-132.663.1-174.1-57.80000110.2L66 L83 N89 L90 L112L66-C87 HydrophobicContact CD2-CB 4.4Å; L83-C87 CarbonylContact O-C 3.41Å; L83-C87 WeakPolarHBondContact O-CA 3.29Å; L83-C87 PolarHBondContact O-N 3.44Å; C87-N89 PolarHBondContact O-N 2.99Å; C87-L90 HydrophobicContact CB-CB 4.29Å; C87-L90 WeakPolarHBondContact O-CB 3.13Å; C87-L90 PolarHBondContact O-N 2.88Å; C87-L112 WeakPolarHBondContact O-CD2 3.32Å
88P94.7Very high95.4Very high48 Ų4830.3 Ų30.331%0.31217%0.171SC..THydrogen-bonded Turntrans-65.1-22.2-172.326.9-36.4000114.1N114P88-N114 PolarHBondContact O-ND2 3.38Å
89N95.3Very high95.5Very high54 Ų5433.9 Ų33.929%0.28918%0.181SC..THydrogen-bonded Turntrans-98.915.5-178.4-64.5-40.2000113.5N64 L66 R67 C87 T91 N114N64-N89 PolarHBondContact O-ND2 3.04Å; L66-N89 CarbonylContact O-C 3.23Å; R67-N89 WeakPolarHBondContact CD-O 3.46Å; C87-N89 PolarHBondContact O-N 2.99Å; N89-T91 PolarHBondContact O-N 2.99Å; N89-N114 PolarHBondContact OD1-ND2 3.41Å
90L96.6Very high95.7Very high0 Ų032.6 Ų32.60%017%0.167CC..  trans-65.7125.9-179.4-163.373.9000111.1L66 R67 L69 C87 L93 L112 N114 L115L66-L90 HydrophobicContact CD2-CD1 4.06Å; L66-L90 HydrophobicContact CG-CD1 4.14Å; L66-L90 WeakPolarHBondContact O-CA 3.47Å; L66-L90 PolarHBondContact O-N 3Å; R67-L90 VanDerWaalsContact O-CD1 3.3Å; R67-L90 WeakPolarHBondContact O-CD1 3.25Å; L69-L90 HydrophobicContact CB-CD1 3.61Å; L69-L90 HydrophobicContact CB-CD2 4.2Å; L69-L90 HydrophobicContact CD2-CD2 4.41Å; C87-L90 HydrophobicContact CB-CB 4.29Å; C87-L90 WeakPolarHBondContact O-CB 3.13Å; C87-L90 PolarHBondContact O-N 2.88Å; L90-L93 HydrophobicContact CD2-CB 3.93Å; L90-L93 HydrophobicContact CD2-CD1 4.18Å; L90-L93 HydrophobicContact CD2-CD2 4.4Å; L90-L93 HydrophobicContact CD2-CG 4.4Å; L90-L112 HydrophobicContact CB-CD2 4.37Å; L90-L112 HydrophobicContact CD2-CD1 4.45Å; L90-N114 CarbonylContact O-C 3.53Å; L90-N114 VanDerWaalsContact O-C 3.23Å; L90-L115 HydrophobicContact CD2-CD1 4.34Å; L90-L115 HydrophobicContact CG-CD1 4.39Å; L90-L115 VanDerWaalsContact O-CA 3.29Å; L90-L115 WeakPolarHBondContact O-CA 3.36Å; L90-L115 PolarHBondContact O-N 3.12Å
91T96.6Very high95.7Very high26 Ų2637.1 Ų37.116%0.1619%0.187CC..  trans-106.7-29.7179.256.70000112.2R67 N89 N114 K116 S117R67-T91 PolarHBondContact O-N 2.91Å; R67-T91 PolarHBondContact O-OG1 3.06Å; R67-T91 VanDerWaalsContact O-OG1 3.09Å; N89-T91 PolarHBondContact O-N 2.99Å; T91-N114 WeakPolarHBondContact CA-O 3.38Å; T91-K116 PolarHBondContact O-N 3Å; T91-S117 PolarHBondContact O-N 3.1Å
92Y97.1Very high95.6Very high45 Ų4536.7 Ų36.718%0.17619%0.188CC..EExtended strand (participates in β ladder)trans-128.8130179-178.9-77.6000111.3R67 K68 L69 E70 N94 S117R67-Y92 PolarHBondContact O-N 3.27Å; K68-Y92 HydrophobicContact CD-CD1 4.14Å; K68-Y92 HydrophobicContact CD-CG 4.38Å; K68-Y92 HydrophobicContact CG-CD1 3.56Å; K68-Y92 HydrophobicContact CG-CE1 4.3Å; K68-Y92 HydrophobicContact CG-CG 4Å; L69-Y92 PolarHBondContact N-O 3.31Å; E70-Y92 WeakPolarHBondContact OE1-CE1 3.34Å; Y92-N94 HydrophobicContact CE1-CB 3.78Å; Y92-S117 WeakPolarHBondContact CA-O 3.28Å; Y92-S117 WeakPolarHBondContact CD2-OG 3.39Å; Y92-S117 WeakPolarHBondContact CE2-OG 3.41Å
93L97.6Very high95.5Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-133.9122.6175.9178.158.1000111L69 L71 L83 L90 L95 L109 L115 S117 L118 D119L69-L93 HydrophobicContact CB-CD1 4.19Å; L69-L93 HydrophobicContact CD2-CD1 4.07Å; L69-L93 HydrophobicContact CG-CD1 4.08Å; L69-L93 WeakPolarHBondContact O-CA 3.19Å; L71-L93 HydrophobicContact CD1-CD1 4.22Å; L83-L93 HydrophobicContact CD1-CD1 4.24Å; L83-L93 HydrophobicContact CD1-CD2 3.68Å; L90-L93 HydrophobicContact CD2-CB 3.93Å; L90-L93 HydrophobicContact CD2-CD1 4.18Å; L90-L93 HydrophobicContact CD2-CD2 4.4Å; L90-L93 HydrophobicContact CD2-CG 4.4Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.45Å; L93-L95 HydrophobicContact CD1-CG 4.08Å; L93-L95 HydrophobicContact CD2-CD1 3.7Å; L93-L95 HydrophobicContact CD2-CG 4.19Å; L93-L95 HydrophobicContact CG-CD1 4Å; L93-L95 HydrophobicContact CG-CG 3.94Å; L93-L109 HydrophobicContact CD2-CD1 4.12Å; L93-L109 HydrophobicContact CD2-CD2 3.88Å; L93-L115 HydrophobicContact CB-CD1 3.74Å; L93-S117 PolarHBondContact N-O 2.92Å; L93-L118 HydrophobicContact CB-CD1 4.21Å; L93-L118 HydrophobicContact CD2-CD1 4.11Å; L93-L118 HydrophobicContact CG-CD1 4.12Å; L93-L118 WeakPolarHBondContact O-CA 3.29Å; L93-D119 PolarHBondContact O-N 3.41Å
94N97.6Very high95.4Very high13 Ų1341.9 Ų41.97%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-108.2117.7171.1-169.9-16.2000111L69 E70 L71 Y92 S96 D119L69-N94 PolarHBondContact O-N 2.93Å; E70-N94 WeakPolarHBondContact OE2-CB 3.37Å; E70-N94 VanDerWaalsContact OE2-CG 3.26Å; E70-N94 PolarHBondContact OE2-ND2 2.94Å; L71-N94 CarbonylContact C-O 3.38Å; L71-N94 WeakPolarHBondContact CA-O 3.48Å; L71-N94 WeakPolarHBondContact CB-O 3.5Å; L71-N94 PolarHBondContact N-O 2.95Å; Y92-N94 HydrophobicContact CE1-CB 3.78Å; N94-S96 WeakPolarHBondContact OD1-CB 3.48Å; N94-S96 PolarHBondContact OD1-N 2.92Å; N94-S96 PolarHBondContact OD1-OG 2.6Å; N94-D119 HydrophobicContact CB-CB 4.23Å
95L97.4Very high95.4Very high0 Ų042 Ų420%022%0.219CC..  trans-118.117176.2-72.7166.9000111.4L71 I76 L80 L93 N98 I100 L109 L118 D119 L120 C123L71-L95 HydrophobicContact CB-CD2 4.1Å; L71-L95 HydrophobicContact CD1-CD2 3.92Å; I76-L95 HydrophobicContact CD1-CD2 4.16Å; L80-L95 HydrophobicContact CD1-CD1 3.93Å; L80-L95 HydrophobicContact CD2-CD1 4.04Å; L80-L95 HydrophobicContact CD2-CD2 4.25Å; L93-L95 HydrophobicContact CD1-CD1 4.48Å; L93-L95 HydrophobicContact CD1-CD2 4.45Å; L93-L95 HydrophobicContact CD1-CG 4.08Å; L93-L95 HydrophobicContact CD2-CD1 3.7Å; L93-L95 HydrophobicContact CD2-CG 4.19Å; L93-L95 HydrophobicContact CG-CD1 4Å; L93-L95 HydrophobicContact CG-CG 3.94Å; L95-N98 VanDerWaalsContact C-ND2 3.31Å; L95-N98 VanDerWaalsContact O-CB 3.27Å; L95-N98 WeakPolarHBondContact O-CB 3.44Å; L95-N98 PolarHBondContact O-N 3.17Å; L95-N98 PolarHBondContact O-ND2 3.13Å; L95-I100 HydrophobicContact CB-CD1 3.84Å; L95-I100 HydrophobicContact CD1-CD1 3.82Å; L95-I100 HydrophobicContact CD2-CD1 4.48Å; L95-I100 HydrophobicContact CG-CD1 4.27Å; L95-L109 HydrophobicContact CD1-CD1 4.46Å; L95-L118 HydrophobicContact CD1-CD1 4.32Å; L95-D119 CarbonylContact C-O 3.56Å; L95-D119 WeakPolarHBondContact CA-O 3.43Å; L95-D119 PolarHBondContact N-O 3.16Å; L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.25Å; L95-C123 PolarHBondContact O-SG 3.02Å
96S97.4Very high95.4Very high18 Ų1835 Ų3513%0.12619%0.186CC..THydrogen-bonded Turntrans-55.3147.3179.461.70000112.7S72 D73 N94 N98 D119 F121S72-S96 CarbonylContact C-O 3.51Å; S72-S96 VanDerWaalsContact CA-O 3.24Å; S72-S96 WeakPolarHBondContact CA-O 3.45Å; S72-S96 VanDerWaalsContact CB-OG 3.25Å; S72-S96 WeakPolarHBondContact CB-OG 3.4Å; D73-S96 PolarHBondContact N-O 2.85Å; N94-S96 WeakPolarHBondContact OD1-CB 3.48Å; N94-S96 PolarHBondContact OD1-N 2.92Å; N94-S96 PolarHBondContact OD1-OG 2.6Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-N98 VanDerWaalsContact O-N 3.17Å; S96-N98 PolarHBondContact O-ND2 3.21Å; S96-D119 PolarHBondContact N-O 3.13Å; S96-F121 CarbonylContact C-O 3.55Å; S96-F121 WeakPolarHBondContact CA-O 3.43Å; S96-F121 WeakPolarHBondContact CB-O 3.5Å
