A0A3P9NL65_POERE Loading...

Actin-related protein 2/3 complex subunit 3

Component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A3P9NL65, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 178 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
1M72.2Confident91.9Very high196 Ų19677.7 Ų77.797%0.96644%0.438SS*.  0138.90-67-175.1-143.600108.1F55M1-F55 WeakPolarHBondContact O-CE1 3.41Å; M1-F55 WeakPolarHBondContact O-CZ 3.32Å
2P88.1Confident91.8Very high108 Ų10884 Ų8470%0.70146%0.461SS*.PPolyproline II helixtrans-69.8165.3170.730.8-33.5000111.3F55P2-F55 WeakPolarHBondContact O-CZ 3.4Å
3A94.4Very high91.9Very high12 Ų1279.2 Ų79.210%0.09944%0.435CS..PPolyproline II helixtrans-67.7157.6172.600000111.1H5 F55 Y58A3-H5 PolarHBondContact O-CD2 3.04Å; A3-H5 PolarHBondContact O-NE2 3.16Å; A3-F55 HydrophobicContact CB-CB 4.4Å; A3-F55 HydrophobicContact CB-CD1 4.03Å; A3-F55 HydrophobicContact CB-CD2 4.13Å; A3-F55 HydrophobicContact CB-CE1 4.31Å; A3-F55 HydrophobicContact CB-CE2 4.38Å; A3-F55 HydrophobicContact CB-CG 3.92Å; A3-F55 HydrophobicContact CB-CZ 4.46Å; A3-Y58 HydrophobicContact CB-CD2 3.5Å; A3-Y58 VanDerWaalsContact CB-CD2 3.5Å; A3-Y58 HydrophobicContact CB-CE2 3.7Å
4Y97.7Very high92.1Very high99 Ų9984.9 Ų84.939%0.38845%0.447SS..PPolyproline II helixtrans-88.1135.2176.6-64.7-88.7000110.6Y48 A51 N52 Y58Y4-Y48 VanDerWaalsContact CB-CD1 3.48Å; Y4-Y48 AromaticContact CD1-CD1 3.79Å; Y4-Y48 HydrophobicContact CD1-CD1 3.79Å; Y4-Y48 AromaticContact CD1-CE1 3.63Å; Y4-Y48 HydrophobicContact CD1-CE1 3.63Å; Y4-Y48 HydrophobicContact CD2-CD1 4.22Å; Y4-Y48 HydrophobicContact CE1-CE1 4.44Å; Y4-Y48 AromaticContact CG-CD1 3.57Å; Y4-Y48 HydrophobicContact CG-CD1 3.57Å; Y4-Y48 AromaticContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CG 4.13Å; Y4-A51 HydrophobicContact CD2-CB 3.85Å; Y4-A51 HydrophobicContact CE2-CB 3.55Å; Y4-N52 PolarHBondContact N-OD1 2.83Å; Y4-N52 PolarHBondContact O-ND2 2.96Å; Y4-Y58 WeakPolarHBondContact O-CE2 3.35Å; Y4-Y58 PolarHBondContact O-OH 3.37Å
5H98.1Very high92.4Very high33 Ų3384.8 Ų84.815%0.15345%0.446CS..  trans-111.3158.9-176.2-60.4-96.5000111.4A3 Y58 E59 K61 D65A3-H5 PolarHBondContact O-CD2 3.04Å; A3-H5 PolarHBondContact O-NE2 3.16Å; H5-Y58 WeakPolarHBondContact CA-OH 3.41Å; H5-Y58 AromaticContact CE1-CE1 3.89Å; H5-Y58 AromaticContact CE1-CZ 3.9Å; H5-Y58 AromaticContact ND1-CE1 3.71Å; H5-Y58 AromaticContact ND1-CZ 3.61Å; H5-Y58 PolarHBondContact ND1-OH 2.84Å; H5-E59 PolarHBondContact CE1-O 2.92Å; H5-E59 PolarHBondContact ND1-O 3.28Å; H5-K61 HydrophobicContact CB-CD 4.3Å; H5-K61 PolarHBondContact CD2-NZ 3Å; H5-K61 VanDerWaalsContact CD2-NZ 3.28Å; H5-K61 WeakPolarHBondContact NE2-CE 3.37Å; H5-K61 PolarHBondContact NE2-NZ 3.18Å; H5-D65 VanDerWaalsContact CA-OD1 3.31Å; H5-D65 WeakPolarHBondContact CA-OD1 3.38Å; H5-D65 VanDerWaalsContact CB-OD1 3.28Å; H5-D65 WeakPolarHBondContact CB-OD1 3.35Å; H5-D65 IonicContact CE1-OD2 3.23Å; H5-D65 IonicContact CG-OD1 3.42Å; H5-D65 IonicContact CG-OD2 3.13Å; H5-D65 IonicContact ND1-OD1 3.1Å; H5-D65 IonicContact ND1-OD2 3.53Å; H5-D65 PolarHBondContact ND1-OD2 3.35Å
6S97.4Very high92.7Very high9 Ų979.6 Ų79.66%0.06342%0.419CS..  trans-71.4138.8176.3-175.80000111.2L8 I41 E44 D65S6-L8 PolarHBondContact OG-N 3.35Å; S6-I41 WeakPolarHBondContact OG-CD1 3.36Å; S6-E44 VanDerWaalsContact CA-OE2 3.27Å; S6-E44 WeakPolarHBondContact CA-OE2 3.23Å; S6-E44 VanDerWaalsContact CB-OE2 3.29Å; S6-E44 WeakPolarHBondContact CB-OE2 3.47Å; S6-E44 PolarHBondContact OG-OE2 2.88Å; S6-D65 PolarHBondContact N-OD1 3.09Å
7S95Very high93Very high93 Ų9376.1 Ų76.165%0.6541%0.406SS*.  trans-103.22.8175.566.50000113.5E44S7-E44 PolarHBondContact N-OE1 2.89Å; S7-E44 PolarHBondContact N-OE2 3.06Å; S7-E44 PolarHBondContact OG-OE1 3.49Å
8L94.4Very high93.2Very high52 Ų5273.7 Ų73.727%0.27239%0.393SS..  trans-91.75-170.2-58.3175.9000114.4S6 V10 L22 D40 I41 E44S6-L8 PolarHBondContact OG-N 3.35Å; L8-V10 PolarHBondContact O-N 2.88Å; L8-L22 HydrophobicContact CB-CD1 4.29Å; L8-L22 HydrophobicContact CB-CD2 4.34Å; L8-L22 WeakPolarHBondContact O-CD2 3.01Å; L8-D40 VanDerWaalsContact CD1-C 3.47Å; L8-I41 HydrophobicContact CD1-CB 4.18Å; L8-I41 HydrophobicContact CD1-CD1 4.27Å; L8-E44 HydrophobicContact CD1-CG 4.07Å; L8-E44 HydrophobicContact CG-CG 4.37Å
9M94Very high93.5Very high57 Ų5769.8 Ų69.828%0.28137%0.373SS..  trans-73.3123.2178.4-168.864-173.700110.4T13 L15 A20 N62 E63 A64M9-T13 HydrophobicContact CE-CG2 4.48Å; M9-T13 HydrophobicContact SD-CG2 4.15Å; M9-L15 HydrophobicContact CE-CD2 4.42Å; M9-A20 HydrophobicContact SD-CB 4.13Å; M9-N62 HydrophobicContact CG-CB 4.32Å; M9-E63 HydrophobicContact CE-CB 4.35Å; M9-E63 HydrophobicContact SD-CB 4.49Å; M9-A64 HydrophobicContact CB-CB 3.93Å; M9-A64 HydrophobicContact SD-CB 4.2Å
10V91.3Very high93.7Very high76 Ų7666.4 Ų66.446%0.46135%0.354SS..  trans-123.7155.2173.6-62.50000110.3L8 E12 T13L8-V10 PolarHBondContact O-N 2.88Å; V10-E12 PolarHBondContact O-N 3.38Å; V10-T13 WeakPolarHBondContact CG2-OG1 3.43Å; V10-T13 PolarHBondContact N-OG1 2.97Å; V10-T13 WeakPolarHBondContact O-CB 3.22Å; V10-T13 PolarHBondContact O-N 3.07Å; V10-T13 VanDerWaalsContact O-N 3.09Å; V10-T13 PolarHBondContact O-OG1 3.01Å; V10-T13 VanDerWaalsContact O-OG1 3.11Å
11P88.6Confident93.9Very high120 Ų12063.9 Ų63.978%0.77934%0.341SS*.THydrogen-bonded Turntrans-57.4-31.8-173.1-26.735.9000114.9T13P11-T13 VanDerWaalsContact C-N 3.32Å
12E90.3Very high95Very high153 Ų15354.8 Ų54.872%0.71530%0.296SS*.THydrogen-bonded Turntrans-88.95.2-177.4-57.774.2-161.900113.4V10 R14V10-E12 PolarHBondContact O-N 3.38Å; E12-R14 PolarHBondContact O-N 3.49Å; E12-R14 VanDerWaalsContact O-N 3.16Å
13T93.6Very high95.4Very high21 Ų2152.4 Ų52.413%0.12928%0.281CS..  trans-64.6117.1180-66.70000110.7M9 V10 P11 A20 L22M9-T13 HydrophobicContact CE-CG2 4.48Å; M9-T13 HydrophobicContact SD-CG2 4.15Å; V10-T13 WeakPolarHBondContact CG2-OG1 3.43Å; V10-T13 PolarHBondContact N-OG1 2.97Å; V10-T13 WeakPolarHBondContact O-CB 3.22Å; V10-T13 PolarHBondContact O-N 3.07Å; V10-T13 VanDerWaalsContact O-N 3.09Å; V10-T13 PolarHBondContact O-OG1 3.01Å; V10-T13 VanDerWaalsContact O-OG1 3.11Å; P11-T13 VanDerWaalsContact C-N 3.32Å; T13-A20 HydrophobicContact CG2-CB 3.77Å; T13-L22 HydrophobicContact CG2-CD2 3.84Å
14R94.7Very high95.4Very high160 Ų16052 Ų5260%0.60428%0.277SS*.  trans-63.7148.9172.6-65.1-174.7-63.5165.13.7110.3E12 L21E12-R14 PolarHBondContact O-N 3.49Å; E12-R14 VanDerWaalsContact O-N 3.16Å; R14-L21 HydrophobicContact CB-CB 4.41Å; R14-L21 WeakPolarHBondContact O-CA 3.15Å; R14-L21 VanDerWaalsContact O-CB 3.28Å; R14-L21 WeakPolarHBondContact O-CB 3.43Å; R14-L21 PolarHBondContact O-N 3.37Å
15L96.9Very high95.3Very high83 Ų8353.2 Ų53.244%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-110.3156.1176.9-53.9-176.9000111.1M9 M19 A20 E63M9-L15 HydrophobicContact CE-CD2 4.42Å; L15-M19 CarbonylContact C-O 3.57Å; L15-M19 VanDerWaalsContact CA-O 3.25Å; L15-M19 WeakPolarHBondContact CA-O 3.31Å; L15-A20 HydrophobicContact CD2-CB 4.41Å; L15-E63 HydrophobicContact CD1-CG 3.96Å; L15-E63 HydrophobicContact CD2-CB 3.71Å; L15-E63 HydrophobicContact CD2-CG 3.74Å
16V97.1Very high95Very high2 Ų253.4 Ų53.41%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-131.8113.5164.759.70000107.9N18 M19 L21 E125 T128 M129 Y132V16-N18 PolarHBondContact O-N 2.89Å; V16-M19 HydrophobicContact CG1-CB 4.36Å; V16-M19 PolarHBondContact N-O 3.24Å; V16-M19 WeakPolarHBondContact O-CB 3.33Å; V16-M19 PolarHBondContact O-N 3.04Å; V16-M19 VanDerWaalsContact O-N 3.08Å; V16-L21 HydrophobicContact CB-CD1 4.38Å; V16-L21 HydrophobicContact CG1-CB 4.37Å; V16-L21 HydrophobicContact CG1-CD1 4.47Å; V16-E125 HydrophobicContact CG2-CG 4.06Å; V16-T128 HydrophobicContact CG2-CG2 4.24Å; V16-M129 HydrophobicContact CG2-CB 3.63Å; V16-M129 HydrophobicContact CG2-CE 4.1Å; V16-M129 HydrophobicContact CG2-CG 4.19Å; V16-Y132 HydrophobicContact CG1-CD1 3.78Å; V16-Y132 HydrophobicContact CG1-CE1 4.37Å
17G96.8Very high94.8Very high19 Ų1960.5 Ų60.520%0.19632%0.32CS..THydrogen-bonded Turntrans58.7-120.4-158.300000110.2E125G17-E125 WeakPolarHBondContact CA-OE1 3.01Å; G17-E125 PolarHBondContact N-OE1 3.39Å
18N97.7Very high94.8Very high33 Ų3358.1 Ų58.118%0.17630%0.298CS..THydrogen-bonded Turntrans-112.920.5172.968.6-12.8000113.1V16 E63 R66 M116 Y117 A118V16-N18 PolarHBondContact O-N 2.89Å; N18-E63 WeakPolarHBondContact O-CG 3.15Å; N18-R66 PolarHBondContact ND2-NE 3.11Å; N18-R66 VanDerWaalsContact ND2-NE 3.12Å; N18-R66 VanDerWaalsContact O-CD 3.31Å; N18-R66 WeakPolarHBondContact O-CD 3.26Å; N18-R66 PolarHBondContact O-NH1 3.39Å; N18-R66 VanDerWaalsContact O-NH1 3.09Å; N18-M116 PolarHBondContact ND2-O 3.44Å; N18-Y117 WeakPolarHBondContact OD1-CA 3.41Å; N18-A118 HydrophobicContact CB-CB 3.95Å; N18-A118 VanDerWaalsContact CG-N 3.27Å; N18-A118 PolarHBondContact ND2-N 3.37Å; N18-A118 PolarHBondContact OD1-N 2.82Å
19M98.3Very high94.8Very high1 Ų165.2 Ų65.21%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-98.1143.5173.3-59.3-179.865.400110.3L15 V16 L21 R66 Y70 Y117 L133L15-M19 CarbonylContact C-O 3.57Å; L15-M19 VanDerWaalsContact CA-O 3.25Å; L15-M19 WeakPolarHBondContact CA-O 3.31Å; V16-M19 HydrophobicContact CG1-CB 4.36Å; V16-M19 PolarHBondContact N-O 3.24Å; V16-M19 WeakPolarHBondContact O-CB 3.33Å; V16-M19 PolarHBondContact O-N 3.04Å; V16-M19 VanDerWaalsContact O-N 3.08Å; M19-L21 PolarHBondContact O-N 2.68Å; M19-R66 HydrophobicContact CG-CB 4.11Å; M19-Y70 HydrophobicContact CE-CG 4.31Å; M19-Y117 HydrophobicContact CE-CE1 4.02Å; M19-Y117 HydrophobicContact CG-CD1 3.73Å; M19-Y117 HydrophobicContact CG-CE1 3.71Å; M19-Y117 HydrophobicContact SD-CD1 3.74Å; M19-Y117 HydrophobicContact SD-CE1 3.63Å; M19-L133 HydrophobicContact CE-CD2 3.78Å; M19-L133 HydrophobicContact SD-CD2 4.15Å
20A97.9Very high94.8Very high0 Ų064.1 Ų64.10%033%0.33CS..EExtended strand (participates in β ladder)trans-73.3121.8171.800000110.3M9 T13 L15 L22 E63 A64 T67 Y132M9-A20 HydrophobicContact SD-CB 4.13Å; T13-A20 HydrophobicContact CG2-CB 3.77Å; L15-A20 HydrophobicContact CD2-CB 4.41Å; A20-L22 HydrophobicContact CB-CD1 4.27Å; A20-L22 HydrophobicContact CB-CD2 4.24Å; A20-L22 HydrophobicContact CB-CG 3.83Å; A20-L22 PolarHBondContact O-N 2.75Å; A20-E63 HydrophobicContact CB-CB 4.02Å; A20-E63 PolarHBondContact N-O 3.47Å; A20-E63 VanDerWaalsContact N-O 3.1Å; A20-A64 HydrophobicContact CB-CB 4.19Å; A20-T67 PolarHBondContact N-OG1 3.44Å; A20-T67 PolarHBondContact O-OG1 3.38Å; A20-Y132 PolarHBondContact O-OH 3.13Å
21L96.9Very high95Very high14 Ų1462 Ų627%0.07332%0.318CS..  trans-80.671.7171.7-161.8165.1000108.3R14 V16 M19 P31 A32 T128 Y132R14-L21 HydrophobicContact CB-CB 4.41Å; R14-L21 WeakPolarHBondContact O-CA 3.15Å; R14-L21 VanDerWaalsContact O-CB 3.28Å; R14-L21 WeakPolarHBondContact O-CB 3.43Å; R14-L21 PolarHBondContact O-N 3.37Å; V16-L21 HydrophobicContact CB-CD1 4.38Å; V16-L21 HydrophobicContact CG1-CB 4.37Å; V16-L21 HydrophobicContact CG1-CD1 4.47Å; M19-L21 PolarHBondContact O-N 2.68Å; L21-P31 HydrophobicContact CD1-CB 4.39Å; L21-A32 HydrophobicContact CD2-CB 4.28Å; L21-T128 HydrophobicContact CD1-CG2 4.16Å; L21-Y132 HydrophobicContact CG-CD2 4.28Å; L21-Y132 HydrophobicContact CG-CE2 4.37Å; L21-Y132 HydrophobicContact CG-CG 4.36Å