97G96.3Very high95.4Very high11 Ų1136.6 Ų36.611%0.11320%0.195CC..THydrogen-bonded Turntrans69.78.3179.100000115.8F121G97-F121 PolarHBondContact N-O 3.33Å
98N97.6Very high95.2Very high2 Ų237.5 Ų37.51%0.01120%0.202CC..SBendtrans-85.8-177.5176.7-78-83.4000113.3L71 N74 I75 I76 L95 S96 I100L71-N98 PolarHBondContact O-ND2 2.9Å; N74-N98 WeakPolarHBondContact CA-OD1 3.25Å; N74-N98 WeakPolarHBondContact CB-OD1 3.27Å; N74-N98 PolarHBondContact O-OD1 3.05Å; I75-N98 PolarHBondContact N-OD1 3.42Å; I76-N98 HydrophobicContact CB-CB 4.38Å; I76-N98 VanDerWaalsContact CB-OD1 3.27Å; I76-N98 WeakPolarHBondContact CB-OD1 3.4Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.29Å; I76-N98 PolarHBondContact N-OD1 3.35Å; L95-N98 VanDerWaalsContact C-ND2 3.31Å; L95-N98 VanDerWaalsContact O-CB 3.27Å; L95-N98 WeakPolarHBondContact O-CB 3.44Å; L95-N98 PolarHBondContact O-N 3.17Å; L95-N98 PolarHBondContact O-ND2 3.13Å; S96-N98 PolarHBondContact O-N 3.11Å; S96-N98 VanDerWaalsContact O-N 3.17Å; S96-N98 PolarHBondContact O-ND2 3.21Å; N98-I100 HydrophobicContact CB-CD1 4.44Å; N98-I100 HydrophobicContact CB-CG1 4.35Å
99K95.9Very high95.2Very high99 Ų9935.3 Ų35.343%0.4319%0.188SC..  trans-101.740-177.4-58-55.1178.4-158.40112.7I76 S77I76-K99 CarbonylContact O-C 3.38Å; I76-K99 WeakPolarHBondContact O-CA 3.37Å; I76-K99 PolarHBondContact O-N 3.49Å; S77-K99 WeakPolarHBondContact CA-O 3.4Å; S77-K99 WeakPolarHBondContact CB-O 3.14Å
100I95.9Very high95.2Very high0 Ų035.6 Ų35.60%019%0.187CC..  trans-82.9120177.3-58.6170.3000108.6L80 L95 N98 T105 V106 L120 C123 E124 I125L80-I100 HydrophobicContact CD1-CD1 4.39Å; L95-I100 HydrophobicContact CB-CD1 3.84Å; L95-I100 HydrophobicContact CD1-CD1 3.82Å; L95-I100 HydrophobicContact CD2-CD1 4.48Å; L95-I100 HydrophobicContact CG-CD1 4.27Å; N98-I100 HydrophobicContact CB-CD1 4.44Å; N98-I100 HydrophobicContact CB-CG1 4.35Å; I100-T105 HydrophobicContact CG2-CG2 4.18Å; I100-V106 HydrophobicContact CG2-CG2 3.81Å; I100-L120 HydrophobicContact CD1-CD2 3.54Å; I100-C123 HydrophobicContact CB-CB 4.24Å; I100-E124 PolarHBondContact O-N 3.35Å; I100-I125 HydrophobicContact CG2-CB 4.38Å; I100-I125 HydrophobicContact CG2-CD1 4.3Å; I100-I125 HydrophobicContact CG2-CG2 4.21Å; I100-I125 PolarHBondContact O-N 2.91Å
101K93.8Very high95Very high95 Ų9540.6 Ų40.641%0.41321%0.214SC..  trans-113.1-42.1-174-51.9-171.2-177.4-1270113.1E124K101-E124 HydrophobicContact CB-CB 4.32Å; K101-E124 WeakPolarHBondContact CD-OE2 3.18Å; K101-E124 VanDerWaalsContact CE-CD 3.43Å; K101-E124 WeakPolarHBondContact CE-OE1 3.24Å; K101-E124 VanDerWaalsContact CE-OE2 3.23Å; K101-E124 WeakPolarHBondContact CE-OE2 3.49Å; K101-E124 HydrophobicContact CG-CB 3.95Å; K101-E124 HydrophobicContact CG-CG 4.34Å; K101-E124 IonicContact NZ-OE1 2.99Å; K101-E124 PolarHBondContact NZ-OE1 2.77Å; K101-E124 IonicContact NZ-OE2 2.85Å; K101-E124 PolarHBondContact NZ-OE2 3.44Å
102D92.1Very high94.9Very high96 Ų9639.4 Ų39.451%0.51321%0.207SC..  trans-113.5147-166.8-58.3-68.3000111.7S104 T105D102-S104 WeakPolarHBondContact CB-OG 3.39Å; D102-S104 PolarHBondContact O-N 3.25Å; D102-T105 WeakPolarHBondContact O-CB 3.27Å; D102-T105 PolarHBondContact O-N 2.87Å; D102-T105 VanDerWaalsContact O-N 3.13Å
103L93.4Very high94.7Very high58 Ų5844 Ų4430%0.30423%0.227SC..Hα-helixtrans-59.8-30.4174-72.8167.4000112.5T105 V106 E107 I125 L128 I135 L138L103-T105 PolarHBondContact O-N 2.85Å; L103-V106 PolarHBondContact O-N 2.86Å; L103-E107 PolarHBondContact O-N 3.06Å; L103-I125 HydrophobicContact CD2-CD1 4.07Å; L103-I125 HydrophobicContact CG-CD1 4.46Å; L103-L128 HydrophobicContact CG-CD1 4.27Å; L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.24Å; L103-L138 HydrophobicContact CB-CD2 4.48Å; L103-L138 HydrophobicContact CD2-CD2 4.47Å
104S92.1Very high94.6Very high78 Ų7847.4 Ų47.455%0.54525%0.246SC..Hα-helixtrans-61.8-31.1176.853.50000113D102 V106 E107D102-S104 WeakPolarHBondContact CB-OG 3.39Å; D102-S104 PolarHBondContact O-N 3.25Å; S104-V106 VanDerWaalsContact C-N 3.33Å; S104-E107 WeakPolarHBondContact O-CB 3.4Å
105T92.4Very high94.5Very high27 Ų2746.8 Ų46.817%0.16624%0.243CC..Hα-helixtrans-67.6-39.1174.3-65.10000110.9L80 I100 D102 L103L80-T105 HydrophobicContact CD1-CG2 3.94Å; L80-T105 HydrophobicContact CG-CG2 4.27Å; I100-T105 HydrophobicContact CG2-CG2 4.18Å; D102-T105 WeakPolarHBondContact O-CB 3.27Å; D102-T105 PolarHBondContact O-N 2.87Å; D102-T105 VanDerWaalsContact O-N 3.13Å; L103-T105 PolarHBondContact O-N 2.85Å
106V94.3Very high94.5Very high0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-77.1-26.8-178.6-178.60000111.8I100 L103 S104 A108 L109 L118 L120 I125 I135 L138 L139I100-V106 HydrophobicContact CG2-CG2 3.81Å; L103-V106 PolarHBondContact O-N 2.86Å; S104-V106 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 3.37Å; V106-A108 VanDerWaalsContact O-N 3.1Å; V106-L109 HydrophobicContact CG1-CD1 4.15Å; V106-L109 VanDerWaalsContact O-CB 3.28Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 3.39Å; V106-L118 HydrophobicContact CG1-CD2 4.4Å; V106-L120 HydrophobicContact CG2-CD1 4.2Å; V106-I125 HydrophobicContact CG2-CD1 3.6Å; V106-I135 HydrophobicContact CB-CD1 4.28Å; V106-I135 HydrophobicContact CG1-CD1 3.82Å; V106-I135 HydrophobicContact CG2-CD1 4.33Å; V106-L138 HydrophobicContact CB-CD2 4.49Å; V106-L139 HydrophobicContact CG1-CD1 3.62Å; V106-L139 HydrophobicContact CG1-CG 4.24Å
107E93.8Very high94.4Very high99 Ų9952.3 Ų52.346%0.46327%0.266SS..Hα-helixtrans-53.1-32.2175-173.2176.3-163.500112.5L103 S104 L109 Q110 L138L103-E107 PolarHBondContact O-N 3.06Å; S104-E107 WeakPolarHBondContact O-CB 3.4Å; E107-L109 PolarHBondContact O-N 2.95Å; E107-L109 VanDerWaalsContact O-N 3.12Å; E107-Q110 VanDerWaalsContact O-CB 3.23Å; E107-Q110 WeakPolarHBondContact O-CB 3.23Å; E107-Q110 VanDerWaalsContact O-CG 3.24Å; E107-Q110 WeakPolarHBondContact O-CG 3.33Å; E107-Q110 PolarHBondContact O-N 3.29Å; E107-L138 HydrophobicContact CB-CD1 4.35Å; E107-L138 HydrophobicContact CB-CD2 4.16Å; E107-L138 HydrophobicContact CG-CD1 4.19Å
108A91.9Very high94.5Very high19 Ų1951.8 Ų51.816%0.15726%0.261CS..G310 helixtrans-58.3-25.4175.200000113.8L80 E81 V106 Q110L80-A108 HydrophobicContact CB-CB 4.12Å; E81-A108 HydrophobicContact CB-CB 4.07Å; V106-A108 PolarHBondContact O-N 3.37Å; V106-A108 VanDerWaalsContact O-N 3.1Å; A108-Q110 VanDerWaalsContact C-N 3.28Å; A108-Q110 PolarHBondContact O-N 2.79Å