22L96.1Very high95.2Very high6 Ų656.5 Ų56.53%0.03128%0.283CS..  trans-72.7140.4-178.5-68169.6000110.7L8 T13 A20 V24 I41 A64 Y132L8-L22 HydrophobicContact CB-CD1 4.29Å; L8-L22 HydrophobicContact CB-CD2 4.34Å; L8-L22 WeakPolarHBondContact O-CD2 3.01Å; T13-L22 HydrophobicContact CG2-CD2 3.84Å; A20-L22 HydrophobicContact CB-CD1 4.27Å; A20-L22 HydrophobicContact CB-CD2 4.24Å; A20-L22 HydrophobicContact CB-CG 3.83Å; A20-L22 PolarHBondContact O-N 2.75Å; L22-V24 WeakPolarHBondContact O-CG2 3.32Å; L22-I41 HydrophobicContact CB-CB 4.45Å; L22-I41 HydrophobicContact CB-CG2 4.4Å; L22-I41 HydrophobicContact CD1-CB 3.8Å; L22-I41 HydrophobicContact CD1-CD1 3.74Å; L22-I41 HydrophobicContact CD1-CG1 3.76Å; L22-I41 HydrophobicContact CD1-CG2 4.47Å; L22-A64 HydrophobicContact CD1-CB 3.97Å; L22-Y132 PolarHBondContact N-OH 3.32Å; L22-Y132 PolarHBondContact O-OH 2.85Å
23P95.3Very high94.9Very high58 Ų5858.6 Ų58.638%0.37728%0.284SS..  trans-56.4145.5169.3-23.534.5000111.7V37P23-V37 HydrophobicContact CB-CG2 4.03Å
24V95.6Very high94Very high2 Ų258 Ų581%0.01228%0.282CS..  trans-138.9134.6179.4-161.90000108.5L22 T26 A32 G34 D40 I41 I42 Y132 L136 E139L22-V24 WeakPolarHBondContact O-CG2 3.32Å; V24-T26 HydrophobicContact CB-CG2 4.47Å; V24-T26 PolarHBondContact O-N 3.43Å; V24-T26 VanDerWaalsContact O-N 3.11Å; V24-A32 HydrophobicContact CG2-CB 3.92Å; V24-G34 VanDerWaalsContact O-CA 3.31Å; V24-G34 WeakPolarHBondContact O-CA 3.4Å; V24-G34 PolarHBondContact O-N 3.27Å; V24-D40 HydrophobicContact CG1-CB 4.46Å; V24-D40 WeakPolarHBondContact CG1-OD2 3.44Å; V24-I41 HydrophobicContact CG2-CG2 4.42Å; V24-I42 HydrophobicContact CG1-CD1 3.46Å; V24-I42 VanDerWaalsContact CG1-CD1 3.46Å; V24-I42 HydrophobicContact CG1-CG1 3.97Å; V24-Y132 HydrophobicContact CG2-CE2 4.49Å; V24-L136 HydrophobicContact CG2-CD2 3.9Å; V24-E139 HydrophobicContact CG1-CG 4.2Å
25K94.5Very high92.8Very high125 Ų12557.6 Ų57.654%0.54329%0.292SS..  trans-76.695.5175.8-179.8177.9-179.4174.50109.6D40 R143K25-D40 PolarHBondContact N-OD2 2.88Å; K25-R143 PolarHBondContact O-NH2 3.08Å
26T93.3Very high91.5Very high38 Ų3857.4 Ų57.423%0.23331%0.31CS..  trans-143.4148.7-171.9-176.40000112.6V24 F28 Q135 E139V24-T26 HydrophobicContact CB-CG2 4.47Å; V24-T26 PolarHBondContact O-N 3.43Å; V24-T26 VanDerWaalsContact O-N 3.11Å; T26-F28 WeakPolarHBondContact OG1-CD2 3.35Å; T26-F28 PolarHBondContact OG1-N 3.42Å; T26-Q135 HydrophobicContact CG2-CG 3.99Å; T26-E139 WeakPolarHBondContact CA-OE2 3.31Å; T26-E139 WeakPolarHBondContact CB-OE2 3.47Å; T26-E139 PolarHBondContact OG1-OE2 2.92Å
27Q92.4Very high90.9Very high158 Ų15859.7 Ų59.774%0.73832%0.324SS*.SBendtrans-88.4-10.7168.763.1-177.7-900112.8
28F94.9Very high90.2Very high42 Ų4266.2 Ų66.218%0.18435%0.354CS..SBendtrans-79.7137-178.8-61.8-72000110.7T26 Q135 Q138 E139 L142T26-F28 WeakPolarHBondContact OG1-CD2 3.35Å; T26-F28 PolarHBondContact OG1-N 3.42Å; F28-Q135 HydrophobicContact CB-CG 4.42Å; F28-Q135 PolarHBondContact O-NE2 3.47Å; F28-Q138 HydrophobicContact CB-CB 4.28Å; F28-Q138 HydrophobicContact CD1-CB 3.85Å; F28-Q138 HydrophobicContact CD1-CG 4.34Å; F28-Q138 HydrophobicContact CD2-CB 3.64Å; F28-Q138 HydrophobicContact CE1-CB 4.06Å; F28-Q138 HydrophobicContact CE2-CB 3.88Å; F28-Q138 HydrophobicContact CG-CB 3.64Å; F28-Q138 HydrophobicContact CZ-CB 4.07Å; F28-E139 HydrophobicContact CD2-CB 4.16Å; F28-E139 WeakPolarHBondContact CD2-OE2 3.33Å; F28-L142 HydrophobicContact CE2-CB 4.24Å; F28-L142 HydrophobicContact CE2-CD2 3.87Å; F28-L142 HydrophobicContact CZ-CD2 4.1Å
29K94.1Very high89.9Confident202 Ų20267.7 Ų67.788%0.87837%0.367SS*.  trans-64.9137.2177.9-66.7-176.6179.4-179.80110.2
30G95.1Very high89.8Confident34 Ų3467.8 Ų67.835%0.35137%0.368SS..SBendtrans170.8-179.6174.500000112.1A32 Q135G30-A32 VanDerWaalsContact C-N 3.32Å; G30-A32 PolarHBondContact O-N 3.23Å; G30-Q135 VanDerWaalsContact C-OE1 3.3Å; G30-Q135 VanDerWaalsContact CA-CD 3.45Å
31P95.7Very high89.8Confident32 Ų3267.8 Ų67.821%0.20837%0.368CS..SBendtrans-76.4-16.2-173.731.1-36.2000113.9L21 T128 A131 Y132L21-P31 HydrophobicContact CD1-CB 4.39Å; P31-T128 HydrophobicContact CB-CG2 4.14Å; P31-T128 HydrophobicContact CG-CG2 4.24Å; P31-A131 HydrophobicContact CG-CB 4.36Å; P31-Y132 HydrophobicContact CG-CD2 4.32Å; P31-Y132 HydrophobicContact CG-CG 4.39Å
32A91.3Very high89.8Confident4 Ų467.1 Ų67.13%0.03336%0.364CS..  trans-84.4119.3174.500000110.1L21 V24 G30 Y132 Q135L21-A32 HydrophobicContact CD2-CB 4.28Å; V24-A32 HydrophobicContact CG2-CB 3.92Å; G30-A32 VanDerWaalsContact C-N 3.32Å; G30-A32 PolarHBondContact O-N 3.23Å; A32-Y132 HydrophobicContact CB-CD2 3.88Å; A32-Y132 HydrophobicContact CB-CE2 3.64Å; A32-Q135 VanDerWaalsContact CB-OE1 3.25Å; A32-Q135 PolarHBondContact O-NE2 3.36Å
33R83.9Confident89.9Confident197 Ų19768.9 Ų68.974%0.74337%0.374SS*.  trans-114.1107.8178.4-54.8-178.985.1168.86107.2
34G75.2Confident90Very high9 Ų966.8 Ų66.89%0.09336%0.359CS..  trans-109.634.5-178.700000113.5V24 G36 V37V24-G34 VanDerWaalsContact O-CA 3.31Å; V24-G34 WeakPolarHBondContact O-CA 3.4Å; V24-G34 PolarHBondContact O-N 3.27Å; G34-G36 PolarHBondContact O-N 3.47Å; G34-V37 VanDerWaalsContact CA-CG2 3.43Å; G34-V37 WeakPolarHBondContact O-CG2 3.26Å; G34-V37 PolarHBondContact O-N 2.88Å
35D70.9Confident90.2Very high150 Ų15066.7 Ų66.780%0.80236%0.358SS*.THydrogen-bonded Turntrans-58.7109.9174.5-62-36.2000108.6
36G69.3Low90.4Very high80 Ų8061.3 Ų61.383%0.82534%0.335SS*.THydrogen-bonded Turntrans93.110.6176.800000117.6G34G34-G36 PolarHBondContact O-N 3.47Å
37V83.3Confident90.6Very high49 Ų4968.4 Ų68.430%0.29736%0.359SS..  trans-87.2128.6168-108.40000111.4P23 G34P23-V37 HydrophobicContact CB-CG2 4.03Å; G34-V37 VanDerWaalsContact CA-CG2 3.43Å; G34-V37 WeakPolarHBondContact O-CG2 3.26Å; G34-V37 PolarHBondContact O-N 2.88Å
38D83.2Confident90.9Very high157 Ų15762.9 Ų62.984%0.8433%0.332SS*.SBendtrans-80.3-31.3178.6-73.2-32.4000113.3
39S90.4Very high91.1Very high64 Ų6460.9 Ų60.945%0.44832%0.323SS..SBendtrans-141.7139.1176.3-176.40000109.6
40D96.3Very high91.2Very high3 Ų355 Ų552%0.01630%0.297CS..  trans-132-177.8-177.964.643.2000113.4L8 V24 K25 I42 D43 E44 R143L8-D40 VanDerWaalsContact CD1-C 3.47Å; V24-D40 HydrophobicContact CG1-CB 4.46Å; V24-D40 WeakPolarHBondContact CG1-OD2 3.44Å; K25-D40 PolarHBondContact N-OD2 2.88Å; D40-I42 PolarHBondContact O-N 3.05Å; D40-I42 WeakPolarHBondContact OD1-CB 3.43Å; D40-I42 PolarHBondContact OD1-N 3.1Å; D40-D43 PolarHBondContact N-OD2 3.04Å; D40-D43 VanDerWaalsContact N-OD2 3.14Å; D40-D43 WeakPolarHBondContact O-CB 3.18Å; D40-D43 PolarHBondContact O-N 3.12Å; D40-D43 VanDerWaalsContact O-N 3.08Å; D40-D43 PolarHBondContact OD1-N 3.2Å; D40-E44 PolarHBondContact O-N 3.31Å; D40-E44 VanDerWaalsContact O-N 3.08Å; D40-R143 IonicContact OD1-CZ 3.54Å; D40-R143 IonicContact OD1-NH1 3.19Å; D40-R143 PolarHBondContact OD1-NH1 3.21Å; D40-R143 IonicContact OD1-NH2 3.66Å; D40-R143 IonicContact OD2-CZ 3.67Å; D40-R143 IonicContact OD2-NH1 2.83Å; D40-R143 PolarHBondContact OD2-NH1 2.87Å; D40-R143 VanDerWaalsContact OD2-NH1 3.16Å; D40-R143 IonicContact OD2-NH2 3.71Å; D40-R143 PolarHBondContact OD2-NH2 3.11Å
41I97.9Very high91.4Very high0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-61.8-25.5-175.1-165.759.9000113.4S6 L8 L22 V24 A45 T67 L68 L136S6-I41 WeakPolarHBondContact OG-CD1 3.36Å; L8-I41 HydrophobicContact CD1-CB 4.18Å; L8-I41 HydrophobicContact CD1-CD1 4.27Å; L22-I41 HydrophobicContact CB-CB 4.45Å; L22-I41 HydrophobicContact CB-CG2 4.4Å; L22-I41 HydrophobicContact CD1-CB 3.8Å; L22-I41 HydrophobicContact CD1-CD1 3.74Å; L22-I41 HydrophobicContact CD1-CG1 3.76Å; L22-I41 HydrophobicContact CD1-CG2 4.47Å; V24-I41 HydrophobicContact CG2-CG2 4.42Å; I41-A45 VanDerWaalsContact O-CB 3.31Å; I41-A45 WeakPolarHBondContact O-CB 3.49Å; I41-A45 PolarHBondContact O-N 3.5Å; I41-T67 HydrophobicContact CG1-CG2 3.89Å; I41-T67 HydrophobicContact CG2-CG2 4.14Å; I41-L68 HydrophobicContact CD1-CB 4.04Å; I41-L68 HydrophobicContact CD1-CD1 4.08Å; I41-L136 HydrophobicContact CG2-CD2 4.1Å
42I98.3Very high91.5Very high0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-75.2-39177.6-61.1-179.5000109.4V24 D40 A45 I46 L136 E139 T140V24-I42 HydrophobicContact CG1-CD1 3.46Å; V24-I42 VanDerWaalsContact CG1-CD1 3.46Å; V24-I42 HydrophobicContact CG1-CG1 3.97Å; D40-I42 PolarHBondContact O-N 3.05Å; D40-I42 WeakPolarHBondContact OD1-CB 3.43Å; D40-I42 PolarHBondContact OD1-N 3.1Å; I42-A45 PolarHBondContact O-N 3.39Å; I42-I46 HydrophobicContact CG2-CD1 3.9Å; I42-I46 HydrophobicContact CG2-CG1 4.44Å; I42-I46 WeakPolarHBondContact O-CB 3.43Å; I42-I46 VanDerWaalsContact O-CG1 3.31Å; I42-I46 WeakPolarHBondContact O-CG1 3.28Å; I42-I46 PolarHBondContact O-N 3.45Å; I42-L136 HydrophobicContact CD1-CD2 4.14Å; I42-L136 HydrophobicContact CG1-CD2 4.14Å; I42-E139 HydrophobicContact CD1-CB 3.6Å; I42-E139 HydrophobicContact CD1-CG 3.59Å; I42-T140 HydrophobicContact CG2-CG2 4.45Å
43D97.8Very high91.8Very high43 Ų4353.4 Ų53.423%0.2328%0.284CS..Hα-helixtrans-64-45.5174.5-58.5-45.9000111.3D40 A45 I46 Y47 R143D40-D43 PolarHBondContact N-OD2 3.04Å; D40-D43 VanDerWaalsContact N-OD2 3.14Å; D40-D43 WeakPolarHBondContact O-CB 3.18Å; D40-D43 PolarHBondContact O-N 3.12Å; D40-D43 VanDerWaalsContact O-N 3.08Å; D40-D43 PolarHBondContact OD1-N 3.2Å; D43-A45 VanDerWaalsContact C-N 3.34Å; D43-A45 PolarHBondContact O-N 2.94Å; D43-I46 PolarHBondContact O-N 2.99Å; D43-Y47 VanDerWaalsContact O-CB 3.22Å; D43-Y47 WeakPolarHBondContact O-CB 3.49Å; D43-Y47 PolarHBondContact O-N 3.14Å; D43-R143 IonicContact OD1-CZ 2.88Å; D43-R143 IonicContact OD1-NH1 3.65Å; D43-R143 PolarHBondContact OD1-NH1 2.66Å; D43-R143 IonicContact OD2-NH1 2.82Å; D43-R143 PolarHBondContact OD2-NH1 3.08Å; D43-R143 VanDerWaalsContact OD2-NH1 3.1Å
44E97.8Very high92.4Very high14 Ų1449.5 Ų49.57%0.06527%0.273CS..Hα-helixtrans-57.2-46.6173.2-83.5-163.6151.200111.2S6 S7 L8 D40 I46 Y47 Y48 L68S6-E44 VanDerWaalsContact CA-OE2 3.27Å; S6-E44 WeakPolarHBondContact CA-OE2 3.23Å; S6-E44 VanDerWaalsContact CB-OE2 3.29Å; S6-E44 WeakPolarHBondContact CB-OE2 3.47Å; S6-E44 PolarHBondContact OG-OE2 2.88Å; S7-E44 PolarHBondContact N-OE1 2.89Å; S7-E44 PolarHBondContact N-OE2 3.06Å; S7-E44 PolarHBondContact OG-OE1 3.49Å; L8-E44 HydrophobicContact CD1-CG 4.07Å; L8-E44 HydrophobicContact CG-CG 4.37Å; D40-E44 PolarHBondContact O-N 3.31Å; D40-E44 VanDerWaalsContact O-N 3.08Å; E44-I46 PolarHBondContact O-N 3.34Å; E44-Y47 PolarHBondContact O-N 3.1Å; E44-Y48 HydrophobicContact CB-CD2 4.24Å; E44-Y48 HydrophobicContact CB-CE2 4.1Å; E44-Y48 HydrophobicContact CG-CE2 4.17Å; E44-Y48 WeakPolarHBondContact O-CB 3.33Å; E44-Y48 WeakPolarHBondContact O-CD2 3.43Å; E44-Y48 PolarHBondContact O-N 3.19Å; E44-L68 HydrophobicContact CB-CD1 4.29Å