109L95.2Very high94.5Very high1 Ų153.1 Ų53.11%0.00527%0.268CS..G310 helixtrans-75.8-10.6177.2-56.7-179.3000113.1L80 L83 L93 L95 V106 E107 N111 L112 L118 L139 Q141L80-L109 HydrophobicContact CB-CD2 3.79Å; L80-L109 HydrophobicContact CB-CG 4.38Å; L80-L109 HydrophobicContact CD1-CD1 4.18Å; L80-L109 HydrophobicContact CD1-CD2 4.06Å; L80-L109 HydrophobicContact CD1-CG 4.07Å; L80-L109 HydrophobicContact CG-CD2 4.45Å; L83-L109 HydrophobicContact CD1-CD2 4.06Å; L93-L109 HydrophobicContact CD2-CD1 4.12Å; L93-L109 HydrophobicContact CD2-CD2 3.88Å; L95-L109 HydrophobicContact CD1-CD1 4.46Å; V106-L109 HydrophobicContact CG1-CD1 4.15Å; V106-L109 VanDerWaalsContact O-CB 3.28Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 PolarHBondContact O-N 3.39Å; E107-L109 PolarHBondContact O-N 2.95Å; E107-L109 VanDerWaalsContact O-N 3.12Å; L109-N111 PolarHBondContact O-N 3.01Å; L109-L112 HydrophobicContact CB-CD1 4.49Å; L109-L112 HydrophobicContact CD2-CD1 3.73Å; L109-L112 WeakPolarHBondContact O-CB 3.09Å; L109-L112 PolarHBondContact O-N 2.88Å; L109-L118 HydrophobicContact CD1-CD1 3.99Å; L109-L118 HydrophobicContact CD1-CD2 3.91Å; L109-L139 HydrophobicContact CB-CD1 4.22Å; L109-L139 HydrophobicContact CB-CD2 4.15Å; L109-L139 HydrophobicContact CD1-CD1 4.48Å; L109-Q141 PolarHBondContact O-NE2 3.37Å
110Q94.2Very high94.5Very high61 Ų6148.4 Ų48.429%0.28525%0.247SC..G310 helixtrans-56.6-23.8175.9-75.8-177.7-16.700113.7E107 A108 K113 L138 L139 Q141E107-Q110 VanDerWaalsContact O-CB 3.23Å; E107-Q110 WeakPolarHBondContact O-CB 3.23Å; E107-Q110 VanDerWaalsContact O-CG 3.24Å; E107-Q110 WeakPolarHBondContact O-CG 3.33Å; E107-Q110 PolarHBondContact O-N 3.29Å; A108-Q110 VanDerWaalsContact C-N 3.28Å; A108-Q110 PolarHBondContact O-N 2.79Å; Q110-K113 PolarHBondContact O-NZ 3.39Å; Q110-L138 WeakPolarHBondContact CG-O 3.32Å; Q110-L138 PolarHBondContact NE2-O 3.12Å; Q110-L139 HydrophobicContact CB-CD2 4.32Å; Q110-L139 HydrophobicContact CG-CD2 3.57Å; Q110-Q141 PolarHBondContact O-NE2 3.3Å
111N92.3Very high94.5Very high104 Ų10455.1 Ų55.156%0.55628%0.277SS*.G310 helixtrans-82.5-15.5-179.9-67.6-40.2000113.2A84 L109 K113A84-N111 HydrophobicContact CB-CB 3.61Å; L109-N111 PolarHBondContact O-N 3.01Å; N111-K113 PolarHBondContact O-N 2.81Å
112L95.1Very high94.5Very high2 Ų255.8 Ų55.81%0.0129%0.285CS..  trans-78.588171.9-68.1168.9000109.1L83 A84 C87 L90 L109 N114 L115 Q141L83-L112 HydrophobicContact CB-CD1 4.07Å; L83-L112 HydrophobicContact CB-CD2 4.44Å; A84-L112 HydrophobicContact CB-CD2 4.29Å; A84-L112 HydrophobicContact CB-CG 4.35Å; C87-L112 WeakPolarHBondContact O-CD2 3.32Å; L90-L112 HydrophobicContact CB-CD2 4.37Å; L90-L112 HydrophobicContact CD2-CD1 4.45Å; L109-L112 HydrophobicContact CB-CD1 4.49Å; L109-L112 HydrophobicContact CD2-CD1 3.73Å; L109-L112 WeakPolarHBondContact O-CB 3.09Å; L109-L112 PolarHBondContact O-N 2.88Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.22Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CD1-CD2 4.31Å; L112-L115 PolarHBondContact O-N 3.29Å; L112-Q141 WeakPolarHBondContact O-CG 3.41Å; L112-Q141 PolarHBondContact O-NE2 2.9Å
113K93.2Very high94.8Very high140 Ų14051.4 Ų51.461%0.60926%0.262SS*.THydrogen-bonded Turntrans-69-25.6-173.5-59.4-52-179.1-168.40113.9Q110 N111Q110-K113 PolarHBondContact O-NZ 3.39Å; N111-K113 PolarHBondContact O-N 2.81Å
114N94.7Very high94.8Very high73 Ų7352.5 Ų52.539%0.3927%0.265SS..THydrogen-bonded Turntrans-93.1-1.5-178.4-62.3-37.5000113.2P88 N89 L90 T91 L112 K116P88-N114 PolarHBondContact O-ND2 3.38Å; N89-N114 PolarHBondContact OD1-ND2 3.41Å; L90-N114 CarbonylContact O-C 3.53Å; L90-N114 VanDerWaalsContact O-C 3.23Å; T91-N114 WeakPolarHBondContact CA-O 3.38Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.22Å; N114-K116 PolarHBondContact O-N 3.18Å
115L96.6Very high95Very high0 Ų048.8 Ų48.80%024%0.239CC..  trans-69.8115.6-177.5-170.271.9000109.9L90 L93 L112 L118 Q141 I142L90-L115 HydrophobicContact CD2-CD1 4.34Å; L90-L115 HydrophobicContact CG-CD1 4.39Å; L90-L115 VanDerWaalsContact O-CA 3.29Å; L90-L115 WeakPolarHBondContact O-CA 3.36Å; L90-L115 PolarHBondContact O-N 3.12Å; L93-L115 HydrophobicContact CB-CD1 3.74Å; L112-L115 HydrophobicContact CB-CB 3.9Å; L112-L115 HydrophobicContact CD1-CD2 4.31Å; L112-L115 PolarHBondContact O-N 3.29Å; L115-L118 HydrophobicContact CD2-CB 4.48Å; L115-Q141 CarbonylContact O-C 3.55Å; L115-I142 HydrophobicContact CB-CG2 4.46Å; L115-I142 HydrophobicContact CD2-CG2 3.99Å; L115-I142 HydrophobicContact CG-CG2 4.12Å
116K95.9Very high95.1Very high119 Ų11949.6 Ų49.652%0.51724%0.244SC..  trans-101.8-36-179.9-64.6-178.7-177.5175.90112.1T91 N114 T143 Y144T91-K116 PolarHBondContact O-N 3Å; N114-K116 PolarHBondContact O-N 3.18Å; K116-T143 PolarHBondContact O-N 3.24Å; K116-Y144 PolarHBondContact O-N 3.34Å
117S96.4Very high95Very high15 Ų1555.9 Ų55.911%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-127.7129.9-176-178.50000111.7T91 Y92 L93 Y144T91-S117 PolarHBondContact O-N 3.1Å; Y92-S117 WeakPolarHBondContact CA-O 3.28Å; Y92-S117 WeakPolarHBondContact CD2-OG 3.39Å; Y92-S117 WeakPolarHBondContact CE2-OG 3.41Å; L93-S117 PolarHBondContact N-O 2.92Å; S117-Y144 WeakPolarHBondContact CA-O 3.46Å
118L97.4Very high95Very high0 Ų054.9 Ų54.90%028%0.275CS..EExtended strand (participates in β ladder)trans-129.1129.2177.3176.760.9000110.1L93 L95 V106 L109 L115 L120 L139 I142 Y144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.21Å; L93-L118 HydrophobicContact CD2-CD1 4.11Å; L93-L118 HydrophobicContact CG-CD1 4.12Å; L93-L118 WeakPolarHBondContact O-CA 3.29Å; L95-L118 HydrophobicContact CD1-CD1 4.32Å; V106-L118 HydrophobicContact CG1-CD2 4.4Å; L109-L118 HydrophobicContact CD1-CD1 3.99Å; L109-L118 HydrophobicContact CD1-CD2 3.91Å; L115-L118 HydrophobicContact CD2-CB 4.48Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-L120 HydrophobicContact CD1-CG 4.2Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.16Å; L118-L120 HydrophobicContact CG-CD1 4.17Å; L118-L120 HydrophobicContact CG-CG 3.99Å; L118-L139 HydrophobicContact CD2-CD1 3.66Å; L118-I142 HydrophobicContact CB-CD1 4.25Å; L118-I142 HydrophobicContact CD2-CD1 4.46Å; L118-Y144 PolarHBondContact N-O 3.35Å; L118-L145 HydrophobicContact CB-CD1 4.35Å; L118-L145 HydrophobicContact CD2-CD1 4.35Å; L118-L145 HydrophobicContact CG-CD1 4.27Å; L118-L145 CarbonylContact O-C 3.5Å; L118-L145 VanDerWaalsContact O-CA 3.31Å; L118-L145 WeakPolarHBondContact O-CA 3.29Å; L118-D146 PolarHBondContact O-N 3.09Å
119D97.4Very high95Very high29 Ų2962.5 Ų62.516%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-113.5123172-172.9-13.2000109.7L93 N94 L95 S96 F121L93-D119 PolarHBondContact O-N 3.41Å; N94-D119 HydrophobicContact CB-CB 4.23Å; L95-D119 CarbonylContact C-O 3.56Å; L95-D119 WeakPolarHBondContact CA-O 3.43Å; L95-D119 PolarHBondContact N-O 3.16Å; S96-D119 PolarHBondContact N-O 3.13Å; D119-F121 WeakPolarHBondContact OD1-CB 3.22Å; D119-F121 PolarHBondContact OD1-N 2.67Å