45A98.6Very high93.5Very high0 Ų051.5 Ų51.50%028%0.279CS..Hα-helixtrans-61-47.1179.800000112.3I41 I42 D43 Y47 Y48 F49 L68 V71 I75I41-A45 VanDerWaalsContact O-CB 3.31Å; I41-A45 WeakPolarHBondContact O-CB 3.49Å; I41-A45 PolarHBondContact O-N 3.5Å; I42-A45 PolarHBondContact O-N 3.39Å; D43-A45 VanDerWaalsContact C-N 3.34Å; D43-A45 PolarHBondContact O-N 2.94Å; A45-Y47 VanDerWaalsContact C-N 3.34Å; A45-Y48 PolarHBondContact O-N 3.08Å; A45-F49 WeakPolarHBondContact O-CA 3.21Å; A45-F49 VanDerWaalsContact O-CB 3.28Å; A45-F49 WeakPolarHBondContact O-CB 3.31Å; A45-F49 PolarHBondContact O-N 3.33Å; A45-L68 HydrophobicContact CB-CD1 3.76Å; A45-V71 HydrophobicContact CB-CB 3.79Å; A45-V71 HydrophobicContact CB-CG1 3.36Å; A45-I75 HydrophobicContact CB-CD1 4.09Å
46I98.5Very high94.6Very high11 Ų1150.8 Ų50.86%0.05627%0.268CS..Hα-helixtrans-64.1-41.3178-69.6172.5000110.5I42 D43 E44 I75 R143 R147 W160I42-I46 HydrophobicContact CG2-CD1 3.9Å; I42-I46 HydrophobicContact CG2-CG1 4.44Å; I42-I46 WeakPolarHBondContact O-CB 3.43Å; I42-I46 VanDerWaalsContact O-CG1 3.31Å; I42-I46 WeakPolarHBondContact O-CG1 3.28Å; I42-I46 PolarHBondContact O-N 3.45Å; D43-I46 PolarHBondContact O-N 2.99Å; E44-I46 PolarHBondContact O-N 3.34Å; I46-I75 HydrophobicContact CG1-CD1 3.95Å; I46-R143 HydrophobicContact CD1-CB 4Å; I46-R147 HydrophobicContact CG2-CG 4.12Å; I46-W160 HydrophobicContact CG2-CH2 4.02Å
47Y98.1Very high95.8Very high187 Ų18753.8 Ų53.873%0.73327%0.266SS*.Hα-helixtrans-63.5-45.9178.4-179.3-106.2000111.9D43 E44 A45D43-Y47 VanDerWaalsContact O-CB 3.22Å; D43-Y47 WeakPolarHBondContact O-CB 3.49Å; D43-Y47 PolarHBondContact O-N 3.14Å; E44-Y47 PolarHBondContact O-N 3.1Å; A45-Y47 VanDerWaalsContact C-N 3.34Å
48Y98.4Very high96.4Very high43 Ų4352.3 Ų52.317%0.16926%0.255CS..Hα-helixtrans-81.5-16.8-179.2-63.6-43.1000114.4Y4 E44 A45 K50 A51 N52 L68Y4-Y48 VanDerWaalsContact CB-CD1 3.48Å; Y4-Y48 AromaticContact CD1-CD1 3.79Å; Y4-Y48 HydrophobicContact CD1-CD1 3.79Å; Y4-Y48 AromaticContact CD1-CE1 3.63Å; Y4-Y48 HydrophobicContact CD1-CE1 3.63Å; Y4-Y48 HydrophobicContact CD2-CD1 4.22Å; Y4-Y48 HydrophobicContact CE1-CE1 4.44Å; Y4-Y48 AromaticContact CG-CD1 3.57Å; Y4-Y48 HydrophobicContact CG-CD1 3.57Å; Y4-Y48 AromaticContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CE1 3.88Å; Y4-Y48 HydrophobicContact CG-CG 4.13Å; E44-Y48 HydrophobicContact CB-CD2 4.24Å; E44-Y48 HydrophobicContact CB-CE2 4.1Å; E44-Y48 HydrophobicContact CG-CE2 4.17Å; E44-Y48 WeakPolarHBondContact O-CB 3.33Å; E44-Y48 WeakPolarHBondContact O-CD2 3.43Å; E44-Y48 PolarHBondContact O-N 3.19Å; A45-Y48 PolarHBondContact O-N 3.08Å; Y48-K50 PolarHBondContact O-N 3.34Å; Y48-A51 PolarHBondContact O-N 3.09Å; Y48-N52 PolarHBondContact O-N 2.8Å; Y48-L68 HydrophobicContact CD2-CD2 4.39Å
49F98.6Very high97Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-49-52.1-170.1175.9-100.7000113.8A45 A51 N52 V53 T72 I75 L79 W160 F163A45-F49 WeakPolarHBondContact O-CA 3.21Å; A45-F49 VanDerWaalsContact O-CB 3.28Å; A45-F49 WeakPolarHBondContact O-CB 3.31Å; A45-F49 PolarHBondContact O-N 3.33Å; F49-A51 PolarHBondContact O-N 3.28Å; F49-A51 VanDerWaalsContact O-N 3.12Å; F49-N52 PolarHBondContact O-N 2.73Å; F49-V53 HydrophobicContact CD2-CB 4.49Å; F49-V53 HydrophobicContact CE2-CB 4.12Å; F49-V53 HydrophobicContact CE2-CG2 3.96Å; F49-V53 HydrophobicContact CZ-CB 4.17Å; F49-V53 HydrophobicContact CZ-CG2 3.89Å; F49-V53 WeakPolarHBondContact O-CB 3.47Å; F49-V53 WeakPolarHBondContact O-CG1 3.46Å; F49-V53 PolarHBondContact O-N 2.95Å; F49-T72 HydrophobicContact CD2-CG2 4.17Å; F49-I75 HydrophobicContact CB-CD1 4.25Å; F49-I75 HydrophobicContact CD1-CG2 4.09Å; F49-I75 HydrophobicContact CD2-CB 3.8Å; F49-I75 HydrophobicContact CD2-CD1 4.1Å; F49-I75 HydrophobicContact CD2-CG2 3.46Å; F49-I75 VanDerWaalsContact CD2-CG2 3.46Å; F49-I75 HydrophobicContact CE1-CG2 4.06Å; F49-I75 HydrophobicContact CE2-CB 3.83Å; F49-I75 HydrophobicContact CE2-CG2 3.43Å; F49-I75 VanDerWaalsContact CE2-CG2 3.43Å; F49-I75 HydrophobicContact CG-CD1 4.39Å; F49-I75 HydrophobicContact CG-CG2 3.8Å; F49-I75 HydrophobicContact CZ-CG2 3.75Å; F49-L79 HydrophobicContact CE1-CD1 3.6Å; F49-L79 HydrophobicContact CZ-CD1 3.58Å; F49-W160 HydrophobicContact CD1-CE3 4.28Å; F49-W160 AromaticContact CD1-CZ3 3.67Å; F49-W160 HydrophobicContact CD1-CZ3 3.67Å; F49-W160 HydrophobicContact CE1-CE3 4.42Å; F49-W160 HydrophobicContact CE1-CZ3 4.22Å; F49-W160 HydrophobicContact CG-CZ3 4.43Å; F49-F163 HydrophobicContact CE1-CB 3.85Å; F49-F163 HydrophobicContact CE1-CD2 4.44Å; F49-F163 HydrophobicContact CE1-CG 4.08Å; F49-F163 HydrophobicContact CZ-CB 4.21Å
50K97.8Very high97.3Very high77 Ų7751 Ų5134%0.33524%0.237SC..Hα-helixtrans-63.1-24.1-173.9-63.5-167.1-176.1-160.80113.1Y48 F54 W159 F163Y48-K50 PolarHBondContact O-N 3.34Å; K50-F54 WeakPolarHBondContact O-CD2 3.3Å; K50-F54 VanDerWaalsContact O-CE2 3.26Å; K50-F54 WeakPolarHBondContact O-CE2 3.46Å; K50-W159 PolarHBondContact NZ-O 3.15Å; K50-F163 HydrophobicContact CB-CE1 4.33Å; K50-F163 HydrophobicContact CB-CE2 4.32Å; K50-F163 HydrophobicContact CB-CZ 3.85Å; K50-F163 HydrophobicContact CD-CE2 3.77Å; K50-F163 HydrophobicContact CD-CZ 4Å; K50-F163 HydrophobicContact CG-CD2 4.48Å; K50-F163 HydrophobicContact CG-CE2 3.79Å; K50-F163 HydrophobicContact CG-CZ 3.85Å
51A97.5Very high97.4Very high37 Ų3757.1 Ų57.131%0.30626%0.264SS..Hα-helixtrans-89.4-51.1172.200000111.5Y4 Y48 F49 V53 F54 F55Y4-A51 HydrophobicContact CD2-CB 3.85Å; Y4-A51 HydrophobicContact CE2-CB 3.55Å; Y48-A51 PolarHBondContact O-N 3.09Å; F49-A51 PolarHBondContact O-N 3.28Å; F49-A51 VanDerWaalsContact O-N 3.12Å; A51-V53 VanDerWaalsContact C-N 3.3Å; A51-V53 PolarHBondContact O-N 2.86Å; A51-F54 PolarHBondContact O-N 3.44Å; A51-F55 WeakPolarHBondContact O-CD2 3.43Å; A51-F55 WeakPolarHBondContact O-CE2 3.49Å
52N98.1Very high97.3Very high0 Ų059 Ų590%027%0.274CS..Hα-helixtrans-61.6-34.6-173.9-84.6-1.3000113Y4 Y48 F49 F54 F55 F168Y4-N52 PolarHBondContact N-OD1 2.83Å; Y4-N52 PolarHBondContact O-ND2 2.96Å; Y48-N52 PolarHBondContact O-N 2.8Å; F49-N52 PolarHBondContact O-N 2.73Å; N52-F54 PolarHBondContact O-N 2.66Å; N52-F55 PolarHBondContact O-N 3.16Å; N52-F168 HydrophobicContact CB-CE2 4.44Å; N52-F168 WeakPolarHBondContact O-CD2 3.14Å; N52-F168 WeakPolarHBondContact O-CE2 3.37Å
53V97.9Very high97.3Very high1 Ų161.9 Ų61.91%0.00629%0.287CS..THydrogen-bonded Turntrans-59.7-18.6-17674.60000114.7F49 A51 F163 K166F49-V53 HydrophobicContact CD2-CB 4.49Å; F49-V53 HydrophobicContact CE2-CB 4.12Å; F49-V53 HydrophobicContact CE2-CG2 3.96Å; F49-V53 HydrophobicContact CZ-CB 4.17Å; F49-V53 HydrophobicContact CZ-CG2 3.89Å; F49-V53 WeakPolarHBondContact O-CB 3.47Å; F49-V53 WeakPolarHBondContact O-CG1 3.46Å; F49-V53 PolarHBondContact O-N 2.95Å; A51-V53 VanDerWaalsContact C-N 3.3Å; A51-V53 PolarHBondContact O-N 2.86Å; V53-F163 HydrophobicContact CG1-CD1 3.62Å; V53-F163 HydrophobicContact CG1-CE1 4.07Å; V53-K166 HydrophobicContact CG1-CB 4.34Å; V53-K166 HydrophobicContact CG2-CB 3.71Å
54F97Very high97.4Very high115 Ų11559.8 Ų59.850%0.50428%0.276SS..THydrogen-bonded Turntrans-85-15.3176.9-68.1-77.5000114.4K50 A51 N52 F163 K166K50-F54 WeakPolarHBondContact O-CD2 3.3Å; K50-F54 VanDerWaalsContact O-CE2 3.26Å; K50-F54 WeakPolarHBondContact O-CE2 3.46Å; A51-F54 PolarHBondContact O-N 3.44Å; N52-F54 PolarHBondContact O-N 2.66Å; F54-F163 HydrophobicContact CE2-CD1 4.34Å; F54-F163 AromaticContact CE2-CE1 3.63Å; F54-F163 HydrophobicContact CE2-CE1 3.63Å; F54-F163 HydrophobicContact CZ-CD1 4.27Å; F54-F163 AromaticContact CZ-CE1 3.74Å; F54-F163 HydrophobicContact CZ-CE1 3.74Å; F54-K166 HydrophobicContact CD1-CD 4.28Å; F54-K166 HydrophobicContact CE1-CD 3.92Å; F54-K166 HydrophobicContact CE1-CG 4.29Å
55F97.2Very high97.4Very high50 Ų5059.1 Ų59.122%0.21927%0.273CS..  trans-79.5130.3-174.8-72.6-90.4000111.6M1 P2 A3 A51 N52 F168 M169M1-F55 WeakPolarHBondContact O-CE1 3.41Å; M1-F55 WeakPolarHBondContact O-CZ 3.32Å; P2-F55 WeakPolarHBondContact O-CZ 3.4Å; A3-F55 HydrophobicContact CB-CB 4.4Å; A3-F55 HydrophobicContact CB-CD1 4.03Å; A3-F55 HydrophobicContact CB-CD2 4.13Å; A3-F55 HydrophobicContact CB-CE1 4.31Å; A3-F55 HydrophobicContact CB-CE2 4.38Å; A3-F55 HydrophobicContact CB-CG 3.92Å; A3-F55 HydrophobicContact CB-CZ 4.46Å; A51-F55 WeakPolarHBondContact O-CD2 3.43Å; A51-F55 WeakPolarHBondContact O-CE2 3.49Å; N52-F55 PolarHBondContact O-N 3.16Å; F55-F168 HydrophobicContact CB-CE2 4.26Å; F55-M169 PolarHBondContact O-N 2.8Å
56K94.8Very high97.4Very high135 Ų13561 Ų6159%0.58728%0.28SS*.SBendtrans-90.4-29.4175.8-66.2-178.7170.5178.80112.7M169K56-M169 WeakPolarHBondContact O-CA 3.5Å
57N94.3Very high97.4Very high143 Ų14360.5 Ų60.577%0.76528%0.278SS*.  trans-115.4136.5178.2-59.3-35.1000108.2
58Y96.5Very high97.4Very high19 Ų1951.6 Ų51.68%0.07524%0.243CC..  trans-141.8118.6177.3-168.2-78.3000108.2A3 Y4 H5 I60 D65 I69 F168A3-Y58 HydrophobicContact CB-CD2 3.5Å; A3-Y58 VanDerWaalsContact CB-CD2 3.5Å; A3-Y58 HydrophobicContact CB-CE2 3.7Å; Y4-Y58 WeakPolarHBondContact O-CE2 3.35Å; Y4-Y58 PolarHBondContact O-OH 3.37Å; H5-Y58 WeakPolarHBondContact CA-OH 3.41Å; H5-Y58 AromaticContact CE1-CE1 3.89Å; H5-Y58 AromaticContact CE1-CZ 3.9Å; H5-Y58 AromaticContact ND1-CE1 3.71Å; H5-Y58 AromaticContact ND1-CZ 3.61Å; H5-Y58 PolarHBondContact ND1-OH 2.84Å; Y58-I60 HydrophobicContact CD1-CG1 4.47Å; Y58-D65 HydrophobicContact CE1-CB 3.98Å; Y58-D65 PolarHBondContact OH-OD1 3.12Å; Y58-I69 HydrophobicContact CD1-CD1 3.69Å; Y58-I69 HydrophobicContact CD1-CG1 4.12Å; Y58-I69 HydrophobicContact CE1-CD1 3.83Å; Y58-I69 HydrophobicContact CE1-CG1 4.07Å; Y58-I69 HydrophobicContact CG-CD1 4.43Å; Y58-F168 AromaticContact CD2-CE2 3.85Å; Y58-F168 HydrophobicContact CD2-CE2 3.85Å; Y58-F168 AromaticContact CD2-CZ 3.47Å; Y58-F168 HydrophobicContact CD2-CZ 3.47Å; Y58-F168 VanDerWaalsContact CD2-CZ 3.47Å; Y58-F168 HydrophobicContact CE2-CZ 4.03Å; Y58-F168 HydrophobicContact CG-CE2 4.48Å; Y58-F168 AromaticContact CG-CZ 3.93Å; Y58-F168 HydrophobicContact CG-CZ 3.93Å
59E96Very high97.4Very high149 Ų14949.7 Ų49.770%0.69624%0.235SC*.  trans-82.3124.5175.7-176.7180-17200109.1H5 K61H5-E59 PolarHBondContact CE1-O 2.92Å; H5-E59 PolarHBondContact ND1-O 3.28Å; E59-K61 PolarHBondContact O-N 3.41Å
60I97.2Very high97.4Very high43 Ų4349.8 Ų49.822%0.22124%0.236CC..  trans-83.6110.9179.7-61.3170.1000108.1Y58 N62 D65 R66 I69 M116Y58-I60 HydrophobicContact CD1-CG1 4.47Å; I60-N62 VanDerWaalsContact CG2-O 3.26Å; I60-N62 WeakPolarHBondContact CG2-O 3.34Å; I60-D65 HydrophobicContact CG2-CB 4.12Å; I60-R66 HydrophobicContact CD1-CG 4.19Å; I60-R66 HydrophobicContact CG2-CG 3.84Å; I60-I69 HydrophobicContact CD1-CD1 4.25Å; I60-I69 HydrophobicContact CG1-CD1 3.89Å; I60-M116 HydrophobicContact CD1-CB 3.96Å; I60-M116 HydrophobicContact CD1-CG 4.36Å; I60-M116 HydrophobicContact CD1-SD 4.21Å
61K96.9Very high97.5Very high133 Ų13346.1 Ų46.158%0.57822%0.22SC*.  trans-83.7-33.3-179.2-65.6-177.9178.9171.30113H5 E59 D65H5-K61 HydrophobicContact CB-CD 4.3Å; H5-K61 PolarHBondContact CD2-NZ 3Å; H5-K61 VanDerWaalsContact CD2-NZ 3.28Å; H5-K61 WeakPolarHBondContact NE2-CE 3.37Å; H5-K61 PolarHBondContact NE2-NZ 3.18Å; E59-K61 PolarHBondContact O-N 3.41Å; K61-D65 WeakPolarHBondContact CB-OD2 3.31Å; K61-D65 PolarHBondContact N-OD2 3.47Å
62N97.2Very high97.5Very high39 Ų3944.4 Ų44.421%0.20921%0.206CC..SBendtrans-157-176.7-179.461.135.6000111.1M9 I60 A64 D65M9-N62 HydrophobicContact CG-CB 4.32Å; I60-N62 VanDerWaalsContact CG2-O 3.26Å; I60-N62 WeakPolarHBondContact CG2-O 3.34Å; N62-A64 VanDerWaalsContact C-N 3.32Å; N62-A64 PolarHBondContact O-N 3.48Å; N62-A64 WeakPolarHBondContact OD1-CA 3.5Å; N62-A64 WeakPolarHBondContact OD1-CB 3.47Å; N62-A64 PolarHBondContact OD1-N 2.99Å; N62-D65 WeakPolarHBondContact O-CB 3.45Å; N62-D65 PolarHBondContact O-N 3.38Å; N62-D65 PolarHBondContact OD1-N 3.12Å
63E98.3Very high97.5Very high60 Ų6044.5 Ų44.528%0.2821%0.206SC..Hα-helixtrans-70.9-25.9-178.1-66.863.3-140.100112.8M9 L15 N18 A20 D65 R66 T67M9-E63 HydrophobicContact CE-CB 4.35Å; M9-E63 HydrophobicContact SD-CB 4.49Å; L15-E63 HydrophobicContact CD1-CG 3.96Å; L15-E63 HydrophobicContact CD2-CB 3.71Å; L15-E63 HydrophobicContact CD2-CG 3.74Å; N18-E63 WeakPolarHBondContact O-CG 3.15Å; A20-E63 HydrophobicContact CB-CB 4.02Å; A20-E63 PolarHBondContact N-O 3.47Å; A20-E63 VanDerWaalsContact N-O 3.1Å; E63-D65 VanDerWaalsContact C-N 3.35Å; E63-R66 PolarHBondContact O-N 3.25Å; E63-R66 IonicContact OE1-NH1 3.42Å; E63-T67 PolarHBondContact O-N 3.23Å
64A98.1Very high97.6Very high0 Ų044.5 Ų44.50%021%0.206CC..Hα-helixtrans-67.8-35.2175.500000111.9M9 A20 L22 N62 R66 T67 L68M9-A64 HydrophobicContact CB-CB 3.93Å; M9-A64 HydrophobicContact SD-CB 4.2Å; A20-A64 HydrophobicContact CB-CB 4.19Å; L22-A64 HydrophobicContact CD1-CB 3.97Å; N62-A64 VanDerWaalsContact C-N 3.32Å; N62-A64 PolarHBondContact O-N 3.48Å; N62-A64 WeakPolarHBondContact OD1-CA 3.5Å; N62-A64 WeakPolarHBondContact OD1-CB 3.47Å; N62-A64 PolarHBondContact OD1-N 2.99Å; A64-R66 PolarHBondContact O-N 2.96Å; A64-T67 PolarHBondContact O-N 3.21Å; A64-T67 VanDerWaalsContact O-N 3.1Å; A64-L68 PolarHBondContact O-N 2.86Å
65D98.4Very high97.6Very high0 Ų039 Ų390%018%0.182CC..Hα-helixtrans-58.4-35.7172.1-84.9-21.6000112.2H5 S6 Y58 I60 K61 N62 E63 T67 L68 I69H5-D65 VanDerWaalsContact CA-OD1 3.31Å; H5-D65 WeakPolarHBondContact CA-OD1 3.38Å; H5-D65 VanDerWaalsContact CB-OD1 3.28Å; H5-D65 WeakPolarHBondContact CB-OD1 3.35Å; H5-D65 IonicContact CE1-OD2 3.23Å; H5-D65 IonicContact CG-OD1 3.42Å; H5-D65 IonicContact CG-OD2 3.13Å; H5-D65 IonicContact ND1-OD1 3.1Å; H5-D65 IonicContact ND1-OD2 3.53Å; H5-D65 PolarHBondContact ND1-OD2 3.35Å; S6-D65 PolarHBondContact N-OD1 3.09Å; Y58-D65 HydrophobicContact CE1-CB 3.98Å; Y58-D65 PolarHBondContact OH-OD1 3.12Å; I60-D65 HydrophobicContact CG2-CB 4.12Å; K61-D65 WeakPolarHBondContact CB-OD2 3.31Å; K61-D65 PolarHBondContact N-OD2 3.47Å; N62-D65 WeakPolarHBondContact O-CB 3.45Å; N62-D65 PolarHBondContact O-N 3.38Å; N62-D65 PolarHBondContact OD1-N 3.12Å; E63-D65 VanDerWaalsContact C-N 3.35Å; D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 PolarHBondContact O-N 3.34Å; D65-L68 PolarHBondContact O-N 2.82Å; D65-I69 WeakPolarHBondContact O-CB 3.42Å; D65-I69 WeakPolarHBondContact O-CD1 3.28Å; D65-I69 WeakPolarHBondContact O-CG1 3.05Å; D65-I69 PolarHBondContact O-N 3.42Å
66R98.5Very high97.7Very high39 Ų3937 Ų3715%0.14717%0.174CC..Hα-helixtrans-67.3-35.7177-64.3-163.8-170.775.28.2112N18 M19 I60 E63 A64 Y70 M116 Y117N18-R66 PolarHBondContact ND2-NE 3.11Å; N18-R66 VanDerWaalsContact ND2-NE 3.12Å; N18-R66 VanDerWaalsContact O-CD 3.31Å; N18-R66 WeakPolarHBondContact O-CD 3.26Å; N18-R66 PolarHBondContact O-NH1 3.39Å; N18-R66 VanDerWaalsContact O-NH1 3.09Å; M19-R66 HydrophobicContact CG-CB 4.11Å; I60-R66 HydrophobicContact CD1-CG 4.19Å; I60-R66 HydrophobicContact CG2-CG 3.84Å; E63-R66 PolarHBondContact O-N 3.25Å; E63-R66 IonicContact OE1-NH1 3.42Å; A64-R66 PolarHBondContact O-N 2.96Å; R66-Y70 PolarHBondContact O-N 3.28Å; R66-M116 PolarHBondContact NE-O 2.57Å; R66-Y117 WeakPolarHBondContact CA-OH 3.33Å; R66-Y117 HydrophobicContact CB-CD1 4.49Å; R66-Y117 HydrophobicContact CB-CE1 3.75Å; R66-Y117 HydrophobicContact CG-CE1 4.43Å; R66-Y117 PolarHBondContact O-OH 3.43Å
67T98.5Very high97.8Very high0 Ų030.9 Ų30.90%015%0.148CC..Hα-helixtrans-68.4-44.3172.8-54.20000110.6A20 I41 E63 A64 D65 I69 Y70 V71 Y132 L136A20-T67 PolarHBondContact N-OG1 3.44Å; A20-T67 PolarHBondContact O-OG1 3.38Å; I41-T67 HydrophobicContact CG1-CG2 3.89Å; I41-T67 HydrophobicContact CG2-CG2 4.14Å; E63-T67 PolarHBondContact O-N 3.23Å; A64-T67 PolarHBondContact O-N 3.21Å; A64-T67 VanDerWaalsContact O-N 3.1Å; D65-T67 VanDerWaalsContact C-N 3.33Å; D65-T67 PolarHBondContact O-N 3.34Å; T67-I69 PolarHBondContact O-N 2.99Å; T67-Y70 PolarHBondContact O-N 3.14Å; T67-V71 WeakPolarHBondContact O-CG2 3.31Å; T67-V71 PolarHBondContact O-N 2.9Å; T67-V71 VanDerWaalsContact O-N 3.08Å; T67-Y132 HydrophobicContact CG2-CE1 4.23Å; T67-Y132 WeakPolarHBondContact CG2-OH 3.16Å; T67-L136 HydrophobicContact CG2-CD1 3.98Å
68L98.7Very high98Very high1 Ų124.1 Ų24.11%0.00511%0.111CC..Hα-helixtrans-58.3-45.2176-173.965.8000112.4I41 E44 A45 Y48 A64 D65 Y70 V71 T72I41-L68 HydrophobicContact CD1-CB 4.04Å; I41-L68 HydrophobicContact CD1-CD1 4.08Å; E44-L68 HydrophobicContact CB-CD1 4.29Å; A45-L68 HydrophobicContact CB-CD1 3.76Å; Y48-L68 HydrophobicContact CD2-CD2 4.39Å; A64-L68 PolarHBondContact O-N 2.86Å; D65-L68 PolarHBondContact O-N 2.82Å; L68-Y70 PolarHBondContact O-N 3.36Å; L68-V71 PolarHBondContact O-N 3.25Å; L68-T72 WeakPolarHBondContact O-CB 3.46Å; L68-T72 PolarHBondContact O-N 3.05Å; L68-T72 PolarHBondContact O-OG1 3.28Å
69I98.6Very high98.1Very high2 Ų223.2 Ų23.21%0.0111%0.108CC..Hα-helixtrans-60-45.8177.5-71.8161.6000110.4Y58 I60 D65 T67 T72 L73 L113 Y117 F168 M169Y58-I69 HydrophobicContact CD1-CD1 3.69Å; Y58-I69 HydrophobicContact CD1-CG1 4.12Å; Y58-I69 HydrophobicContact CE1-CD1 3.83Å; Y58-I69 HydrophobicContact CE1-CG1 4.07Å; Y58-I69 HydrophobicContact CG-CD1 4.43Å; I60-I69 HydrophobicContact CD1-CD1 4.25Å; I60-I69 HydrophobicContact CG1-CD1 3.89Å; D65-I69 WeakPolarHBondContact O-CB 3.42Å; D65-I69 WeakPolarHBondContact O-CD1 3.28Å; D65-I69 WeakPolarHBondContact O-CG1 3.05Å; D65-I69 PolarHBondContact O-N 3.42Å; T67-I69 PolarHBondContact O-N 2.99Å; I69-T72 PolarHBondContact O-N 3.39Å; I69-L73 HydrophobicContact CG2-CD1 4.23Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.43Å; I69-L113 HydrophobicContact CG2-CD1 3.62Å; I69-Y117 WeakPolarHBondContact CB-OH 3.37Å; I69-Y117 WeakPolarHBondContact CG2-OH 3.28Å; I69-F168 HydrophobicContact CB-CE1 4.17Å; I69-F168 HydrophobicContact CG1-CE1 3.91Å; I69-F168 HydrophobicContact CG1-CZ 4.23Å; I69-F168 HydrophobicContact CG2-CE1 3.97Å; I69-M169 HydrophobicContact CG2-SD 4.28Å
70Y98.6Very high98.1Very high2 Ų218.4 Ų18.41%0.0089%0.085CC..Hα-helixtrans-60.3-49.6179.3-179.7-92.6000111.5M19 R66 T67 L68 T72 L73 Y74 F111 L133 L136 R137 L173M19-Y70 HydrophobicContact CE-CG 4.31Å; R66-Y70 PolarHBondContact O-N 3.28Å; T67-Y70 PolarHBondContact O-N 3.14Å; L68-Y70 PolarHBondContact O-N 3.36Å; Y70-T72 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 3.39Å; Y70-L73 PolarHBondContact O-N 2.98Å; Y70-Y74 PolarHBondContact O-N 2.93Å; Y70-F111 HydrophobicContact CD2-CE2 4.37Å; Y70-F111 HydrophobicContact CE2-CE2 4.5Å; Y70-L133 HydrophobicContact CD1-CD2 3.73Å; Y70-L133 HydrophobicContact CD2-CD2 4.01Å; Y70-L133 HydrophobicContact CE1-CB 4.2Å; Y70-L133 HydrophobicContact CE1-CD2 3.63Å; Y70-L133 HydrophobicContact CE1-CG 4.42Å; Y70-L133 HydrophobicContact CE2-CD1 4.17Å; Y70-L133 HydrophobicContact CE2-CD2 3.91Å; Y70-L133 HydrophobicContact CE2-CG 4.49Å; Y70-L133 HydrophobicContact CG-CD2 3.92Å; Y70-L136 HydrophobicContact CD1-CD1 4.31Å; Y70-R137 HydrophobicContact CE1-CG 4.24Å; Y70-R137 PolarHBondContact OH-NH1 3.14Å; Y70-L173 HydrophobicContact CD2-CD2 4.41Å; Y70-L173 HydrophobicContact CE2-CD1 4.1Å; Y70-L173 HydrophobicContact CE2-CD2 4.15Å
71V98.7Very high98.1Very high1 Ų119.9 Ų19.91%0.0069%0.089CC..Hα-helixtrans-62.5-41178.8-178.50000110.6A45 T67 L68 L73 Y74 I75 L136 T140A45-V71 HydrophobicContact CB-CB 3.79Å; A45-V71 HydrophobicContact CB-CG1 3.36Å; T67-V71 WeakPolarHBondContact O-CG2 3.31Å; T67-V71 PolarHBondContact O-N 2.9Å; T67-V71 VanDerWaalsContact O-N 3.08Å; L68-V71 PolarHBondContact O-N 3.25Å; V71-L73 PolarHBondContact O-N 3.01Å; V71-Y74 PolarHBondContact O-N 2.97Å; V71-Y74 VanDerWaalsContact O-N 3.13Å; V71-I75 HydrophobicContact CG1-CD1 4.3Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CG1 3.42Å; V71-I75 PolarHBondContact O-N 2.87Å; V71-L136 HydrophobicContact CG2-CD1 4.25Å; V71-L136 HydrophobicContact CG2-CD2 4.26Å; V71-T140 HydrophobicContact CG1-CG2 4Å
72T98.6Very high98.2Very high0 Ų013.5 Ų13.50%06%0.062CC..Hα-helixtrans-59.8-44.5176.7-58.60000112.2F49 L68 I69 Y70 Y74 I75 F168F49-T72 HydrophobicContact CD2-CG2 4.17Å; L68-T72 WeakPolarHBondContact O-CB 3.46Å; L68-T72 PolarHBondContact O-N 3.05Å; L68-T72 PolarHBondContact O-OG1 3.28Å; I69-T72 PolarHBondContact O-N 3.39Å; Y70-T72 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 3.39Å; T72-Y74 VanDerWaalsContact C-N 3.33Å; T72-I75 PolarHBondContact O-N 2.96Å; T72-F168 HydrophobicContact CG2-CB 4.24Å; T72-F168 HydrophobicContact CG2-CD1 3.64Å; T72-F168 HydrophobicContact CG2-CE1 4.07Å; T72-F168 HydrophobicContact CG2-CG 3.92Å
73L98.1Very high98.1Very high3 Ų316.4 Ų16.42%0.0167%0.074CC..Hα-helixtrans-64.4-39.5174.9-69.3173.9000111.7I69 Y70 V71 S76 E77 L113 F168 K171 L173I69-L73 HydrophobicContact CG2-CD1 4.23Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.43Å; Y70-L73 PolarHBondContact O-N 2.98Å; V71-L73 PolarHBondContact O-N 3.01Å; L73-S76 WeakPolarHBondContact O-CB 3.39Å; L73-S76 PolarHBondContact O-N 3.46Å; L73-E77 PolarHBondContact O-N 2.95Å; L73-L113 HydrophobicContact CD1-CD1 3.72Å; L73-F168 HydrophobicContact CD2-CB 4.18Å; L73-F168 HydrophobicContact CD2-CD1 4.08Å; L73-F168 HydrophobicContact CG-CD1 4.29Å; L73-K171 HydrophobicContact CD2-CB 4.02Å; L73-L173 HydrophobicContact CB-CD1 3.98Å; L73-L173 HydrophobicContact CB-CD2 4.49Å; L73-L173 HydrophobicContact CB-CG 3.89Å; L73-L173 HydrophobicContact CD1-CD2 4.27Å; L73-L173 HydrophobicContact CD1-CG 4.46Å