120L96.8Very high94.9Very high0 Ų067.5 Ų67.50%034%0.335CS..  trans-125.615178.3-72.4171.1000110.7L95 I100 V106 L118 C123 I125 T126 Y131 I135 L145 D146L95-L120 HydrophobicContact CB-CD2 3.91Å; L95-L120 HydrophobicContact CD1-CD2 4.25Å; I100-L120 HydrophobicContact CD1-CD2 3.54Å; V106-L120 HydrophobicContact CG2-CD1 4.2Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-L120 HydrophobicContact CD1-CG 4.2Å; L118-L120 HydrophobicContact CD2-CD1 3.8Å; L118-L120 HydrophobicContact CD2-CG 4.16Å; L118-L120 HydrophobicContact CG-CD1 4.17Å; L118-L120 HydrophobicContact CG-CG 3.99Å; L120-C123 WeakPolarHBondContact O-CB 3.4Å; L120-C123 PolarHBondContact O-N 3.48Å; L120-C123 VanDerWaalsContact O-N 3.13Å; L120-C123 PolarHBondContact O-SG 3.18Å; L120-C123 VanDerWaalsContact O-SG 3.35Å; L120-I125 HydrophobicContact CD1-CG2 4.48Å; L120-T126 WeakPolarHBondContact O-CG2 3.32Å; L120-Y131 WeakPolarHBondContact CB-OH 3.47Å; L120-Y131 HydrophobicContact CD1-CE2 4.32Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.4Å; L120-I135 HydrophobicContact CD1-CD1 4.17Å; L120-L145 HydrophobicContact CD1-CD1 4.39Å; L120-D146 PolarHBondContact N-OD1 2.92Å
121F95.2Very high94.9Very high141 Ų14165.4 Ų65.462%0.61832%0.324SS*.THydrogen-bonded Turntrans-53.5143.7-178-169.9-100.5000111.2S96 G97 D119 C123 D146S96-F121 CarbonylContact C-O 3.55Å; S96-F121 WeakPolarHBondContact CA-O 3.43Å; S96-F121 WeakPolarHBondContact CB-O 3.5Å; G97-F121 PolarHBondContact N-O 3.33Å; D119-F121 WeakPolarHBondContact OD1-CB 3.22Å; D119-F121 PolarHBondContact OD1-N 2.67Å; F121-C123 PolarHBondContact O-N 2.81Å; F121-C123 VanDerWaalsContact O-N 3.11Å; F121-D146 PolarHBondContact N-OD1 3.38Å
122N95.1Very high95Very high110 Ų11063.4 Ų63.459%0.58831%0.309SS*.THydrogen-bonded Turntrans59.122.1-179.5-165.341.7000114.6
123C96.6Very high95Very high4 Ų469.1 Ų69.13%0.02734%0.336CS..SBendtrans-89.5163.7163.6-68.60000111.1L95 I100 L120 F121 I125 T126L95-C123 PolarHBondContact O-SG 3.02Å; I100-C123 HydrophobicContact CB-CB 4.24Å; L120-C123 WeakPolarHBondContact O-CB 3.4Å; L120-C123 PolarHBondContact O-N 3.48Å; L120-C123 VanDerWaalsContact O-N 3.13Å; L120-C123 PolarHBondContact O-SG 3.18Å; L120-C123 VanDerWaalsContact O-SG 3.35Å; F121-C123 PolarHBondContact O-N 2.81Å; F121-C123 VanDerWaalsContact O-N 3.11Å; C123-I125 VanDerWaalsContact C-N 3.27Å; C123-I125 HydrophobicContact CB-CG2 3.83Å; C123-I125 PolarHBondContact O-N 3.11Å; C123-T126 PolarHBondContact O-N 2.92Å; C123-T126 PolarHBondContact O-OG1 2.85Å
124E94.9Very high95.1Very high80 Ų8064.1 Ų64.137%0.37432%0.318SS..G310 helixtrans-68.2-30.2179.1-67.5-178.9-134.300112.2I100 K101 T126 N127I100-E124 PolarHBondContact O-N 3.35Å; K101-E124 HydrophobicContact CB-CB 4.32Å; K101-E124 WeakPolarHBondContact CD-OE2 3.18Å; K101-E124 VanDerWaalsContact CE-CD 3.43Å; K101-E124 WeakPolarHBondContact CE-OE1 3.24Å; K101-E124 VanDerWaalsContact CE-OE2 3.23Å; K101-E124 WeakPolarHBondContact CE-OE2 3.49Å; K101-E124 HydrophobicContact CG-CB 3.95Å; K101-E124 HydrophobicContact CG-CG 4.34Å; K101-E124 IonicContact NZ-OE1 2.99Å; K101-E124 PolarHBondContact NZ-OE1 2.77Å; K101-E124 IonicContact NZ-OE2 2.85Å; K101-E124 PolarHBondContact NZ-OE2 3.44Å; E124-T126 PolarHBondContact O-N 2.84Å; E124-N127 WeakPolarHBondContact O-CB 3.41Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 VanDerWaalsContact O-N 3.15Å; E124-N127 PolarHBondContact O-ND2 3.28Å
125I95.3Very high95.2Very high0 Ų060.6 Ų60.60%030%0.299CS..G310 helixtrans-59-27.3178.1-162.9174.1000113.4I100 L103 V106 L120 C123 N127 L128 Y131 I135I100-I125 HydrophobicContact CG2-CB 4.38Å; I100-I125 HydrophobicContact CG2-CD1 4.3Å; I100-I125 HydrophobicContact CG2-CG2 4.21Å; I100-I125 PolarHBondContact O-N 2.91Å; L103-I125 HydrophobicContact CD2-CD1 4.07Å; L103-I125 HydrophobicContact CG-CD1 4.46Å; V106-I125 HydrophobicContact CG2-CD1 3.6Å; L120-I125 HydrophobicContact CD1-CG2 4.48Å; C123-I125 VanDerWaalsContact C-N 3.27Å; C123-I125 HydrophobicContact CB-CG2 3.83Å; C123-I125 PolarHBondContact O-N 3.11Å; I125-N127 PolarHBondContact O-N 3.21Å; I125-N127 VanDerWaalsContact O-N 3.15Å; I125-L128 HydrophobicContact CG1-CD1 3.67Å; I125-L128 HydrophobicContact CG1-CG 4.44Å; I125-L128 WeakPolarHBondContact O-CB 3.35Å; I125-L128 VanDerWaalsContact O-CG 3.29Å; I125-L128 WeakPolarHBondContact O-CG 3.46Å; I125-L128 PolarHBondContact O-N 3.06Å; I125-L128 VanDerWaalsContact O-N 3.13Å; I125-Y131 HydrophobicContact CB-CE2 4.47Å; I125-Y131 HydrophobicContact CD1-CE2 4.4Å; I125-Y131 HydrophobicContact CG1-CD2 4.08Å; I125-Y131 HydrophobicContact CG1-CE2 4.11Å; I125-Y131 HydrophobicContact CG2-CD2 4.42Å; I125-Y131 HydrophobicContact CG2-CE2 3.83Å; I125-Y131 VanDerWaalsContact O-CD2 3.31Å; I125-Y131 WeakPolarHBondContact O-CD2 3.36Å; I125-I135 HydrophobicContact CD1-CD1 4.03Å
126T93.9Very high95.1Very high44 Ų4461.6 Ų61.627%0.2730%0.304SS..G310 helixtrans-69.6-12.1-179.869.10000112.6L120 C123 E124 L128 Y131L120-T126 WeakPolarHBondContact O-CG2 3.32Å; C123-T126 PolarHBondContact O-N 2.92Å; C123-T126 PolarHBondContact O-OG1 2.85Å; E124-T126 PolarHBondContact O-N 2.84Å; T126-L128 VanDerWaalsContact C-N 3.34Å; T126-Y131 HydrophobicContact CG2-CE1 4.11Å; T126-Y131 HydrophobicContact CG2-CE2 4.46Å
127N94.2Very high95.1Very high133 Ų13362.9 Ų62.971%0.71131%0.312SS*.G310 helixtrans-86.6-4.2176.2-57.2-68.1000113.2E124 I125E124-N127 WeakPolarHBondContact O-CB 3.41Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 VanDerWaalsContact O-N 3.15Å; E124-N127 PolarHBondContact O-ND2 3.28Å; I125-N127 PolarHBondContact O-N 3.21Å; I125-N127 VanDerWaalsContact O-N 3.15Å
128L93Very high95Very high77 Ų7764 Ų6440%0.40332%0.316SS..SBendtrans-68.2143.4176.2-63.4178.7000110.4L103 I125 T126 Y131L103-L128 HydrophobicContact CG-CD1 4.27Å; I125-L128 HydrophobicContact CG1-CD1 3.67Å; I125-L128 HydrophobicContact CG1-CG 4.44Å; I125-L128 WeakPolarHBondContact O-CB 3.35Å; I125-L128 VanDerWaalsContact O-CG 3.29Å; I125-L128 WeakPolarHBondContact O-CG 3.46Å; I125-L128 PolarHBondContact O-N 3.06Å; I125-L128 VanDerWaalsContact O-N 3.13Å; T126-L128 VanDerWaalsContact C-N 3.34Å; L128-Y131 WeakPolarHBondContact O-CB 3.39Å; L128-Y131 PolarHBondContact O-N 2.88Å
129E91.4Very high94.9Very high179 Ų17964 Ų6484%0.83632%0.316SS*.THydrogen-bonded Turntrans-62.2139.8166.5-63.9-179.3175.700108.5Y131E129-Y131 PolarHBondContact O-N 2.98Å; E129-Y131 VanDerWaalsContact O-N 3.16Å
130D93.4Very high94.8Very high107 Ų10770.5 Ų70.557%0.57235%0.346SS*.THydrogen-bonded Turntrans56.329.7-179-48-36.1000114.3R132 E133 S134D130-R132 PolarHBondContact O-N 3.34Å; D130-E133 HydrophobicContact CB-CB 4.49Å; D130-E133 PolarHBondContact O-N 2.82Å; D130-S134 WeakPolarHBondContact O-CB 3.32Å; D130-S134 PolarHBondContact O-N 3.04Å; D130-S134 PolarHBondContact O-OG 3.43Å
131Y94.1Very high94.6Very high17 Ų1772.8 Ų72.87%0.06736%0.356CS..Hα-helixtrans-49.1-56-179.5161.3-109.4000113L120 I125 T126 L128 E129 E133 S134 I135 L145 D146L120-Y131 WeakPolarHBondContact CB-OH 3.47Å; L120-Y131 HydrophobicContact CD1-CE2 4.32Å; L120-Y131 WeakPolarHBondContact CD1-OH 3.4Å; I125-Y131 HydrophobicContact CB-CE2 4.47Å; I125-Y131 HydrophobicContact CD1-CE2 4.4Å; I125-Y131 HydrophobicContact CG1-CD2 4.08Å; I125-Y131 HydrophobicContact CG1-CE2 4.11Å; I125-Y131 HydrophobicContact CG2-CD2 4.42Å; I125-Y131 HydrophobicContact CG2-CE2 3.83Å; I125-Y131 VanDerWaalsContact O-CD2 3.31Å; I125-Y131 WeakPolarHBondContact O-CD2 3.36Å; T126-Y131 HydrophobicContact CG2-CE1 4.11Å; T126-Y131 HydrophobicContact CG2-CE2 4.46Å; L128-Y131 WeakPolarHBondContact O-CB 3.39Å; L128-Y131 PolarHBondContact O-N 2.88Å; E129-Y131 PolarHBondContact O-N 2.98Å; E129-Y131 VanDerWaalsContact O-N 3.16Å; Y131-E133 PolarHBondContact O-N 3.01Å; Y131-S134 PolarHBondContact O-N 3.5Å; Y131-I135 HydrophobicContact CD2-CD1 4.47Å; Y131-I135 HydrophobicContact CD2-CG1 3.83Å; Y131-I135 HydrophobicContact CE2-CD1 3.93Å; Y131-I135 HydrophobicContact CE2-CG1 3.46Å; Y131-I135 VanDerWaalsContact CE2-CG1 3.46Å; Y131-I135 WeakPolarHBondContact O-CG1 3.38Å; Y131-I135 PolarHBondContact O-N 2.96Å; Y131-L145 HydrophobicContact CE1-CD2 4.06Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.24Å