74Y98.6Very high98Very high1 Ų121.1 Ų21.10%0.0049%0.094CC..Hα-helixtrans-67.8-36.3179.6-172.3-108.7000112.9Y70 V71 T72 S76 E77 C78 L98 G99 F103 R137 T140 L173Y70-Y74 PolarHBondContact O-N 2.93Å; V71-Y74 PolarHBondContact O-N 2.97Å; V71-Y74 VanDerWaalsContact O-N 3.13Å; T72-Y74 VanDerWaalsContact C-N 3.33Å; Y74-S76 PolarHBondContact O-N 3.4Å; Y74-E77 HydrophobicContact CD2-CB 4.37Å; Y74-E77 WeakPolarHBondContact O-CA 3.32Å; Y74-E77 WeakPolarHBondContact O-CB 3.37Å; Y74-E77 PolarHBondContact O-N 2.63Å; Y74-C78 WeakPolarHBondContact CE1-SG 3.31Å; Y74-C78 PolarHBondContact O-N 3.27Å; Y74-C78 PolarHBondContact O-SG 2.89Å; Y74-C78 VanDerWaalsContact O-SG 3.38Å; Y74-L98 HydrophobicContact CE2-CD2 3.99Å; Y74-L98 HydrophobicContact CE2-CG 3.98Å; Y74-L98 WeakPolarHBondContact OH-CG 3.42Å; Y74-L98 PolarHBondContact OH-O 2.91Å; Y74-G99 WeakPolarHBondContact OH-CA 3.35Å; Y74-G99 PolarHBondContact OH-N 3.25Å; Y74-F103 AromaticContact CE2-CE2 3.92Å; Y74-F103 HydrophobicContact CE2-CE2 3.92Å; Y74-F103 HydrophobicContact CE2-CZ 4.09Å; Y74-R137 HydrophobicContact CD1-CB 4.18Å; Y74-R137 HydrophobicContact CD1-CG 3.94Å; Y74-R137 HydrophobicContact CD2-CG 3.64Å; Y74-R137 HydrophobicContact CE1-CB 3.59Å; Y74-R137 HydrophobicContact CE1-CG 3.75Å; Y74-R137 WeakPolarHBondContact CE1-O 3.39Å; Y74-R137 HydrophobicContact CE2-CB 3.98Å; Y74-R137 HydrophobicContact CE2-CG 3.45Å; Y74-R137 VanDerWaalsContact CE2-CG 3.45Å; Y74-R137 HydrophobicContact CG-CG 3.88Å; Y74-R137 VanDerWaalsContact CZ-CB 3.45Å; Y74-R137 VanDerWaalsContact CZ-CG 3.49Å; Y74-T140 HydrophobicContact CD1-CG2 3.96Å; Y74-T140 HydrophobicContact CE1-CG2 4.5Å; Y74-L173 HydrophobicContact CD2-CD1 4.2Å
75I98.8Very high98Very high0 Ų021.5 Ų21.50%010%0.096CC..Hα-helixtrans-54.9-41.4172.2-68.5166000110.6A45 I46 F49 V71 T72 E77 C78 L79 T140 L144A45-I75 HydrophobicContact CB-CD1 4.09Å; I46-I75 HydrophobicContact CG1-CD1 3.95Å; F49-I75 HydrophobicContact CB-CD1 4.25Å; F49-I75 HydrophobicContact CD1-CG2 4.09Å; F49-I75 HydrophobicContact CD2-CB 3.8Å; F49-I75 HydrophobicContact CD2-CD1 4.1Å; F49-I75 HydrophobicContact CD2-CG2 3.46Å; F49-I75 VanDerWaalsContact CD2-CG2 3.46Å; F49-I75 HydrophobicContact CE1-CG2 4.06Å; F49-I75 HydrophobicContact CE2-CB 3.83Å; F49-I75 HydrophobicContact CE2-CG2 3.43Å; F49-I75 VanDerWaalsContact CE2-CG2 3.43Å; F49-I75 HydrophobicContact CG-CD1 4.39Å; F49-I75 HydrophobicContact CG-CG2 3.8Å; F49-I75 HydrophobicContact CZ-CG2 3.75Å; V71-I75 HydrophobicContact CG1-CD1 4.3Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CG1 3.42Å; V71-I75 PolarHBondContact O-N 2.87Å; T72-I75 PolarHBondContact O-N 2.96Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.08Å; I75-C78 WeakPolarHBondContact O-CB 3.29Å; I75-C78 PolarHBondContact O-N 2.96Å; I75-L79 HydrophobicContact CG2-CD1 4.35Å; I75-L79 HydrophobicContact CG2-CG 4.44Å; I75-L79 WeakPolarHBondContact O-CG 3.16Å; I75-L79 PolarHBondContact O-N 3.17Å; I75-T140 HydrophobicContact CG1-CG2 3.74Å; I75-L144 HydrophobicContact CG2-CD1 4.09Å; I75-L144 HydrophobicContact CG2-CD2 4.05Å
76S98Very high97.8Very high8 Ų825.7 Ų25.76%0.05613%0.125CC..Hα-helixtrans-62.2-38.8175.6-66.40000112.6L73 Y74 L79 K80L73-S76 WeakPolarHBondContact O-CB 3.39Å; L73-S76 PolarHBondContact O-N 3.46Å; Y74-S76 PolarHBondContact O-N 3.4Å; S76-L79 PolarHBondContact O-N 3.33Å; S76-K80 WeakPolarHBondContact O-CG 3.46Å; S76-K80 PolarHBondContact O-N 3.49Å
77E97.7Very high97.7Very high6 Ų625.2 Ų25.23%0.02813%0.128CC..Hα-helixtrans-65.3-40.7174.3-57.6-52.4145.500112L73 Y74 I75 L79 K80 K81 L98 F103 S172 L173 S174L73-E77 PolarHBondContact O-N 2.95Å; Y74-E77 HydrophobicContact CD2-CB 4.37Å; Y74-E77 WeakPolarHBondContact O-CA 3.32Å; Y74-E77 WeakPolarHBondContact O-CB 3.37Å; Y74-E77 PolarHBondContact O-N 2.63Å; I75-E77 VanDerWaalsContact C-N 3.33Å; I75-E77 PolarHBondContact O-N 3.08Å; E77-L79 PolarHBondContact O-N 3.13Å; E77-K80 PolarHBondContact O-N 3.23Å; E77-K80 IonicContact OE1-NZ 2.8Å; E77-K80 PolarHBondContact OE1-NZ 3.43Å; E77-K80 IonicContact OE2-NZ 3.9Å; E77-K80 PolarHBondContact OE2-NZ 2.96Å; E77-K81 PolarHBondContact O-N 2.84Å; E77-L98 HydrophobicContact CB-CD2 4.37Å; E77-F103 HydrophobicContact CG-CE1 4.39Å; E77-S172 PolarHBondContact OE1-OG 3.19Å; E77-S172 VanDerWaalsContact OE1-OG 3.06Å; E77-L173 HydrophobicContact CG-CB 3.93Å; E77-L173 HydrophobicContact CG-CD1 4.47Å; E77-L173 PolarHBondContact OE1-N 3.06Å; E77-L173 VanDerWaalsContact OE1-N 3.12Å; E77-S174 PolarHBondContact OE1-N 2.74Å; E77-S174 VanDerWaalsContact OE2-CB 3.27Å; E77-S174 WeakPolarHBondContact OE2-CB 3.34Å; E77-S174 PolarHBondContact OE2-OG 3.24Å
78C98.3Very high97.7Very high0 Ų029.9 Ų29.90%015%0.146CC..Hα-helixtrans-58.8-48174-64.10000111.2Y74 I75 K80 K81 L82 M95 L144Y74-C78 WeakPolarHBondContact CE1-SG 3.31Å; Y74-C78 PolarHBondContact O-N 3.27Å; Y74-C78 PolarHBondContact O-SG 2.89Å; Y74-C78 VanDerWaalsContact O-SG 3.38Å; I75-C78 WeakPolarHBondContact O-CB 3.29Å; I75-C78 PolarHBondContact O-N 2.96Å; C78-K80 VanDerWaalsContact C-N 3.3Å; C78-K80 PolarHBondContact O-N 2.94Å; C78-K81 PolarHBondContact O-N 3.42Å; C78-K81 VanDerWaalsContact O-N 3.07Å; C78-L82 WeakPolarHBondContact O-CB 3.38Å; C78-L82 VanDerWaalsContact O-CG 3.32Å; C78-L82 WeakPolarHBondContact O-CG 3.27Å; C78-L82 PolarHBondContact O-N 3.36Å; C78-M95 HydrophobicContact CB-CE 4.28Å; C78-M95 HydrophobicContact CB-SD 3.53Å; C78-M95 VanDerWaalsContact CB-SD 3.53Å; C78-L144 HydrophobicContact CB-CD2 3.33Å
79L98.2Very high97.6Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-60.7-36.8-179.7-67.8177.9000112.8F49 I75 S76 E77 K81 L82 Q83 L144 V148 W160 F163 V164F49-L79 HydrophobicContact CE1-CD1 3.6Å; F49-L79 HydrophobicContact CZ-CD1 3.58Å; I75-L79 HydrophobicContact CG2-CD1 4.35Å; I75-L79 HydrophobicContact CG2-CG 4.44Å; I75-L79 WeakPolarHBondContact O-CG 3.16Å; I75-L79 PolarHBondContact O-N 3.17Å; S76-L79 PolarHBondContact O-N 3.33Å; E77-L79 PolarHBondContact O-N 3.13Å; L79-K81 VanDerWaalsContact C-N 3.3Å; L79-K81 PolarHBondContact O-N 3.07Å; L79-L82 PolarHBondContact O-N 3.31Å; L79-Q83 WeakPolarHBondContact O-CB 3.38Å; L79-Q83 PolarHBondContact O-N 3.38Å; L79-L144 HydrophobicContact CD2-CD2 4.19Å; L79-L144 HydrophobicContact CG-CD2 4.39Å; L79-V148 HydrophobicContact CD2-CG2 3.75Å; L79-W160 HydrophobicContact CD1-CE3 4.48Å; L79-W160 HydrophobicContact CD2-CB 4.13Å; L79-W160 HydrophobicContact CD2-CE3 4.25Å; L79-F163 HydrophobicContact CD1-CB 4.12Å; L79-V164 HydrophobicContact CB-CG2 3.92Å
80K96.8Very high97.6Very high49 Ų4936 Ų3621%0.21318%0.181CC..Hα-helixtrans-59.7-39.5174.6-68.5172.2-166.2168.40112.1S76 E77 C78 V164 S172S76-K80 WeakPolarHBondContact O-CG 3.46Å; S76-K80 PolarHBondContact O-N 3.49Å; E77-K80 PolarHBondContact O-N 3.23Å; E77-K80 IonicContact OE1-NZ 2.8Å; E77-K80 PolarHBondContact OE1-NZ 3.43Å; E77-K80 IonicContact OE2-NZ 3.9Å; E77-K80 PolarHBondContact OE2-NZ 2.96Å; C78-K80 VanDerWaalsContact C-N 3.3Å; C78-K80 PolarHBondContact O-N 2.94Å; K80-V164 HydrophobicContact CG-CG1 4.1Å; K80-S172 PolarHBondContact NZ-OG 3.46Å; K80-S172 VanDerWaalsContact NZ-OG 3.08Å
81K97Very high97.5Very high73 Ų7335.9 Ų35.932%0.31718%0.181SC..Hα-helixtrans-75.9-46.6176.8-68.1-66.6-176.31790111.8E77 C78 L79 Q83 K84 M95 L98E77-K81 PolarHBondContact O-N 2.84Å; C78-K81 PolarHBondContact O-N 3.42Å; C78-K81 VanDerWaalsContact O-N 3.07Å; L79-K81 VanDerWaalsContact C-N 3.3Å; L79-K81 PolarHBondContact O-N 3.07Å; K81-Q83 PolarHBondContact O-N 3.48Å; K81-K84 PolarHBondContact O-N 3.07Å; K81-M95 HydrophobicContact CB-CE 3.63Å; K81-M95 HydrophobicContact CG-CE 4.41Å; K81-L98 HydrophobicContact CG-CD1 4.32Å; K81-L98 HydrophobicContact CG-CD2 4.16Å
82L97.7Very high97.5Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-61.9-28.4-179.1-68.6-179.1000112.9C78 L79 K84 C85 M95 L144 V148 F149 P156C78-L82 WeakPolarHBondContact O-CB 3.38Å; C78-L82 VanDerWaalsContact O-CG 3.32Å; C78-L82 WeakPolarHBondContact O-CG 3.27Å; C78-L82 PolarHBondContact O-N 3.36Å; L79-L82 PolarHBondContact O-N 3.31Å; L82-K84 PolarHBondContact O-N 3.34Å; L82-K84 VanDerWaalsContact O-N 3.15Å; L82-C85 WeakPolarHBondContact O-CB 3.35Å; L82-C85 PolarHBondContact O-N 3Å; L82-C85 VanDerWaalsContact O-N 3.09Å; L82-M95 HydrophobicContact CD1-SD 4.33Å; L82-M95 HydrophobicContact CD2-CE 3.88Å; L82-M95 HydrophobicContact CD2-CG 3.97Å; L82-M95 HydrophobicContact CD2-SD 4.18Å; L82-M95 HydrophobicContact CG-CE 3.9Å; L82-M95 HydrophobicContact CG-SD 4.11Å; L82-L144 HydrophobicContact CD1-CD2 4.03Å; L82-L144 HydrophobicContact CD1-CG 4.29Å; L82-V148 HydrophobicContact CB-CG1 4.37Å; L82-V148 HydrophobicContact CD1-CB 4.04Å; L82-V148 HydrophobicContact CD1-CG1 4.04Å; L82-V148 HydrophobicContact CD1-CG2 3.93Å; L82-F149 HydrophobicContact CD2-CE2 3.74Å; L82-F149 HydrophobicContact CD2-CZ 4.06Å; L82-P156 WeakPolarHBondContact O-CG 3.39Å
83Q96.8Very high97.5Very high99 Ų9945.6 Ų45.646%0.46322%0.224SC..THydrogen-bonded Turntrans-56.2-29.7174.4-174177.440.600113.4L79 K81 L161 V164L79-Q83 WeakPolarHBondContact O-CB 3.38Å; L79-Q83 PolarHBondContact O-N 3.38Å; K81-Q83 PolarHBondContact O-N 3.48Å; Q83-L161 HydrophobicContact CB-CD2 3.94Å; Q83-L161 HydrophobicContact CG-CD1 4.24Å; Q83-L161 HydrophobicContact CG-CD2 4.39Å; Q83-V164 HydrophobicContact CB-CG2 4.3Å
84K96Very high97.5Very high159 Ų15948.9 Ų48.969%0.69124%0.239SC*.THydrogen-bonded Turntrans-92.8-3.4-177.7-58.7-179.2-176.31760113.1K81 L82K81-K84 PolarHBondContact O-N 3.07Å; L82-K84 PolarHBondContact O-N 3.34Å; L82-K84 VanDerWaalsContact O-N 3.15Å
85C96.7Very high97.5Very high9 Ų948.9 Ų48.96%0.06124%0.239CC..  trans-85.5144.9-178.2-63.40000111.3L82 Q90 F149 P156L82-C85 WeakPolarHBondContact O-CB 3.35Å; L82-C85 PolarHBondContact O-N 3Å; L82-C85 VanDerWaalsContact O-N 3.09Å; C85-Q90 HydrophobicContact CB-CG 4.43Å; C85-F149 HydrophobicContact CB-CE1 4.31Å; C85-F149 HydrophobicContact CB-CZ 3.87Å; C85-P156 VanDerWaalsContact O-CG 3.3Å; C85-P156 WeakPolarHBondContact O-CG 3.32Å
86S94.9Very high97.4Very high87 Ų8755 Ų5561%0.60826%0.263SS*.SBendtrans-104.9-10.3178.160.50000114.4Q90S86-Q90 PolarHBondContact OG-OE1 3.22Å; S86-Q90 VanDerWaalsContact OG-OE1 3.12Å
87S97Very high97.4Very high29 Ų2958 Ų5820%0.20328%0.282CS..SBendtrans-147.6156.1179.453.90000111.8S89 Q90 G91 F149 D154S87-S89 VanDerWaalsContact C-N 3.28Å; S87-S89 PolarHBondContact O-N 3.31Å; S87-Q90 PolarHBondContact O-N 2.65Å; S87-Q90 WeakPolarHBondContact OG-CB 3.41Å; S87-Q90 PolarHBondContact OG-N 2.94Å; S87-G91 PolarHBondContact O-N 2.89Å; S87-F149 VanDerWaalsContact O-CE1 3.26Å; S87-F149 WeakPolarHBondContact O-CE1 3.47Å; S87-F149 WeakPolarHBondContact O-CZ 3.33Å; S87-D154 VanDerWaalsContact CA-O 3.31Å; S87-D154 WeakPolarHBondContact CA-O 3.41Å; S87-D154 WeakPolarHBondContact CA-OD2 3.32Å; S87-D154 WeakPolarHBondContact CB-OD2 3.41Å
88R97Very high97.4Very high99 Ų9958.3 Ų58.337%0.37428%0.283SS..Hα-helixtrans-59-40.7172.7-179.8172.5174.1-98.11.3111.4Q90 G91 E92 D146 F149 D154R88-Q90 VanDerWaalsContact C-N 3.32Å; R88-Q90 PolarHBondContact O-N 3.46Å; R88-G91 CarbonylContact O-C 3.58Å; R88-G91 WeakPolarHBondContact O-CA 3.43Å; R88-G91 PolarHBondContact O-N 2.9Å; R88-E92 IonicContact CZ-OE1 3.78Å; R88-E92 IonicContact NE-OE1 3.51Å; R88-E92 IonicContact NH1-OE1 2.86Å; R88-E92 PolarHBondContact NH1-OE1 2.89Å; R88-E92 IonicContact NH2-OE1 3.89Å; R88-E92 PolarHBondContact NH2-OE1 2.86Å; R88-E92 WeakPolarHBondContact O-CG 3.2Å; R88-E92 PolarHBondContact O-N 3.43Å; R88-D146 IonicContact CZ-OD1 3.44Å; R88-D146 IonicContact NE-OD1 3.73Å; R88-D146 PolarHBondContact NE-OD1 3.13Å; R88-D146 IonicContact NH2-OD1 2.8Å; R88-D146 PolarHBondContact NH2-OD1 2.86Å; R88-F149 HydrophobicContact CB-CB 3.99Å; R88-F149 HydrophobicContact CB-CD1 4.16Å; R88-F149 HydrophobicContact CB-CD2 4.06Å; R88-F149 HydrophobicContact CB-CG 3.81Å; R88-F149 HydrophobicContact CG-CB 4.35Å; R88-F149 HydrophobicContact CG-CD2 4.18Å; R88-F149 HydrophobicContact CG-CG 4.31Å; R88-D154 WeakPolarHBondContact CB-OD1 3.37Å; R88-D154 PolarHBondContact N-OD1 2.75Å; R88-D154 PolarHBondContact N-OD2 3.47Å
89S97.4Very high97.4Very high63 Ų6358.3 Ų58.344%0.44128%0.283SS..Hα-helixtrans-60.1-40.6177.5-1730000112.5S87 K93S87-S89 VanDerWaalsContact C-N 3.28Å; S87-S89 PolarHBondContact O-N 3.31Å; S89-K93 WeakPolarHBondContact O-CG 3.48Å; S89-K93 PolarHBondContact O-N 3.46Å
90Q97.8Very high97.3Very high68 Ų6862 Ų6232%0.31830%0.302SS..Hα-helixtrans-66.7-42.5172.6-173.5-176.313.500111.1C85 S86 S87 R88 E92 K93 E94C85-Q90 HydrophobicContact CB-CG 4.43Å; S86-Q90 PolarHBondContact OG-OE1 3.22Å; S86-Q90 VanDerWaalsContact OG-OE1 3.12Å; S87-Q90 PolarHBondContact O-N 2.65Å; S87-Q90 WeakPolarHBondContact OG-CB 3.41Å; S87-Q90 PolarHBondContact OG-N 2.94Å; R88-Q90 VanDerWaalsContact C-N 3.32Å; R88-Q90 PolarHBondContact O-N 3.46Å; Q90-E92 PolarHBondContact O-N 3.02Å; Q90-K93 PolarHBondContact O-N 3.39Å; Q90-E94 HydrophobicContact CG-CG 4.49Å; Q90-E94 WeakPolarHBondContact O-CG 3.32Å; Q90-E94 PolarHBondContact O-N 3.27Å
91G98.1Very high97.2Very high0 Ų062.6 Ų62.60%031%0.31CS..Hα-helixtrans-54.5-48.3175.500000112.7S87 R88 K93 E94 M95S87-G91 PolarHBondContact O-N 2.89Å; R88-G91 CarbonylContact O-C 3.58Å; R88-G91 WeakPolarHBondContact O-CA 3.43Å; R88-G91 PolarHBondContact O-N 2.9Å; G91-K93 VanDerWaalsContact C-N 3.34Å; G91-K93 PolarHBondContact O-N 2.82Å; G91-E94 PolarHBondContact O-N 2.98Å; G91-M95 WeakPolarHBondContact O-CB 3.39Å; G91-M95 VanDerWaalsContact O-CG 3.24Å; G91-M95 WeakPolarHBondContact O-CG 3.33Å; G91-M95 PolarHBondContact O-N 3.09Å
92E98Very high97Very high63 Ų6365.3 Ų65.329%0.29433%0.328SS..Hα-helixtrans-59.1-41.5177.6-72.2172.6-176.100112.5R88 Q90 M95 Y96 C145R88-E92 IonicContact CZ-OE1 3.78Å; R88-E92 IonicContact NE-OE1 3.51Å; R88-E92 IonicContact NH1-OE1 2.86Å; R88-E92 PolarHBondContact NH1-OE1 2.89Å; R88-E92 IonicContact NH2-OE1 3.89Å; R88-E92 PolarHBondContact NH2-OE1 2.86Å; R88-E92 WeakPolarHBondContact O-CG 3.2Å; R88-E92 PolarHBondContact O-N 3.43Å; Q90-E92 PolarHBondContact O-N 3.02Å; E92-M95 PolarHBondContact O-N 2.94Å; E92-Y96 WeakPolarHBondContact O-CB 3.17Å; E92-Y96 PolarHBondContact O-N 2.86Å; E92-C145 HydrophobicContact CG-CB 4.27Å
93K98.1Very high96.9Very high142 Ų14265.8 Ų65.862%0.61733%0.33SS*.Hα-helixtrans-65-43.8176.4-68.8174.3-177.1177.40112.2S89 Q90 G91 T97S89-K93 WeakPolarHBondContact O-CG 3.48Å; S89-K93 PolarHBondContact O-N 3.46Å; Q90-K93 PolarHBondContact O-N 3.39Å; G91-K93 VanDerWaalsContact C-N 3.34Å; G91-K93 PolarHBondContact O-N 2.82Å; K93-T97 WeakPolarHBondContact O-CB 3.24Å; K93-T97 PolarHBondContact O-N 3.3Å; K93-T97 VanDerWaalsContact O-N 3.07Å; K93-T97 PolarHBondContact O-OG1 2.84Å
94E98.1Very high96.8Very high71 Ų7162.4 Ų62.433%0.33232%0.317SS..Hα-helixtrans-65.3-40175.9-71.1-68160.500111.3Q90 G91 T97 L98Q90-E94 HydrophobicContact CG-CG 4.49Å; Q90-E94 WeakPolarHBondContact O-CG 3.32Å; Q90-E94 PolarHBondContact O-N 3.27Å; G91-E94 PolarHBondContact O-N 2.98Å; E94-T97 PolarHBondContact O-N 3.07Å; E94-L98 WeakPolarHBondContact O-CB 3.5Å; E94-L98 PolarHBondContact O-N 3.06Å
95M98.4Very high96.9Very high2 Ų255 Ų551%0.0129%0.285CS..Hα-helixtrans-68.3-38.8178.1-71-54.593.800112.2C78 K81 L82 G91 E92 T97 L98 G99 G141C78-M95 HydrophobicContact CB-CE 4.28Å; C78-M95 HydrophobicContact CB-SD 3.53Å; C78-M95 VanDerWaalsContact CB-SD 3.53Å; K81-M95 HydrophobicContact CB-CE 3.63Å; K81-M95 HydrophobicContact CG-CE 4.41Å; L82-M95 HydrophobicContact CD1-SD 4.33Å; L82-M95 HydrophobicContact CD2-CE 3.88Å; L82-M95 HydrophobicContact CD2-CG 3.97Å; L82-M95 HydrophobicContact CD2-SD 4.18Å; L82-M95 HydrophobicContact CG-CE 3.9Å; L82-M95 HydrophobicContact CG-SD 4.11Å; G91-M95 WeakPolarHBondContact O-CB 3.39Å; G91-M95 VanDerWaalsContact O-CG 3.24Å; G91-M95 WeakPolarHBondContact O-CG 3.33Å; G91-M95 PolarHBondContact O-N 3.09Å; E92-M95 PolarHBondContact O-N 2.94Å; M95-T97 VanDerWaalsContact C-N 3.35Å; M95-L98 HydrophobicContact CE-CD2 3.98Å; M95-L98 PolarHBondContact O-N 3.49Å; M95-L98 HydrophobicContact SD-CD2 4.41Å; M95-G99 PolarHBondContact O-N 3.35Å; M95-G141 WeakPolarHBondContact CG-O 3.33Å
96Y97.8Very high96.9Very high128 Ų12854.7 Ų54.750%0.50228%0.283SS..Hα-helixtrans-58.4-48.3170.7178.1-96.8000111.3E92 G99 I100E92-Y96 WeakPolarHBondContact O-CB 3.17Å; E92-Y96 PolarHBondContact O-N 2.86Å; Y96-G99 PolarHBondContact O-N 3.03Å; Y96-I100 HydrophobicContact CE1-CD1 4.04Å; Y96-I100 PolarHBondContact O-N 3.24Å
97T97.9Very high96.9Very high72 Ų7252.8 Ų52.844%0.44228%0.277SS..Hα-helixtrans-63.6-43.8-179.6-56.10000111.4K93 E94 M95 G99 I100 T101K93-T97 WeakPolarHBondContact O-CB 3.24Å; K93-T97 PolarHBondContact O-N 3.3Å; K93-T97 VanDerWaalsContact O-N 3.07Å; K93-T97 PolarHBondContact O-OG1 2.84Å; E94-T97 PolarHBondContact O-N 3.07Å; M95-T97 VanDerWaalsContact C-N 3.35Å; T97-G99 VanDerWaalsContact C-N 3.3Å; T97-G99 PolarHBondContact O-N 3.1Å; T97-I100 VanDerWaalsContact O-CG1 3.28Å; T97-I100 WeakPolarHBondContact O-CG1 3.42Å; T97-I100 PolarHBondContact O-N 3.06Å; T97-T101 PolarHBondContact O-N 3.41Å; T97-T101 VanDerWaalsContact O-N 3.1Å; T97-T101 PolarHBondContact O-OG1 2.87Å
98L97.7Very high96.9Very high12 Ų1254 Ų546%0.06328%0.279CS..Hα-helixtrans-64.1-36.7175.2-170.467.4000111.5Y74 E77 K81 E94 M95 I100 T101 F103Y74-L98 HydrophobicContact CE2-CD2 3.99Å; Y74-L98 HydrophobicContact CE2-CG 3.98Å; Y74-L98 WeakPolarHBondContact OH-CG 3.42Å; Y74-L98 PolarHBondContact OH-O 2.91Å; E77-L98 HydrophobicContact CB-CD2 4.37Å; K81-L98 HydrophobicContact CG-CD1 4.32Å; K81-L98 HydrophobicContact CG-CD2 4.16Å; E94-L98 WeakPolarHBondContact O-CB 3.5Å; E94-L98 PolarHBondContact O-N 3.06Å; M95-L98 HydrophobicContact CE-CD2 3.98Å; M95-L98 PolarHBondContact O-N 3.49Å; M95-L98 HydrophobicContact SD-CD2 4.41Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 2.83Å; L98-T101 WeakPolarHBondContact O-CB 3.35Å; L98-T101 PolarHBondContact O-N 3.4Å; L98-F103 HydrophobicContact CD1-CE2 4.04Å; L98-F103 HydrophobicContact CD1-CZ 3.81Å; L98-F103 HydrophobicContact CG-CE2 4.35Å; L98-F103 HydrophobicContact CG-CZ 4.4Å
99G97.1Very high96.7Very high0 Ų055.3 Ų55.30%030%0.301CS..Hα-helixtrans-61.6-41.1179.300000113.2Y74 M95 Y96 T97 R137Y74-G99 WeakPolarHBondContact OH-CA 3.35Å; Y74-G99 PolarHBondContact OH-N 3.25Å; M95-G99 PolarHBondContact O-N 3.35Å; Y96-G99 PolarHBondContact O-N 3.03Å; T97-G99 VanDerWaalsContact C-N 3.3Å; T97-G99 PolarHBondContact O-N 3.1Å; G99-R137 PolarHBondContact O-NE 3.29Å; G99-R137 PolarHBondContact O-NH2 3.48Å
100I96.2Very high96.5Very high76 Ų7655.1 Ų55.139%0.3931%0.308SS..Hα-helixtrans-86.6-11.7179.667.3173.6000114Y96 T97 L98Y96-I100 HydrophobicContact CE1-CD1 4.04Å; Y96-I100 PolarHBondContact O-N 3.24Å; T97-I100 VanDerWaalsContact O-CG1 3.28Å; T97-I100 WeakPolarHBondContact O-CG1 3.42Å; T97-I100 PolarHBondContact O-N 3.06Å; L98-I100 VanDerWaalsContact C-N 3.35Å; L98-I100 PolarHBondContact O-N 2.83Å
101T95.6Very high96.4Very high63 Ų6352.2 Ų52.239%0.38730%0.295SS..SBendtrans-58.9140175.9-64.50000110.1T97 L98 F103 R137T97-T101 PolarHBondContact O-N 3.41Å; T97-T101 VanDerWaalsContact O-N 3.1Å; T97-T101 PolarHBondContact O-OG1 2.87Å; L98-T101 WeakPolarHBondContact O-CB 3.35Å; L98-T101 PolarHBondContact O-N 3.4Å; T101-F103 HydrophobicContact CG2-CE2 4.33Å; T101-F103 WeakPolarHBondContact O-CD2 3.45Å; T101-F103 PolarHBondContact O-N 3.3Å; T101-F103 VanDerWaalsContact O-N 3.13Å; T101-R137 PolarHBondContact O-NH2 3Å
102N92.4Very high96.2Very high129 Ų12953.5 Ų53.569%0.6930%0.303SS*.  trans-75.6102.7179.7-168.329.3000110.2
103F95.2Very high96Very high11 Ų1150.8 Ų50.85%0.04829%0.29CS..  trans-90.7145.3170.7-80.2-89.6000110.3Y74 E77 L98 T101 L173Y74-F103 AromaticContact CE2-CE2 3.92Å; Y74-F103 HydrophobicContact CE2-CE2 3.92Å; Y74-F103 HydrophobicContact CE2-CZ 4.09Å; E77-F103 HydrophobicContact CG-CE1 4.39Å; L98-F103 HydrophobicContact CD1-CE2 4.04Å; L98-F103 HydrophobicContact CD1-CZ 3.81Å; L98-F103 HydrophobicContact CG-CE2 4.35Å; L98-F103 HydrophobicContact CG-CZ 4.4Å; T101-F103 HydrophobicContact CG2-CE2 4.33Å; T101-F103 WeakPolarHBondContact O-CD2 3.45Å; T101-F103 PolarHBondContact O-N 3.3Å; T101-F103 VanDerWaalsContact O-N 3.13Å; F103-L173 HydrophobicContact CD1-CB 3.85Å; F103-L173 HydrophobicContact CE1-CB 3.85Å
104P96Very high95.9Very high28 Ų2847.1 Ų47.118%0.18228%0.278CS..  trans-62.8143.4174.228.5-34.5000110.4E108 F111P104-E108 VanDerWaalsContact CA-OE2 3.25Å; P104-E108 WeakPolarHBondContact CA-OE2 3.15Å; P104-E108 HydrophobicContact CB-CB 4.2Å; P104-F111 HydrophobicContact CB-CB 4.21Å; P104-F111 HydrophobicContact CG-CB 4.49Å; P104-F111 WeakPolarHBondContact O-CD2 3.33Å
105I96.6Very high95.8Very high4 Ų448.9 Ų48.92%0.02130%0.304CS..  trans-106.3166.3175.969.1165.1000111G107 E108 F111 P120 D126 M129 R130 L133I105-G107 PolarHBondContact O-N 3.47Å; I105-E108 HydrophobicContact CG1-CG 4.02Å; I105-E108 PolarHBondContact N-OE2 2.89Å; I105-E108 WeakPolarHBondContact O-CB 3.34Å; I105-E108 PolarHBondContact O-N 3.1Å; I105-F111 WeakPolarHBondContact O-CB 3.49Å; I105-P120 HydrophobicContact CD1-CG 4.06Å; I105-D126 WeakPolarHBondContact CD1-OD1 3.4Å; I105-M129 HydrophobicContact CB-SD 4.31Å; I105-M129 HydrophobicContact CD1-SD 4.16Å; I105-R130 HydrophobicContact CD1-CG 4.09Å; I105-R130 HydrophobicContact CG2-CG 4.14Å; I105-L133 HydrophobicContact CB-CD1 4.34Å; I105-L133 HydrophobicContact CG2-CD1 3.79Å
106P97.6Very high95.7Very high2 Ų252.6 Ų52.61%0.01332%0.323CS..THydrogen-bonded Turntrans-46.4127.1173.4-32.136.7000113.8F111 Y117 A118 K119 P120 M129P106-F111 HydrophobicContact CB-CD1 4.44Å; P106-F111 HydrophobicContact CB-CE1 4.37Å; P106-F111 HydrophobicContact CG-CD1 4.24Å; P106-F111 HydrophobicContact CG-CE1 3.83Å; P106-F111 HydrophobicContact CG-CE2 4.3Å; P106-F111 HydrophobicContact CG-CZ 3.86Å; P106-Y117 HydrophobicContact CG-CD1 3.91Å; P106-Y117 HydrophobicContact CG-CG 4.09Å; P106-A118 WeakPolarHBondContact CB-O 3.46Å; P106-K119 WeakPolarHBondContact O-CA 3.42Å; P106-K119 WeakPolarHBondContact O-CB 3.44Å; P106-P120 VanDerWaalsContact O-CD 3.31Å; P106-P120 WeakPolarHBondContact O-CD 3.4Å; P106-M129 HydrophobicContact CB-SD 4.38Å; P106-M129 HydrophobicContact CG-SD 4.02Å
107G95.8Very high95.7Very high47 Ų4747 Ų4749%0.48530%0.301SS..THydrogen-bonded Turntrans98.5-20.3-175.600000114.4I105 N114I105-G107 PolarHBondContact O-N 3.47Å; G107-N114 PolarHBondContact N-OD1 3.43Å