132R94.8Very high94.6Very high61 Ų6166.5 Ų66.523%0.2333%0.329CS..Hα-helixtrans-61.4-48.4-177.7-69.2-176.567.178.51.4111.5D130 S134 I135 F136 L145 F148 D149D130-R132 PolarHBondContact O-N 3.34Å; R132-S134 VanDerWaalsContact C-N 3.35Å; R132-S134 PolarHBondContact O-N 3.45Å; R132-I135 PolarHBondContact O-N 3.33Å; R132-F136 WeakPolarHBondContact O-CD2 3.47Å; R132-F136 PolarHBondContact O-N 2.95Å; R132-L145 HydrophobicContact CB-CD2 4.25Å; R132-L145 HydrophobicContact CG-CD2 4.09Å; R132-L145 PolarHBondContact NH1-O 2.84Å; R132-L145 PolarHBondContact NH2-O 2.7Å; R132-F148 PolarHBondContact NH2-O 3.48Å; R132-D149 PolarHBondContact NH2-O 2.99Å
133E94.6Very high94.7Very high123 Ų12364.5 Ų64.558%0.57532%0.321SS*.Hα-helixtrans-59.5-46.4179.9-63.1-174.9-178.400111.1D130 Y131 I135 F136 E137D130-E133 HydrophobicContact CB-CB 4.49Å; D130-E133 PolarHBondContact O-N 2.82Å; Y131-E133 PolarHBondContact O-N 3.01Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 2.91Å; E133-F136 PolarHBondContact O-N 3.16Å; E133-E137 WeakPolarHBondContact O-CB 3.44Å; E133-E137 WeakPolarHBondContact O-CG 3.23Å; E133-E137 PolarHBondContact O-N 2.97Å
134S95.5Very high94.7Very high34 Ų3467 Ų6724%0.23833%0.33CS..Hα-helixtrans-60.6-39.2178.1-600000112.4D130 Y131 R132 L138D130-S134 WeakPolarHBondContact O-CB 3.32Å; D130-S134 PolarHBondContact O-N 3.04Å; D130-S134 PolarHBondContact O-OG 3.43Å; Y131-S134 PolarHBondContact O-N 3.5Å; R132-S134 VanDerWaalsContact C-N 3.35Å; R132-S134 PolarHBondContact O-N 3.45Å; S134-L138 WeakPolarHBondContact O-CB 3.44Å; S134-L138 PolarHBondContact O-N 3.22Å
135I95.7Very high94.8Very high0 Ų063.2 Ų63.20%031%0.312CS..Hα-helixtrans-70.5-45.2178.8-65.1-74000111L103 V106 L120 I125 Y131 R132 E133 E137 L138 L139 I142 L145L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.24Å; V106-I135 HydrophobicContact CB-CD1 4.28Å; V106-I135 HydrophobicContact CG1-CD1 3.82Å; V106-I135 HydrophobicContact CG2-CD1 4.33Å; L120-I135 HydrophobicContact CD1-CD1 4.17Å; I125-I135 HydrophobicContact CD1-CD1 4.03Å; Y131-I135 HydrophobicContact CD2-CD1 4.47Å; Y131-I135 HydrophobicContact CD2-CG1 3.83Å; Y131-I135 HydrophobicContact CE2-CD1 3.93Å; Y131-I135 HydrophobicContact CE2-CG1 3.46Å; Y131-I135 VanDerWaalsContact CE2-CG1 3.46Å; Y131-I135 WeakPolarHBondContact O-CG1 3.38Å; Y131-I135 PolarHBondContact O-N 2.96Å; R132-I135 PolarHBondContact O-N 3.33Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 2.91Å; I135-E137 VanDerWaalsContact C-N 3.34Å; I135-E137 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 3.05Å; I135-L139 HydrophobicContact CG2-CD1 4.29Å; I135-L139 WeakPolarHBondContact O-CB 3.27Å; I135-L139 PolarHBondContact O-N 2.95Å; I135-I142 HydrophobicContact CG2-CD1 3.85Å; I135-L145 HydrophobicContact CB-CD2 3.78Å; I135-L145 HydrophobicContact CG1-CD2 4.3Å; I135-L145 HydrophobicContact CG2-CD1 3.85Å; I135-L145 HydrophobicContact CG2-CD2 3.7Å; I135-L145 HydrophobicContact CG2-CG 4.38Å
136F95.6Very high94.8Very high21 Ų2164.6 Ų64.69%0.09232%0.32CS..Hα-helixtrans-65.5-35.2176.7-76.8-64.1000112.6R132 E133 L139 I142 L145 Q150R132-F136 WeakPolarHBondContact O-CD2 3.47Å; R132-F136 PolarHBondContact O-N 2.95Å; E133-F136 PolarHBondContact O-N 3.16Å; F136-L139 CarbonylContact O-C 3.52Å; F136-I142 HydrophobicContact CD1-CD1 4.35Å; F136-I142 HydrophobicContact CD1-CG1 4.03Å; F136-I142 HydrophobicContact CE1-CD1 4.27Å; F136-I142 HydrophobicContact CE1-CG1 4.06Å; F136-L145 HydrophobicContact CE1-CB 4.23Å; F136-L145 HydrophobicContact CE2-CB 3.99Å; F136-L145 HydrophobicContact CE2-CD2 4.21Å; F136-L145 HydrophobicContact CZ-CB 3.61Å; F136-Q150 HydrophobicContact CD2-CB 4.48Å; F136-Q150 HydrophobicContact CE2-CB 4.38Å; F136-Q150 HydrophobicContact CZ-CB 4.49Å
137E95.4Very high94.7Very high146 Ų14663.8 Ų63.868%0.68232%0.32SS*.Hα-helixtrans-66.4-39.4173.2-76.4-170.4170.600112.3E133 I135 Q140E133-E137 WeakPolarHBondContact O-CB 3.44Å; E133-E137 WeakPolarHBondContact O-CG 3.23Å; E133-E137 PolarHBondContact O-N 2.97Å; I135-E137 VanDerWaalsContact C-N 3.34Å; I135-E137 PolarHBondContact O-N 3Å; E137-Q140 PolarHBondContact O-NE2 3.12Å; E137-Q140 VanDerWaalsContact O-NE2 3.08Å
138L95.6Very high94.8Very high38 Ų3861.4 Ų61.420%0.19930%0.304CS..Hα-helixtrans-74.9-43.3-179.4-173.170.3000112.2L103 V106 E107 Q110 S134 I135L103-L138 HydrophobicContact CB-CD2 4.48Å; L103-L138 HydrophobicContact CD2-CD2 4.47Å; V106-L138 HydrophobicContact CB-CD2 4.49Å; E107-L138 HydrophobicContact CB-CD1 4.35Å; E107-L138 HydrophobicContact CB-CD2 4.16Å; E107-L138 HydrophobicContact CG-CD1 4.19Å; Q110-L138 WeakPolarHBondContact CG-O 3.32Å; Q110-L138 PolarHBondContact NE2-O 3.12Å; S134-L138 WeakPolarHBondContact O-CB 3.44Å; S134-L138 PolarHBondContact O-N 3.22Å; I135-L138 PolarHBondContact O-N 3.05Å
139L95.3Very high94.9Very high0 Ų059 Ų590%029%0.291CS..  trans-112.469.1-175.9-59.1-173.7000110.2V106 L109 Q110 L118 I135 F136 Q141 I142V106-L139 HydrophobicContact CG1-CD1 3.62Å; V106-L139 HydrophobicContact CG1-CG 4.24Å; L109-L139 HydrophobicContact CB-CD1 4.22Å; L109-L139 HydrophobicContact CB-CD2 4.15Å; L109-L139 HydrophobicContact CD1-CD1 4.48Å; Q110-L139 HydrophobicContact CB-CD2 4.32Å; Q110-L139 HydrophobicContact CG-CD2 3.57Å; L118-L139 HydrophobicContact CD2-CD1 3.66Å; I135-L139 HydrophobicContact CG2-CD1 4.29Å; I135-L139 WeakPolarHBondContact O-CB 3.27Å; I135-L139 PolarHBondContact O-N 2.95Å; F136-L139 CarbonylContact O-C 3.52Å; L139-Q141 VanDerWaalsContact C-OE1 3.22Å; L139-Q141 VanDerWaalsContact CA-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 3.39Å; L139-I142 HydrophobicContact CB-CD1 4.28Å; L139-I142 HydrophobicContact CB-CG1 4.14Å; L139-I142 HydrophobicContact CB-CG2 4.19Å; L139-I142 HydrophobicContact CD1-CD1 4.41Å; L139-I142 HydrophobicContact CD1-CG2 4.37Å; L139-I142 WeakPolarHBondContact O-CG1 3.15Å; L139-I142 PolarHBondContact O-N 3.02Å; L139-I142 VanDerWaalsContact O-N 3.14Å
140Q93.5Very high94.9Very high166 Ų16657.7 Ų57.778%0.77629%0.285SS*.THydrogen-bonded Turntrans-64.2-10.1-177.4-70.8165.947.400114.2E137E137-Q140 PolarHBondContact O-NE2 3.12Å; E137-Q140 VanDerWaalsContact O-NE2 3.08Å
141Q94Very high94.9Very high47 Ų4760.1 Ų60.122%0.2229%0.293CS..THydrogen-bonded Turntrans-82.9-22.2176.876.6-88.940.300113.9L109 Q110 L112 L115 L139L109-Q141 PolarHBondContact O-NE2 3.37Å; Q110-Q141 PolarHBondContact O-NE2 3.3Å; L112-Q141 WeakPolarHBondContact O-CG 3.41Å; L112-Q141 PolarHBondContact O-NE2 2.9Å; L115-Q141 CarbonylContact O-C 3.55Å; L139-Q141 VanDerWaalsContact C-OE1 3.22Å; L139-Q141 VanDerWaalsContact CA-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 3.39Å
142I95.4Very high94.8Very high10 Ų1064.8 Ų64.85%0.05132%0.319CS..  trans-78.8142-178.672.3171.6000110.1L115 L118 I135 F136 L139 L145L115-I142 HydrophobicContact CB-CG2 4.46Å; L115-I142 HydrophobicContact CD2-CG2 3.99Å; L115-I142 HydrophobicContact CG-CG2 4.12Å; L118-I142 HydrophobicContact CB-CD1 4.25Å; L118-I142 HydrophobicContact CD2-CD1 4.46Å; I135-I142 HydrophobicContact CG2-CD1 3.85Å; F136-I142 HydrophobicContact CD1-CD1 4.35Å; F136-I142 HydrophobicContact CD1-CG1 4.03Å; F136-I142 HydrophobicContact CE1-CD1 4.27Å; F136-I142 HydrophobicContact CE1-CG1 4.06Å; L139-I142 HydrophobicContact CB-CD1 4.28Å; L139-I142 HydrophobicContact CB-CG1 4.14Å; L139-I142 HydrophobicContact CB-CG2 4.19Å; L139-I142 HydrophobicContact CD1-CD1 4.41Å; L139-I142 HydrophobicContact CD1-CG2 4.37Å; L139-I142 WeakPolarHBondContact O-CG1 3.15Å; L139-I142 PolarHBondContact O-N 3.02Å; L139-I142 VanDerWaalsContact O-N 3.14Å; I142-L145 HydrophobicContact CD1-CB 4.23Å; I142-L145 HydrophobicContact CD1-CD1 4.24Å
143T95.6Very high94.7Very high68 Ų6865.8 Ų65.842%0.41733%0.329SS..SBendtrans-97.6-38.4174.8-52.90000110.8K116 D149K116-T143 PolarHBondContact O-N 3.24Å; T143-D149 WeakPolarHBondContact O-CA 3.39Å; T143-D149 WeakPolarHBondContact O-CB 3.4Å
144Y96.7Very high94.7Very high56 Ų5667.1 Ų67.122%0.2234%0.335CS..EExtended strand (participates in β ladder)trans-121.4134.3-175.4-56.9-75.4000111.3K116 S117 L118 D149 A155 P156K116-Y144 PolarHBondContact O-N 3.34Å; S117-Y144 WeakPolarHBondContact CA-O 3.46Å; L118-Y144 PolarHBondContact N-O 3.35Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.9Å; Y144-A155 HydrophobicContact CD1-CB 3.51Å; Y144-A155 HydrophobicContact CD2-CB 4.1Å; Y144-A155 HydrophobicContact CE1-CB 3.86Å; Y144-A155 HydrophobicContact CE2-CB 4.4Å; Y144-A155 HydrophobicContact CG-CB 3.65Å; Y144-P156 VanDerWaalsContact OH-CD 3.31Å; Y144-P156 WeakPolarHBondContact OH-CD 3.27Å
145L96.9Very high94.3Very high0 Ų066.7 Ų66.70%033%0.334CS..EExtended strand (participates in β ladder)trans-125.7124.8173.8-178.564.1000109.2L118 L120 Y131 R132 I135 F136 I142 G147 F148L118-L145 HydrophobicContact CB-CD1 4.35Å; L118-L145 HydrophobicContact CD2-CD1 4.35Å; L118-L145 HydrophobicContact CG-CD1 4.27Å; L118-L145 CarbonylContact O-C 3.5Å; L118-L145 VanDerWaalsContact O-CA 3.31Å; L118-L145 WeakPolarHBondContact O-CA 3.29Å; L120-L145 HydrophobicContact CD1-CD1 4.39Å; Y131-L145 HydrophobicContact CE1-CD2 4.06Å; R132-L145 HydrophobicContact CB-CD2 4.25Å; R132-L145 HydrophobicContact CG-CD2 4.09Å; R132-L145 PolarHBondContact NH1-O 2.84Å; R132-L145 PolarHBondContact NH2-O 2.7Å; I135-L145 HydrophobicContact CB-CD2 3.78Å; I135-L145 HydrophobicContact CG1-CD2 4.3Å; I135-L145 HydrophobicContact CG2-CD1 3.85Å; I135-L145 HydrophobicContact CG2-CD2 3.7Å; I135-L145 HydrophobicContact CG2-CG 4.38Å; F136-L145 HydrophobicContact CE1-CB 4.23Å; F136-L145 HydrophobicContact CE2-CB 3.99Å; F136-L145 HydrophobicContact CE2-CD2 4.21Å; F136-L145 HydrophobicContact CZ-CB 3.61Å; I142-L145 HydrophobicContact CD1-CB 4.23Å; I142-L145 HydrophobicContact CD1-CD1 4.24Å; L145-G147 PolarHBondContact O-N 2.86Å; L145-F148 PolarHBondContact N-O 2.54Å; L145-F148 PolarHBondContact O-N 3.47Å
146D95.7Very high93.7Very high30 Ų3069.9 Ų69.916%0.1636%0.355CS..THydrogen-bonded Turntrans5234.5-177.6-52.9-36.3000112.9L118 L120 F121 Y131 F148L118-D146 PolarHBondContact O-N 3.09Å; L120-D146 PolarHBondContact N-OD1 2.92Å; F121-D146 PolarHBondContact N-OD1 3.38Å; Y131-D146 WeakPolarHBondContact CE1-OD2 3.24Å; D146-F148 VanDerWaalsContact O-CD2 3.26Å; D146-F148 WeakPolarHBondContact O-CD2 3.31Å
147G93.3Very high92.4Very high27 Ų2776 Ų7628%0.27839%0.388SS..THydrogen-bonded Turntrans83.94.3-17900000115.7L145 E154 A155L145-G147 PolarHBondContact O-N 2.86Å; G147-E154 CarbonylContact O-C 3.49Å; G147-E154 WeakPolarHBondContact O-CA 3.42Å; G147-A155 PolarHBondContact O-N 3.28Å
148F95.3Very high90.5Very high83 Ų8372.3 Ų72.336%0.36438%0.379SS..BIsolated β-bridgetrans-130.2145179.8-59.9-88.5000112.2R132 L145 D146 N153 E154R132-F148 PolarHBondContact NH2-O 3.48Å; L145-F148 PolarHBondContact N-O 2.54Å; L145-F148 PolarHBondContact O-N 3.47Å; D146-F148 VanDerWaalsContact O-CD2 3.26Å; D146-F148 WeakPolarHBondContact O-CD2 3.31Å; F148-N153 CarbonylContact C-O 3.57Å; F148-N153 VanDerWaalsContact CA-O 3.25Å; F148-N153 WeakPolarHBondContact CA-O 3.38Å; F148-E154 HydrophobicContact CD1-CB 4.42Å; F148-E154 HydrophobicContact CE1-CB 4.25Å
149D94.9Very high88.5Confident26 Ų2679.5 Ų79.514%0.13941%0.411CS..  trans-77.8-172.6172.372.79.5000112.7R132 T143 Y144 E151 D152 N153R132-D149 PolarHBondContact NH2-O 2.99Å; T143-D149 WeakPolarHBondContact O-CA 3.39Å; T143-D149 WeakPolarHBondContact O-CB 3.4Å; Y144-D149 HydrophobicContact CD1-CB 3.9Å; Y144-D149 HydrophobicContact CE1-CB 3.9Å; D149-E151 PolarHBondContact O-N 3.3Å; D149-E151 VanDerWaalsContact OD1-C 3.25Å; D149-E151 VanDerWaalsContact OD1-CA 3.29Å; D149-E151 WeakPolarHBondContact OD1-CA 3.48Å; D149-E151 PolarHBondContact OD1-N 3.07Å; D149-D152 PolarHBondContact O-N 2.89Å; D149-D152 PolarHBondContact OD1-N 3.23Å; D149-N153 PolarHBondContact N-O 3.24Å; D149-N153 PolarHBondContact OD1-N 3.06Å; D149-N153 PolarHBondContact OD1-ND2 3.01Å; D149-N153 WeakPolarHBondContact OD2-CB 3.4Å; D149-N153 PolarHBondContact OD2-ND2 3.15Å
150Q92Very high86.3Confident152 Ų15288 Ų8871%0.7145%0.451SS*.THydrogen-bonded Turntrans-68.6-21.2177.3-169.7175.811.500113.2F136F136-Q150 HydrophobicContact CD2-CB 4.48Å; F136-Q150 HydrophobicContact CE2-CB 4.38Å; F136-Q150 HydrophobicContact CZ-CB 4.49Å
151E92.6Very high84.2Confident157 Ų15787.3 Ų87.373%0.73445%0.448SS*.THydrogen-bonded Turntrans-9710.1179.5-61.2-171.5156.300112.7D149 N153D149-E151 PolarHBondContact O-N 3.3Å; D149-E151 VanDerWaalsContact OD1-C 3.25Å; D149-E151 VanDerWaalsContact OD1-CA 3.29Å; D149-E151 WeakPolarHBondContact OD1-CA 3.48Å; D149-E151 PolarHBondContact OD1-N 3.07Å; E151-N153 VanDerWaalsContact C-N 3.27Å; E151-N153 PolarHBondContact O-N 3.07Å
152D93.2Very high82.1Confident116 Ų11691.2 Ų91.262%0.6247%0.47SS*.SBendtrans62.524.9-175.1-64.6-38.8000114.5D149D149-D152 PolarHBondContact O-N 2.89Å; D149-D152 PolarHBondContact OD1-N 3.23Å
153N93.1Very high79.9Confident81 Ų8198.8 Ų98.843%0.43351%0.511SS..PPolyproline II helixtrans-81.4138.3168.5-51.1-62.6000110.2F148 D149 E151F148-N153 CarbonylContact C-O 3.57Å; F148-N153 VanDerWaalsContact CA-O 3.25Å; F148-N153 WeakPolarHBondContact CA-O 3.38Å; D149-N153 PolarHBondContact N-O 3.24Å; D149-N153 PolarHBondContact OD1-N 3.06Å; D149-N153 PolarHBondContact OD1-ND2 3.01Å; D149-N153 WeakPolarHBondContact OD2-CB 3.4Å; D149-N153 PolarHBondContact OD2-ND2 3.15Å; E151-N153 VanDerWaalsContact C-N 3.27Å; E151-N153 PolarHBondContact O-N 3.07Å