108E95.6Very high95.7Very high53 Ų5345.5 Ų45.525%0.24830%0.295CS..SBendtrans-85.3149.4179.5-65.6-177.4152.300112.3P104 I105 G110 F111 N114 R130P104-E108 VanDerWaalsContact CA-OE2 3.25Å; P104-E108 WeakPolarHBondContact CA-OE2 3.15Å; P104-E108 HydrophobicContact CB-CB 4.2Å; I105-E108 HydrophobicContact CG1-CG 4.02Å; I105-E108 PolarHBondContact N-OE2 2.89Å; I105-E108 WeakPolarHBondContact O-CB 3.34Å; I105-E108 PolarHBondContact O-N 3.1Å; E108-G110 PolarHBondContact O-N 3.3Å; E108-F111 PolarHBondContact O-N 3.19Å; E108-N114 PolarHBondContact O-ND2 3.31Å; E108-R130 IonicContact OE1-CZ 3.02Å; E108-R130 IonicContact OE1-NH1 3.39Å; E108-R130 PolarHBondContact OE1-NH1 2.83Å; E108-R130 IonicContact OE1-NH2 3.58Å; E108-R130 PolarHBondContact OE1-NH2 3.48Å; E108-R130 IonicContact OE2-NH1 2.68Å
109P93.8Very high95.7Very high128 Ų12852 Ų5283%0.83132%0.323SS*.THydrogen-bonded Turntrans-56.4130.5166.2-21.132.7000110.3
110G92.3Very high95.7Very high58 Ų5853 Ų5360%0.59833%0.33SS*.THydrogen-bonded Turntrans100.4-16.8179.700000114.9E108 P112E108-G110 PolarHBondContact O-N 3.3Å; G110-P112 WeakPolarHBondContact O-CD 3.4Å
111F95.9Very high95.7Very high8 Ų852.5 Ų52.54%0.03534%0.343CS..  trans-71.8118.9171.1-174.4-101.7000110.3Y70 P104 I105 P106 E108 L113 N114 Y117 L173Y70-F111 HydrophobicContact CD2-CE2 4.37Å; Y70-F111 HydrophobicContact CE2-CE2 4.5Å; P104-F111 HydrophobicContact CB-CB 4.21Å; P104-F111 HydrophobicContact CG-CB 4.49Å; P104-F111 WeakPolarHBondContact O-CD2 3.33Å; I105-F111 WeakPolarHBondContact O-CB 3.49Å; P106-F111 HydrophobicContact CB-CD1 4.44Å; P106-F111 HydrophobicContact CB-CE1 4.37Å; P106-F111 HydrophobicContact CG-CD1 4.24Å; P106-F111 HydrophobicContact CG-CE1 3.83Å; P106-F111 HydrophobicContact CG-CE2 4.3Å; P106-F111 HydrophobicContact CG-CZ 3.86Å; E108-F111 PolarHBondContact O-N 3.19Å; F111-L113 HydrophobicContact CD1-CB 4.31Å; F111-L113 HydrophobicContact CE1-CB 3.64Å; F111-L113 HydrophobicContact CZ-CB 4.17Å; F111-L113 PolarHBondContact O-N 2.95Å; F111-L113 VanDerWaalsContact O-N 3.13Å; F111-N114 WeakPolarHBondContact CD1-OD1 3.4Å; F111-N114 PolarHBondContact O-ND2 3.22Å; F111-Y117 HydrophobicContact CE1-CD1 4.25Å; F111-Y117 AromaticContact CE1-CD2 3.77Å; F111-Y117 HydrophobicContact CE1-CD2 3.77Å; F111-Y117 HydrophobicContact CE1-CE2 4.42Å; F111-Y117 AromaticContact CE1-CG 3.67Å; F111-Y117 HydrophobicContact CE1-CG 3.67Å; F111-Y117 AromaticContact CZ-CD1 3.99Å; F111-Y117 HydrophobicContact CZ-CD1 3.99Å; F111-Y117 HydrophobicContact CZ-CD2 4.03Å; F111-Y117 HydrophobicContact CZ-CE1 4.25Å; F111-Y117 HydrophobicContact CZ-CE2 4.31Å; F111-Y117 AromaticContact CZ-CG 3.88Å; F111-Y117 HydrophobicContact CZ-CG 3.88Å; F111-L173 HydrophobicContact CE2-CD2 4.3Å
112P93.9Very high95.8Very high27 Ų2754 Ų5418%0.17535%0.349CS..THydrogen-bonded Turntrans-72.9-11-164.729-38.5000115.1G110 K171 S172 L173G110-P112 WeakPolarHBondContact O-CD 3.4Å; P112-K171 HydrophobicContact CB-CB 4.06Å; P112-K171 HydrophobicContact CB-CD 4.08Å; P112-K171 HydrophobicContact CB-CG 4.34Å; P112-K171 HydrophobicContact CG-CB 4.45Å; P112-K171 WeakPolarHBondContact O-CE 3.31Å; P112-K171 PolarHBondContact O-NZ 2.72Å; P112-S172 WeakPolarHBondContact CB-O 3.42Å; P112-S172 WeakPolarHBondContact CG-O 3.19Å; P112-L173 HydrophobicContact CG-CD2 4.13Å
113L94.5Very high96Very high5 Ų555.7 Ų55.73%0.02635%0.35CS..THydrogen-bonded Turntrans-126.627.9-169.2-67.1175.1000113I69 L73 F111 A115 M116 Y117 M169 K171I69-L113 HydrophobicContact CG2-CD1 3.62Å; L73-L113 HydrophobicContact CD1-CD1 3.72Å; F111-L113 HydrophobicContact CD1-CB 4.31Å; F111-L113 HydrophobicContact CE1-CB 3.64Å; F111-L113 HydrophobicContact CZ-CB 4.17Å; F111-L113 PolarHBondContact O-N 2.95Å; F111-L113 VanDerWaalsContact O-N 3.13Å; L113-A115 PolarHBondContact O-N 3.42Å; L113-M116 HydrophobicContact CD2-SD 3.95Å; L113-M116 PolarHBondContact O-N 2.89Å; L113-Y117 HydrophobicContact CB-CD2 3.67Å; L113-Y117 HydrophobicContact CB-CE2 3.75Å; L113-Y117 HydrophobicContact CD1-CE2 3.77Å; L113-Y117 HydrophobicContact CG-CE2 4.4Å; L113-Y117 WeakPolarHBondContact O-CD2 3.32Å; L113-Y117 PolarHBondContact O-N 3.49Å; L113-M169 HydrophobicContact CD2-CE 4.2Å; L113-K171 HydrophobicContact CD2-CD 4.39Å; L113-K171 HydrophobicContact CD2-CG 3.83Å; L113-K171 HydrophobicContact CG-CG 4.33Å
114N95.5Very high96.1Very high66 Ų6661.1 Ų61.135%0.35338%0.376SS..THydrogen-bonded Turntrans-53.6-28.4-179.6-83-29.1000114.5G107 E108 F111 M116G107-N114 PolarHBondContact N-OD1 3.43Å; E108-N114 PolarHBondContact O-ND2 3.31Å; F111-N114 WeakPolarHBondContact CD1-OD1 3.4Å; F111-N114 PolarHBondContact O-ND2 3.22Å; N114-M116 VanDerWaalsContact C-N 3.27Å; N114-M116 PolarHBondContact O-N 3.28Å
115A95.6Very high96.2Very high108 Ų10862.1 Ų62.189%0.89338%0.378SS*.THydrogen-bonded Turntrans-72.4-16.8177.100000114.1L113L113-A115 PolarHBondContact O-N 3.42Å
116M96.1Very high96.2Very high80 Ų8063.9 Ų63.939%0.39439%0.388SS..THydrogen-bonded Turntrans-113.3-13.7-174.6-61.8176-17800112.9N18 I60 R66 L113 N114 M169N18-M116 PolarHBondContact ND2-O 3.44Å; I60-M116 HydrophobicContact CD1-CB 3.96Å; I60-M116 HydrophobicContact CD1-CG 4.36Å; I60-M116 HydrophobicContact CD1-SD 4.21Å; R66-M116 PolarHBondContact NE-O 2.57Å; L113-M116 HydrophobicContact CD2-SD 3.95Å; L113-M116 PolarHBondContact O-N 2.89Å; N114-M116 VanDerWaalsContact C-N 3.27Å; N114-M116 PolarHBondContact O-N 3.28Å; M116-M169 HydrophobicContact CE-CE 4.04Å; M116-M169 HydrophobicContact SD-CE 3.85Å
117Y97.9Very high96.2Very high10 Ų1068.2 Ų68.24%0.03941%0.408CS..SBendtrans-116.6137.9-177-73.5-111.2000110.7N18 M19 R66 I69 P106 F111 L113N18-Y117 WeakPolarHBondContact OD1-CA 3.41Å; M19-Y117 HydrophobicContact CE-CE1 4.02Å; M19-Y117 HydrophobicContact CG-CD1 3.73Å; M19-Y117 HydrophobicContact CG-CE1 3.71Å; M19-Y117 HydrophobicContact SD-CD1 3.74Å; M19-Y117 HydrophobicContact SD-CE1 3.63Å; R66-Y117 WeakPolarHBondContact CA-OH 3.33Å; R66-Y117 HydrophobicContact CB-CD1 4.49Å; R66-Y117 HydrophobicContact CB-CE1 3.75Å; R66-Y117 HydrophobicContact CG-CE1 4.43Å; R66-Y117 PolarHBondContact O-OH 3.43Å; I69-Y117 WeakPolarHBondContact CB-OH 3.37Å; I69-Y117 WeakPolarHBondContact CG2-OH 3.28Å; P106-Y117 HydrophobicContact CG-CD1 3.91Å; P106-Y117 HydrophobicContact CG-CG 4.09Å; F111-Y117 HydrophobicContact CE1-CD1 4.25Å; F111-Y117 AromaticContact CE1-CD2 3.77Å; F111-Y117 HydrophobicContact CE1-CD2 3.77Å; F111-Y117 HydrophobicContact CE1-CE2 4.42Å; F111-Y117 AromaticContact CE1-CG 3.67Å; F111-Y117 HydrophobicContact CE1-CG 3.67Å; F111-Y117 AromaticContact CZ-CD1 3.99Å; F111-Y117 HydrophobicContact CZ-CD1 3.99Å; F111-Y117 HydrophobicContact CZ-CD2 4.03Å; F111-Y117 HydrophobicContact CZ-CE1 4.25Å; F111-Y117 HydrophobicContact CZ-CE2 4.31Å; F111-Y117 AromaticContact CZ-CG 3.88Å; F111-Y117 HydrophobicContact CZ-CG 3.88Å; L113-Y117 HydrophobicContact CB-CD2 3.67Å; L113-Y117 HydrophobicContact CB-CE2 3.75Å; L113-Y117 HydrophobicContact CD1-CE2 3.77Å; L113-Y117 HydrophobicContact CG-CE2 4.4Å; L113-Y117 WeakPolarHBondContact O-CD2 3.32Å; L113-Y117 PolarHBondContact O-N 3.49Å
118A97.9Very high96.3Very high40 Ų4067.8 Ų67.833%0.33140%0.396SS..PPolyproline II helixtrans-80131.1174.700000109.8N18 P106N18-A118 HydrophobicContact CB-CB 3.95Å; N18-A118 VanDerWaalsContact CG-N 3.27Å; N18-A118 PolarHBondContact ND2-N 3.37Å; N18-A118 PolarHBondContact OD1-N 2.82Å; P106-A118 WeakPolarHBondContact CB-O 3.46Å
119K97.3Very high96.5Very high149 Ų14965.3 Ų65.365%0.64838%0.384SS*.PPolyproline II helixtrans-63.1150.8168.272.6179-176.5177.50110.1P106 G121P106-K119 WeakPolarHBondContact O-CA 3.42Å; P106-K119 WeakPolarHBondContact O-CB 3.44Å; K119-G121 PolarHBondContact O-N 3.08Å
120P97.4Very high96.7Very high21 Ų2162.4 Ų62.414%0.13636%0.357CS..PPolyproline II helixtrans-58.7135.2172.525.3-33.1000110.5I105 P106 E125 D126 M129I105-P120 HydrophobicContact CD1-CG 4.06Å; P106-P120 VanDerWaalsContact O-CD 3.31Å; P106-P120 WeakPolarHBondContact O-CD 3.4Å; P120-E125 HydrophobicContact CB-CB 4.16Å; P120-E125 HydrophobicContact CB-CG 4.08Å; P120-D126 HydrophobicContact CB-CB 3.9Å; P120-D126 HydrophobicContact CG-CB 3.81Å; P120-M129 HydrophobicContact CB-CE 4.45Å
121G96.3Very high96.9Very high66 Ų6661.2 Ų61.268%0.6834%0.341SS*.SBendtrans-82.3-20.4-175.900000114K119 E125K119-G121 PolarHBondContact O-N 3.08Å; G121-E125 PolarHBondContact N-OE2 3.11Å
122N97.3Very high97.1Very high95 Ų9560.9 Ų60.951%0.50834%0.339SS..SBendtrans-150.7171.5177.762.563.5000111.4Q124 E125 D126N122-Q124 VanDerWaalsContact C-N 3.33Å; N122-Q124 PolarHBondContact O-N 2.88Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.47Å; N122-Q124 PolarHBondContact OD1-N 3.2Å; N122-E125 PolarHBondContact O-N 3.41Å; N122-E125 PolarHBondContact OD1-N 3.17Å; N122-D126 PolarHBondContact O-N 3.09Å
123K96.9Very high97.3Very high163 Ų16359.6 Ų59.671%0.70933%0.331SS*.Hα-helixtrans-60.4-38.4-177.9-173178.5177.2-173.70113.2D126 E127K123-D126 PolarHBondContact O-N 2.8Å; K123-E127 WeakPolarHBondContact CE-OE1 3.47Å; K123-E127 WeakPolarHBondContact O-CG 3.41Å; K123-E127 PolarHBondContact O-N 2.97Å
124Q97.4Very high97.5Very high125 Ų12562.7 Ų62.758%0.58435%0.345SS*.Hα-helixtrans-66.3-39.8179.3-177.461.46200111.6N122 T128N122-Q124 VanDerWaalsContact C-N 3.33Å; N122-Q124 PolarHBondContact O-N 2.88Å; N122-Q124 WeakPolarHBondContact OD1-CB 3.47Å; N122-Q124 PolarHBondContact OD1-N 3.2Å; Q124-T128 WeakPolarHBondContact O-CB 3.24Å; Q124-T128 PolarHBondContact O-N 3.18Å; Q124-T128 PolarHBondContact O-OG1 2.96Å
125E97.6Very high97.6Very high50 Ų5059.8 Ų59.823%0.23433%0.33CS..Hα-helixtrans-69.2-37.7175.8-170.2173.1-143.600111.8V16 G17 P120 G121 N122 T128 M129V16-E125 HydrophobicContact CG2-CG 4.06Å; G17-E125 WeakPolarHBondContact CA-OE1 3.01Å; G17-E125 PolarHBondContact N-OE1 3.39Å; P120-E125 HydrophobicContact CB-CB 4.16Å; P120-E125 HydrophobicContact CB-CG 4.08Å; G121-E125 PolarHBondContact N-OE2 3.11Å; N122-E125 PolarHBondContact O-N 3.41Å; N122-E125 PolarHBondContact OD1-N 3.17Å; E125-T128 PolarHBondContact O-N 2.76Å; E125-M129 VanDerWaalsContact O-CB 3.31Å; E125-M129 WeakPolarHBondContact O-CB 3.46Å; E125-M129 PolarHBondContact O-N 2.98Å
126D98.1Very high97.7Very high41 Ų4154.7 Ų54.722%0.21929%0.288CS..Hα-helixtrans-58.4-50.9173.3179.697.6000111.2I105 P120 N122 K123 T128 M129 R130I105-D126 WeakPolarHBondContact CD1-OD1 3.4Å; P120-D126 HydrophobicContact CB-CB 3.9Å; P120-D126 HydrophobicContact CG-CB 3.81Å; N122-D126 PolarHBondContact O-N 3.09Å; K123-D126 PolarHBondContact O-N 2.8Å; D126-T128 VanDerWaalsContact C-N 3.31Å; D126-T128 PolarHBondContact O-N 3.33Å; D126-M129 PolarHBondContact O-N 2.63Å; D126-R130 WeakPolarHBondContact O-CG 3.27Å; D126-R130 PolarHBondContact O-N 3.42Å; D126-R130 IonicContact OD1-CZ 3.16Å; D126-R130 IonicContact OD1-NE 3.75Å; D126-R130 IonicContact OD1-NH2 3.55Å; D126-R130 PolarHBondContact OD1-NH2 2.93Å; D126-R130 IonicContact OD2-CZ 2.73Å; D126-R130 IonicContact OD2-NE 3.76Å; D126-R130 PolarHBondContact OD2-NE 3.46Å; D126-R130 IonicContact OD2-NH2 2.95Å
127E97.8Very high97.8Very high93 Ų9351.6 Ų51.644%0.43527%0.271SS..Hα-helixtrans-60.1-42.3177.5-71.3174.1-169.400111.6K123 A131K123-E127 WeakPolarHBondContact CE-OE1 3.47Å; K123-E127 WeakPolarHBondContact O-CG 3.41Å; K123-E127 PolarHBondContact O-N 2.97Å; E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 3.47Å