154E92.7Very high77.8Confident151 Ų151104.1 Ų104.171%0.70653%0.531SS*.BIsolated β-bridgetrans-68139.4176.9-169168.1-162.600110.8G147 F148G147-E154 CarbonylContact O-C 3.49Å; G147-E154 WeakPolarHBondContact O-CA 3.42Å; F148-E154 HydrophobicContact CD1-CB 4.42Å; F148-E154 HydrophobicContact CE1-CB 4.25Å
155A88.4Confident75.7Confident26 Ų26107.7 Ų107.722%0.21555%0.554CS.*PPolyproline II helixtrans-60.4140.217400000110.1Y144 G147Y144-A155 HydrophobicContact CD1-CB 3.51Å; Y144-A155 HydrophobicContact CD2-CB 4.1Å; Y144-A155 HydrophobicContact CE1-CB 3.86Å; Y144-A155 HydrophobicContact CE2-CB 4.4Å; Y144-A155 HydrophobicContact CG-CB 3.65Å; G147-A155 PolarHBondContact O-N 3.28Å
156P83.1Confident73.3Confident66 Ų66110.8 Ų110.843%0.42959%0.585SS.*PPolyproline II helixtrans-60.7144.5173.126.3-32.3000109.6Y144 S158Y144-P156 VanDerWaalsContact OH-CD 3.31Å; Y144-P156 WeakPolarHBondContact OH-CD 3.27Å; P156-S158 PolarHBondContact O-N 2.85Å
157D67Low71.2Confident150 Ų150117.4 Ų117.480%0.80262%0.621SS**  trans-57.8113.4173.6-83.6-35.7000108.4E159D157-E159 PolarHBondContact O-N 2.78Å
158S57.2Low69.4Low69 Ų69124.1 Ų124.148%0.48365%0.645SS.*THydrogen-bonded Turntrans-66.114.4-168.261.30000115.6P156P156-S158 PolarHBondContact O-N 2.85Å
159E53.7Low67.2Low188 Ų188127.5 Ų127.588%0.87967%0.667SS**THydrogen-bonded Turntrans-88.5-7.9-179.5-64.8-167.917100113.3D157D157-E159 PolarHBondContact O-N 2.78Å
160E48.9Very low64.9Low180 Ų180132.6 Ų132.684%0.84169%0.694SS**SBendtrans-113.6-1.5-169.8-66.7-167.8166.200116.5
161E49.1Very low62.8Low150 Ų150134.6 Ų134.670%0.70170%0.704SS**  trans-128.413.3-166.3-63.5-159.317900118.1D163E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 3.42Å
162D50.2Low60.8Low130 Ų130135 Ų13570%0.69571%0.705SS**THydrogen-bonded Turntrans-82.88178.3-81.7-23.2000114.8
163D49.3Very low58.8Low168 Ų168137.6 Ų137.690%0.89871%0.714SS**THydrogen-bonded Turntrans-97.53.3-177.7-80.6-30.7000115.2E161E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 3.42Å
164E50.5Low56.7Low181 Ų181141.6 Ų141.685%0.84673%0.73SS**  trans-116.741.1-173.8-141.4173.6-14300114.1G166E164-G166 VanDerWaalsContact C-N 3.33Å
165D52Low54.6Low131 Ų131142.5 Ų142.570%0.70173%0.734SS**  trans-97.371.1152.1-74.5-32.4000107.9D167D165-D167 PolarHBondContact O-N 3.16Å
166G47Very low52.4Low64 Ų64147.9 Ų147.966%0.6676%0.759SS**  trans-64.8108.3159.200000108.2E164 E168E164-G166 VanDerWaalsContact C-N 3.33Å; G166-E168 PolarHBondContact O-N 3.22Å
167D51.1Low50.8Low169 Ų169154 Ų15490%0.90478%0.782SS**  trans-59.680.9158-99.1-39.5000107.5D165D165-D167 PolarHBondContact O-N 3.16Å
168E57.2Low49.6Very low169 Ų169151.6 Ų151.679%0.7978%0.783SS**  trans-84.3130154.1-70.6-171.7172.400107.3G166G166-E168 PolarHBondContact O-N 3.22Å
169D48.7Very low48.7Very low154 Ų154151.8 Ų151.882%0.82480%0.796SS**  trans114.5110.8173.6-59.7-21.7000111.3
170D46.5Very low48.7Very low132 Ų132148.8 Ų148.871%0.70679%0.792SS**  cis-165.391.147.9-155.31.8000109.4E172D170-E172 PolarHBondContact O-N 3.34Å
171E46.5Very low49.1Very low195 Ų195145.5 Ų145.591%0.91179%0.787SS**  trans-87.794.4160.2-75.9-166.4-175.900107.4E173E171-E173 PolarHBondContact O-N 2.74Å
172E50.8Low48.6Very low164 Ų164146.7 Ų146.777%0.76679%0.792SS**  trans-59.2102.8167.6-74.8-169.2163.300109.2D170 E174D170-E172 PolarHBondContact O-N 3.34Å; E172-E174 PolarHBondContact O-N 2.74Å
173E51.1Low48Very low172 Ų172143 Ų14380%0.80479%0.785SS**  trans-62.998.4163.2-70.3-165.1167.900109.6E171 E175E171-E173 PolarHBondContact O-N 2.74Å; E173-E175 PolarHBondContact O-N 2.85Å
174E49.2Very low47.5Very low164 Ų164144.4 Ų144.477%0.76678%0.779SS**  trans-87.888.8152.3-79-137.4171.400109.5E172 N176E172-E174 PolarHBondContact O-N 2.74Å; E174-N176 PolarHBondContact O-N 2.99Å; E174-N176 VanDerWaalsContact O-N 3.16Å
175E49.8Very low47.2Very low170 Ų170144 Ų14479%0.79478%0.777SS**  trans-58109.7154.9-76.3-167.4146.100109.4E173E173-E175 PolarHBondContact O-N 2.85Å
176N42.7Very low46.8Very low140 Ų140146.3 Ų146.375%0.74978%0.784SS**  trans-133.798.2154.1-82.6-57.4000110.4E174E174-N176 PolarHBondContact O-N 2.99Å; E174-N176 VanDerWaalsContact O-N 3.16Å
177E49Very low46.6Very low195 Ų195152.7 Ų152.791%0.91180%0.797SS**  trans-53.9125.3164.7179.3-174.6-173.500112.7
178A40.9Very low46.3Very low98 Ų98153.1 Ų153.181%0.8179%0.793SS**  trans176.4132.2134.200000112.2
179G38Very low45.8Very low73 Ų73154 Ų15475%0.75380%0.797SS**  trans-81-167.5-170.100000119.3
180P54.1Low45.7Very low125 Ų125154.9 Ų154.981%0.81280%0.797SS**  trans-100-166.5-147.445-40.1000112.4
181P57.1Low45.9Very low111 Ų111156.8 Ų156.872%0.72180%0.801SS**  cis-148.9-155.918.540.8-15.3000116.1
182E39Very low45.9Very low175 Ų175155.8 Ų155.882%0.81880%0.797SS**  trans94.6126.2174.1-55.6-176.5178.500113.1
183G37.9Very low45.8Very low53 Ų53155.7 Ų155.755%0.54680%0.801SS.*  cis144157.823.500000105.9
184Y39.4Very low45.8Very low197 Ų197155.9 Ų155.977%0.77380%0.802SS**  trans73.3136.4176.7-37.5-76.5000114
185E42.3Very low45.8Very low173 Ų173156 Ų15681%0.80881%0.808SS**  cis-159.6154.12.8-108.9155.3-155.400108.2
186E43.7Very low45.9Very low179 Ų179156.3 Ų156.384%0.83681%0.81SS**  trans-44.3142.5161-71.1159.3176.800112.6
187E44.1Very low46.3Very low198 Ų198157.6 Ų157.693%0.92582%0.816SS**  -147.3122.6124.9-69.8-157.9161.500109.8
188E45.5Very low46.4Very low178 Ų178156.7 Ų156.783%0.83281%0.812SS**  trans-63144.6162.5-56172.1155.400109.3
189E46.5Very low46.9Very low188 Ų188160 Ų16088%0.87982%0.816SS**  trans-148.2112.4133.8-73.9-152.2163.900108.5
190E46.1Very low47.5Very low173 Ų173165 Ų16581%0.80882%0.82SS**  trans-67.8141.6157.7-59.7179.5157.400108.2
191E49.4Very low47.2Very low172 Ų172166.8 Ų166.880%0.80482%0.823SS**  trans-146.6108.6139.2-73.1-55.3172.200107.6
192E47.5Very low46.8Very low174 Ų174169.2 Ų169.281%0.81382%0.824SS**  trans-67.3144.1152.2-67.2177.1154.600107.5
193D48.9Very low46.9Very low162 Ų162167.8 Ų167.887%0.86682%0.822SS**  trans-161.2116.6137-93.4-30.2000109.2
194E49.9Very low47.5Very low175 Ų175174.3 Ų174.382%0.81884%0.839SS**  trans-64.2147.2161.9-62.8171.6152.800109
195D50Low47.7Very low166 Ų166169.7 Ų169.789%0.88884%0.841SS**  trans-156.2112.8139.3-90.4-34.4000109
196E51.3Low47.5Very low178 Ų178164.8 Ų164.883%0.83284%0.837SS**  trans-65.1143.4160.8-64.5172.6150.100109.2
197D51.2Low47.5Very low166 Ų166161.4 Ų161.489%0.88883%0.833SS**  trans-147.3104.5146.4-88.6-39.4000108.4
198E51.1Low47.4Very low177 Ų177159.5 Ų159.583%0.82782%0.824SS**  trans-68.1138.5157.9-67.2176.8151.700109
199D51.5Low47.1Very low167 Ų167158.3 Ų158.389%0.89382%0.823SS**  trans-144.298.6149-88.4-38.5000107.8
200E51.1Low46.8Very low178 Ų178153.1 Ų153.183%0.83282%0.82SS**  trans-70.3140.2151.2-69.6-178.8151.600108.2
201D47.8Very low46.7Very low163 Ų163154.1 Ų154.187%0.87282%0.824SS**  -166143.6129.5-98.7-28.2000112.9
202E48.7Very low46.2Very low162 Ų162149.5 Ų149.576%0.75782%0.823SS**  trans-77172.3-169.8-71.6176.3130.600115.4
203D41.1Very low46.1Very low144 Ų144150.3 Ų150.377%0.7783%0.827SS**  trans76.7123.3148.6-61.4-28.5000120.1
204E50.8Low46Very low191 Ų191151.4 Ų151.489%0.89383%0.826SS**  179141.483.9-165.1169-171.600111.2
205A43.4Very low46.1Very low99 Ų99152.2 Ų152.282%0.81883%0.83SS**  trans-75.5157.6176.500000113.2
206G38.1Very low46.2Very low71 Ų71151 Ų15173%0.73283%0.829SS**  trans137.7123.8138.600000117.8
207S42.9Very low45.9Very low107 Ų107145.4 Ų145.475%0.74882%0.819SS**  trans66.1150147.7-125.60000117.1
208E42.9Very low45.8Very low159 Ų159146.9 Ų146.974%0.74383%0.826SS**  cis-168.2149.212-154.4158.1144.200108.2
209L39.7Very low45.7Very low152 Ų152143.1 Ų143.180%0.79682%0.819SS**  trans-2.1133155.1-57.3164000119.2
210G38.5Very low45.6Very low79 Ų79145.7 Ų145.781%0.81482%0.818SS**  trans-153.785.1158.300000110.5
211E44.2Very low45.4Very low194 Ų194143.9 Ų143.991%0.90781%0.813SS**  trans-59.3142.4165.1-64.1177.5160.900110.3
212G39.1Very low45.4Very low75 Ų75145.2 Ų145.277%0.77382%0.816SS**  trans-17972177.400000111.3
213E45.5Very low45.3Very low191 Ų191146.1 Ų146.189%0.89382%0.817SS**  trans-57.4137.4157.5-60.8-179.8157.300109.3
214E47.9Very low45.7Very low185 Ų185147.6 Ų147.686%0.86482%0.82SS**  trans-169108.6134.2-105.7176.9-159.100110.6
215E52.1Low45.5Very low192 Ų192147 Ų14790%0.89782%0.817SS**  trans-63.3130.3156.6-74.9-173.1143.400110.2
216V52Low45.8Very low142 Ų142150 Ų15086%0.86182%0.818SS**  trans-167.2134.1149.2-85.30000106.1
217G44.1Very low46.2Very low60 Ų60154.5 Ų154.562%0.61982%0.82SS**  cis157114.311.800000105.1S219G217-S219 PolarHBondContact O-N 3.37Å
218L49.3Very low46.5Very low197 Ų197156.5 Ų156.5100%1.03182%0.822SS**  trans-69.872.4177.2-79.6160.4000110.7
219S49.8Very low47.1Very low98 Ų98157.9 Ų157.969%0.68583%0.828SS**  trans-133.948.8-174.771.60000113.9G217G217-S219 PolarHBondContact O-N 3.37Å
220Y48Very low47.6Very low221 Ų221159.5 Ų159.587%0.86783%0.832SS**SBendtrans-121.3100.1162.9-106.5-105.4000110.3
221L47.3Very low48.3Very low140 Ų140164 Ų16473%0.73384%0.838SS**  trans75.866.8155.8-82.882.5000118.8
222M48.4Very low48.6Very low191 Ų191161.6 Ų161.694%0.94183%0.831SS**  -89.2101.8127.4-82.1-78.3-108.800108.5
223K46.8Very low49Very low180 Ų180164.7 Ų164.778%0.78383%0.829SS**  trans172.3113.8161.1-108.1176.2174.7176.10104.6
224E49.4Very low49.3Very low176 Ų176162.1 Ų162.182%0.82282%0.822SS**  -143137.457.7-75.6170.315000112.5
225E45.7Very low49.3Very low179 Ų179162 Ų16284%0.83682%0.815SS**  trans-62.3127.7154.2-66.7161.2138.300108.6
226I50.8Low49.1Very low161 Ų161159.9 Ų159.983%0.82681%0.814SS**  trans-117.2110.8154.6-62179.3000105.9
227Q45.3Very low49.3Very low166 Ų166160.2 Ų160.278%0.77681%0.807SS**  trans-72.3155.5173.6-82.1173.7-10.800111.5
228D49.3Very low49.5Very low149 Ų149166.5 Ų166.580%0.79782%0.82SS**  trans-48.3144.5172.9-50.4-66000114.9
229E55.2Low49Very low187 Ų187160.9 Ų160.987%0.87481%0.81SS**  trans-147.7106.1137.6-66.9-162.1167.100104.9
230E51.6Low48.9Very low187 Ų187165.3 Ų165.387%0.87482%0.819SS**  43.110294.7-73-172.6-176.300113
231D52.2Low48.9Very low174 Ų174163.6 Ų163.693%0.9382%0.82SS**  trans-143.7111.9143.5-115.3-13.8000108.7
232D50.8Low48.6Very low142 Ų142164.9 Ų164.976%0.75982%0.822SS**  trans-81.7174.3174.5-128.7-18.2000109.4
233D46.9Very low48.2Very low140 Ų140164 Ų16475%0.74982%0.815SS**  trans83130.9163.1-49.2-31000116.7
234D51.9Low48Very low138 Ų138163.8 Ų163.874%0.73882%0.817SS**  cis-164.7158.712.9-146-14.3000111.9
235Y49.2Very low47.6Very low183 Ų183163.3 Ų163.372%0.71882%0.815SS**  trans-38.1150.4169.6-91.4-110.3000117.7
236V47.8Very low47.2Very low146 Ų146162.5 Ų162.589%0.88581%0.811SS**  -152.6113.9111.2-173.10000110.1
237E56.2Low46.5Very low149 Ų149162.7 Ų162.770%0.69681%0.809SS**  trans-90.8159.1157.6-175.9173.2-162.500108.6
238E46.5Very low46.6Very low193 Ų193162.3 Ų162.390%0.90281%0.807SS**  trans109.9125.9166.8-60.8-163.5-178.800118.1
239G40.6Very low46Very low79 Ų79159 Ų15981%0.81481%0.808SS**  trans169.751172.300000111.4
240E47.8Very low45.7Very low190 Ų190157.1 Ų157.189%0.88880%0.803SS**  trans-67138.6156.4-62.7-175.9155.300109.1
241E46.6Very low45.1Very low186 Ų186160.3 Ų160.387%0.86981%0.807SS**  trans-157.9104139.1-69-161.6168.500105.8
242E41.7Very low44.7Very low167 Ų167155.1 Ų155.178%0.7880%0.795SS**  74.5112.895.9-72.7-167.9-178.800114
243E40.5Very low44.4Very low173 Ų173155.6 Ų155.681%0.80879%0.792SS**  68.7133.6106.4-61.3-161.3174.300113
244E42.4Very low44.6Very low175 Ų175154.7 Ų154.782%0.81878%0.782SS**  -158136.651.5-67.4175.6158.200107.5
245E39.6Very low44.4Very low165 Ų165158.1 Ų158.177%0.77178%0.784SS**  53.6126.286.7-81.3-154.6176.100118.2
246E37.6Very low44.5Very low162 Ų162156.9 Ų156.976%0.75778%0.783SS**  trans64.8153.6148.2-60.5-166.2162.900117.9
247E37.3Very low44.2Very low166 Ų166158.9 Ų158.978%0.77677%0.774SS**  cis-163.5169.315.8-144.9-172171.600108.2
248E46.2Very low43.8Very low157 Ų157158.3 Ų158.373%0.73478%0.776SS**  trans-47.4136.9171.4-59.1-168.3149.700115.4
249G36.7Very low44.2Very low80 Ų80153.9 Ų153.983%0.82577%0.772SS**  trans-109.663.4164.800000112.4R251G249-R251 PolarHBondContact O-N 2.86Å
250L49.4Very low44.8Very low148 Ų148159.3 Ų159.378%0.77578%0.777SS**  trans-68.4112.4159.8-82.1168.4000109.8
251R39Very low45.2Very low254 Ų254157.9 Ų157.996%0.95878%0.775SS**  trans179.9130.9155.5-107.7168.2178.8-170.62.8109.3G249G249-R251 PolarHBondContact O-N 2.86Å
252G45.2Very low45.5Very low65 Ų65156.7 Ų156.767%0.6778%0.775SS**  cis-163.3145.57.200000108.8
253E44.2Very low45.9Very low152 Ų152152.1 Ų152.171%0.7177%0.772SS**  64.9101.899-100.6-153.712200115.1
254K50.2Low46.7Very low121 Ų121152.9 Ų152.953%0.52678%0.776SS.*  139.3122.3108.4-83.5169.7172114.10114.6
255R48.5Very low47.4Very low209 Ų209153.8 Ų153.879%0.78978%0.78SS**  68.2150.9126.2-61.9171.5-170.71751.8116.5
256K50.3Low48.2Very low157 Ų157153.5 Ų153.568%0.68378%0.784SS**  cis173.2124.9-11.1-174.7-173.8-176.9-1740102.8
257R42.5Very low49.3Very low189 Ų189157.4 Ų157.471%0.71381%0.81SS**  trans59.4136149.5-87.3-178.9-111.7179.9-10.2123.8
258D47.3Very low49.9Very low136 Ų136157 Ų15773%0.72781%0.811SS**  trans66.4115133.8-53.1-26.3000120.3
259A55.2Low50.1Low100 Ų100156.9 Ų156.983%0.82682%0.815SS**  -147.9114.7125.300000108.7
260E52Low50.9Low194 Ų194161.2 Ų161.291%0.90782%0.815SS**  trans-53.6140.3155.3-59.7172.5150.100108.7
261D57.5Low51Low160 Ų160162 Ų16286%0.85682%0.817SS**  trans-154.8134.8136.7-154.56.4000110.8
262D51.6Low51.7Low161 Ų161156.3 Ų156.386%0.86181%0.808SS**  trans-61.1163.1-173.3-90.3-40.4000114.1
263G50.9Low52.2Low70 Ų70162.3 Ų162.372%0.72282%0.818SS**  trans148.275.1140.900000115.4
264E57.1Low52.7Low190 Ų190163.1 Ų163.189%0.88883%0.825SS**  trans-54.3141.8146.2-66.9-178.3162.100109.6
265E56.8Low52.9Low193 Ų193166.3 Ų166.390%0.90285%0.848SS**  -168.3106.7128-105.2174.5-165.500108.8
266D57.1Low53.3Low160 Ų160162.8 Ų162.886%0.85685%0.853SS**  trans-66.4135.2152.7-76.4-47.2000109.2
267D61.4Low53.6Low243 Ų243163.3 Ų163.3100%1.29987%0.869SS**  trans-160.50139.2-106.4-16.6000110

Retrieved 267 of 267 residues in 189.6 ms (Link to these results)