128T97.9Very high97.9Very high38 Ų3852 Ų5223%0.23327%0.274CS..Hα-helixtrans-64.7-43.2177.4-55.40000111.5V16 L21 P31 Q124 E125 D126 A131 Y132V16-T128 HydrophobicContact CG2-CG2 4.24Å; L21-T128 HydrophobicContact CD1-CG2 4.16Å; P31-T128 HydrophobicContact CB-CG2 4.14Å; P31-T128 HydrophobicContact CG-CG2 4.24Å; Q124-T128 WeakPolarHBondContact O-CB 3.24Å; Q124-T128 PolarHBondContact O-N 3.18Å; Q124-T128 PolarHBondContact O-OG1 2.96Å; E125-T128 PolarHBondContact O-N 2.76Å; D126-T128 VanDerWaalsContact C-N 3.31Å; D126-T128 PolarHBondContact O-N 3.33Å; T128-A131 PolarHBondContact O-N 3.08Å; T128-Y132 WeakPolarHBondContact O-CB 3.37Å; T128-Y132 PolarHBondContact O-N 3.44Å
129M98.4Very high97.9Very high0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-63.1-48178.8-171.2176-73.600110.8V16 I105 P106 P120 E125 D126 A131 Y132 L133V16-M129 HydrophobicContact CG2-CB 3.63Å; V16-M129 HydrophobicContact CG2-CE 4.1Å; V16-M129 HydrophobicContact CG2-CG 4.19Å; I105-M129 HydrophobicContact CB-SD 4.31Å; I105-M129 HydrophobicContact CD1-SD 4.16Å; P106-M129 HydrophobicContact CB-SD 4.38Å; P106-M129 HydrophobicContact CG-SD 4.02Å; P120-M129 HydrophobicContact CB-CE 4.45Å; E125-M129 VanDerWaalsContact O-CB 3.31Å; E125-M129 WeakPolarHBondContact O-CB 3.46Å; E125-M129 PolarHBondContact O-N 2.98Å; D126-M129 PolarHBondContact O-N 2.63Å; M129-A131 VanDerWaalsContact C-N 3.35Å; M129-A131 PolarHBondContact O-N 3.16Å; M129-Y132 PolarHBondContact O-N 3.06Å; M129-L133 HydrophobicContact CG-CD1 4.02Å; M129-L133 HydrophobicContact CG-CG 4.35Å; M129-L133 WeakPolarHBondContact O-CB 3.33Å; M129-L133 VanDerWaalsContact O-CG 3.26Å; M129-L133 WeakPolarHBondContact O-CG 3.43Å; M129-L133 PolarHBondContact O-N 3.44Å
130R98.1Very high97.9Very high68 Ų6843.7 Ų43.726%0.25723%0.231SC..Hα-helixtrans-60.2-45.6177.8-69.9-177.6-164.7-80.6-8.3111.7I105 E108 D126 Q134I105-R130 HydrophobicContact CD1-CG 4.09Å; I105-R130 HydrophobicContact CG2-CG 4.14Å; E108-R130 IonicContact OE1-CZ 3.02Å; E108-R130 IonicContact OE1-NH1 3.39Å; E108-R130 PolarHBondContact OE1-NH1 2.83Å; E108-R130 IonicContact OE1-NH2 3.58Å; E108-R130 PolarHBondContact OE1-NH2 3.48Å; E108-R130 IonicContact OE2-NH1 2.68Å; D126-R130 WeakPolarHBondContact O-CG 3.27Å; D126-R130 PolarHBondContact O-N 3.42Å; D126-R130 IonicContact OD1-CZ 3.16Å; D126-R130 IonicContact OD1-NE 3.75Å; D126-R130 IonicContact OD1-NH2 3.55Å; D126-R130 PolarHBondContact OD1-NH2 2.93Å; D126-R130 IonicContact OD2-CZ 2.73Å; D126-R130 IonicContact OD2-NE 3.76Å; D126-R130 PolarHBondContact OD2-NE 3.46Å; D126-R130 IonicContact OD2-NH2 2.95Å; R130-Q134 VanDerWaalsContact O-CB 3.29Å; R130-Q134 WeakPolarHBondContact O-CB 3.28Å; R130-Q134 PolarHBondContact O-N 3.46Å
131A98.1Very high98Very high33 Ų3342.7 Ų42.727%0.27322%0.224SC..Hα-helixtrans-64-42.3178.200000111.8P31 E127 T128 M129 Q134 Q135P31-A131 HydrophobicContact CG-CB 4.36Å; E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 3.47Å; T128-A131 PolarHBondContact O-N 3.08Å; M129-A131 VanDerWaalsContact C-N 3.35Å; M129-A131 PolarHBondContact O-N 3.16Å; A131-Q134 PolarHBondContact O-N 2.96Å; A131-Q135 WeakPolarHBondContact O-CB 3.5Å; A131-Q135 PolarHBondContact O-N 3.31Å
132Y98.4Very high98.1Very high0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-64.1-48.3177.3-177.1-130.8000112V16 A20 L21 L22 V24 P31 A32 T67 T128 M129 Q134 Q135 L136V16-Y132 HydrophobicContact CG1-CD1 3.78Å; V16-Y132 HydrophobicContact CG1-CE1 4.37Å; A20-Y132 PolarHBondContact O-OH 3.13Å; L21-Y132 HydrophobicContact CG-CD2 4.28Å; L21-Y132 HydrophobicContact CG-CE2 4.37Å; L21-Y132 HydrophobicContact CG-CG 4.36Å; L22-Y132 PolarHBondContact N-OH 3.32Å; L22-Y132 PolarHBondContact O-OH 2.85Å; V24-Y132 HydrophobicContact CG2-CE2 4.49Å; P31-Y132 HydrophobicContact CG-CD2 4.32Å; P31-Y132 HydrophobicContact CG-CG 4.39Å; A32-Y132 HydrophobicContact CB-CD2 3.88Å; A32-Y132 HydrophobicContact CB-CE2 3.64Å; T67-Y132 HydrophobicContact CG2-CE1 4.23Å; T67-Y132 WeakPolarHBondContact CG2-OH 3.16Å; T128-Y132 WeakPolarHBondContact O-CB 3.37Å; T128-Y132 PolarHBondContact O-N 3.44Å; M129-Y132 PolarHBondContact O-N 3.06Å; Y132-Q134 VanDerWaalsContact C-N 3.33Å; Y132-Q134 PolarHBondContact O-N 3.22Å; Y132-Q135 WeakPolarHBondContact O-CB 3.46Å; Y132-Q135 PolarHBondContact O-N 3.2Å; Y132-L136 HydrophobicContact CD1-CD1 4.17Å; Y132-L136 HydrophobicContact CD2-CG 4.35Å; Y132-L136 HydrophobicContact CE1-CD1 3.75Å; Y132-L136 HydrophobicContact CE1-CG 4.46Å; Y132-L136 HydrophobicContact CE2-CD1 4.15Å; Y132-L136 HydrophobicContact CE2-CD2 4.15Å; Y132-L136 HydrophobicContact CE2-CG 3.98Å; Y132-L136 WeakPolarHBondContact O-CG 3.26Å; Y132-L136 PolarHBondContact O-N 3.44Å
133L98.4Very high98.1Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-64.5-38.5178.8-64178.7000111.3M19 Y70 I105 M129 L136 R137M19-L133 HydrophobicContact CE-CD2 3.78Å; M19-L133 HydrophobicContact SD-CD2 4.15Å; Y70-L133 HydrophobicContact CD1-CD2 3.73Å; Y70-L133 HydrophobicContact CD2-CD2 4.01Å; Y70-L133 HydrophobicContact CE1-CB 4.2Å; Y70-L133 HydrophobicContact CE1-CD2 3.63Å; Y70-L133 HydrophobicContact CE1-CG 4.42Å; Y70-L133 HydrophobicContact CE2-CD1 4.17Å; Y70-L133 HydrophobicContact CE2-CD2 3.91Å; Y70-L133 HydrophobicContact CE2-CG 4.49Å; Y70-L133 HydrophobicContact CG-CD2 3.92Å; I105-L133 HydrophobicContact CB-CD1 4.34Å; I105-L133 HydrophobicContact CG2-CD1 3.79Å; M129-L133 HydrophobicContact CG-CD1 4.02Å; M129-L133 HydrophobicContact CG-CG 4.35Å; M129-L133 WeakPolarHBondContact O-CB 3.33Å; M129-L133 VanDerWaalsContact O-CG 3.26Å; M129-L133 WeakPolarHBondContact O-CG 3.43Å; M129-L133 PolarHBondContact O-N 3.44Å; L133-L136 HydrophobicContact CD2-CD1 4.37Å; L133-L136 PolarHBondContact O-N 3.21Å; L133-R137 WeakPolarHBondContact O-CB 3.44Å; L133-R137 VanDerWaalsContact O-CG 3.24Å; L133-R137 WeakPolarHBondContact O-CG 3.35Å; L133-R137 PolarHBondContact O-N 3.48Å; L133-R137 PolarHBondContact O-NH1 3.34Å
134Q98.4Very high98.1Very high70 Ų7031 Ų3133%0.32715%0.151SC..Hα-helixtrans-61.8-45173.5-177.3178.93500111.7R130 A131 Y132 R137 Q138R130-Q134 VanDerWaalsContact O-CB 3.29Å; R130-Q134 WeakPolarHBondContact O-CB 3.28Å; R130-Q134 PolarHBondContact O-N 3.46Å; A131-Q134 PolarHBondContact O-N 2.96Å; Y132-Q134 VanDerWaalsContact C-N 3.33Å; Y132-Q134 PolarHBondContact O-N 3.22Å; Q134-R137 PolarHBondContact O-N 2.79Å; Q134-Q138 WeakPolarHBondContact O-CG 3.42Å; Q134-Q138 PolarHBondContact O-N 3.47Å
135Q98.1Very high98.2Very high5 Ų525 Ų252%0.02312%0.123CC..Hα-helixtrans-61.3-45.3178.1-168.9-177.923.400111.3T26 F28 G30 A32 A131 Y132 R137 Q138 E139T26-Q135 HydrophobicContact CG2-CG 3.99Å; F28-Q135 HydrophobicContact CB-CG 4.42Å; F28-Q135 PolarHBondContact O-NE2 3.47Å; G30-Q135 VanDerWaalsContact C-OE1 3.3Å; G30-Q135 VanDerWaalsContact CA-CD 3.45Å; A32-Q135 VanDerWaalsContact CB-OE1 3.25Å; A32-Q135 PolarHBondContact O-NE2 3.36Å; A131-Q135 WeakPolarHBondContact O-CB 3.5Å; A131-Q135 PolarHBondContact O-N 3.31Å; Y132-Q135 WeakPolarHBondContact O-CB 3.46Å; Y132-Q135 PolarHBondContact O-N 3.2Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; Q135-R137 PolarHBondContact O-N 3.1Å; Q135-Q138 PolarHBondContact O-N 3.48Å; Q135-E139 PolarHBondContact O-N 2.95Å; Q135-E139 VanDerWaalsContact O-N 3.09Å
136L98.6Very high98.1Very high2 Ų226.8 Ų26.81%0.0113%0.134CC..Hα-helixtrans-58-45.2173.4-73.3175.7000111.6V24 I41 I42 T67 Y70 V71 Y132 L133 T140V24-L136 HydrophobicContact CG2-CD2 3.9Å; I41-L136 HydrophobicContact CG2-CD2 4.1Å; I42-L136 HydrophobicContact CD1-CD2 4.14Å; I42-L136 HydrophobicContact CG1-CD2 4.14Å; T67-L136 HydrophobicContact CG2-CD1 3.98Å; Y70-L136 HydrophobicContact CD1-CD1 4.31Å; V71-L136 HydrophobicContact CG2-CD1 4.25Å; V71-L136 HydrophobicContact CG2-CD2 4.26Å; Y132-L136 HydrophobicContact CD1-CD1 4.17Å; Y132-L136 HydrophobicContact CD2-CG 4.35Å; Y132-L136 HydrophobicContact CE1-CD1 3.75Å; Y132-L136 HydrophobicContact CE1-CG 4.46Å; Y132-L136 HydrophobicContact CE2-CD1 4.15Å; Y132-L136 HydrophobicContact CE2-CD2 4.15Å; Y132-L136 HydrophobicContact CE2-CG 3.98Å; Y132-L136 WeakPolarHBondContact O-CG 3.26Å; Y132-L136 PolarHBondContact O-N 3.44Å; L133-L136 HydrophobicContact CD2-CD1 4.37Å; L133-L136 PolarHBondContact O-N 3.21Å; L136-T140 WeakPolarHBondContact O-CB 3.49Å; L136-T140 PolarHBondContact O-N 3.45Å; L136-T140 PolarHBondContact O-OG1 3.19Å
137R98.7Very high98Very high14 Ų1431.7 Ų31.75%0.05315%0.15CC..Hα-helixtrans-62.4-48.2-179.9-75.3-166.7-57.3-898.3112.2Y70 Y74 G99 T101 L133 Q134 Q135 T140 G141Y70-R137 HydrophobicContact CE1-CG 4.24Å; Y70-R137 PolarHBondContact OH-NH1 3.14Å; Y74-R137 HydrophobicContact CD1-CB 4.18Å; Y74-R137 HydrophobicContact CD1-CG 3.94Å; Y74-R137 HydrophobicContact CD2-CG 3.64Å; Y74-R137 HydrophobicContact CE1-CB 3.59Å; Y74-R137 HydrophobicContact CE1-CG 3.75Å; Y74-R137 WeakPolarHBondContact CE1-O 3.39Å; Y74-R137 HydrophobicContact CE2-CB 3.98Å; Y74-R137 HydrophobicContact CE2-CG 3.45Å; Y74-R137 VanDerWaalsContact CE2-CG 3.45Å; Y74-R137 HydrophobicContact CG-CG 3.88Å; Y74-R137 VanDerWaalsContact CZ-CB 3.45Å; Y74-R137 VanDerWaalsContact CZ-CG 3.49Å; G99-R137 PolarHBondContact O-NE 3.29Å; G99-R137 PolarHBondContact O-NH2 3.48Å; T101-R137 PolarHBondContact O-NH2 3Å; L133-R137 WeakPolarHBondContact O-CB 3.44Å; L133-R137 VanDerWaalsContact O-CG 3.24Å; L133-R137 WeakPolarHBondContact O-CG 3.35Å; L133-R137 PolarHBondContact O-N 3.48Å; L133-R137 PolarHBondContact O-NH1 3.34Å; Q134-R137 PolarHBondContact O-N 2.79Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; Q135-R137 PolarHBondContact O-N 3.1Å; R137-T140 PolarHBondContact O-N 3.09Å; R137-G141 PolarHBondContact O-N 3.04Å
138Q98.3Very high98.1Very high20 Ų2027.3 Ų27.39%0.09313%0.129CC..Hα-helixtrans-61.5-48.5-179.4-72-177.3-4100111.9F28 Q134 Q135 G141 L142F28-Q138 HydrophobicContact CB-CB 4.28Å; F28-Q138 HydrophobicContact CD1-CB 3.85Å; F28-Q138 HydrophobicContact CD1-CG 4.34Å; F28-Q138 HydrophobicContact CD2-CB 3.64Å; F28-Q138 HydrophobicContact CE1-CB 4.06Å; F28-Q138 HydrophobicContact CE2-CB 3.88Å; F28-Q138 HydrophobicContact CG-CB 3.64Å; F28-Q138 HydrophobicContact CZ-CB 4.07Å; Q134-Q138 WeakPolarHBondContact O-CG 3.42Å; Q134-Q138 PolarHBondContact O-N 3.47Å; Q135-Q138 PolarHBondContact O-N 3.48Å; Q138-G141 PolarHBondContact O-N 3.12Å; Q138-L142 PolarHBondContact O-N 2.62Å; Q138-L142 VanDerWaalsContact O-N 3.12Å
139E98Very high98.1Very high13 Ų1326 Ų266%0.06112%0.12CC..Hα-helixtrans-66.9-41.7179.8-171.761.8-148.700111.7V24 T26 F28 I42 Q135 G141 L142 R143V24-E139 HydrophobicContact CG1-CG 4.2Å; T26-E139 WeakPolarHBondContact CA-OE2 3.31Å; T26-E139 WeakPolarHBondContact CB-OE2 3.47Å; T26-E139 PolarHBondContact OG1-OE2 2.92Å; F28-E139 HydrophobicContact CD2-CB 4.16Å; F28-E139 WeakPolarHBondContact CD2-OE2 3.33Å; I42-E139 HydrophobicContact CD1-CB 3.6Å; I42-E139 HydrophobicContact CD1-CG 3.59Å; Q135-E139 PolarHBondContact O-N 2.95Å; Q135-E139 VanDerWaalsContact O-N 3.09Å; E139-G141 PolarHBondContact O-N 3.4Å; E139-L142 PolarHBondContact O-N 3.12Å; E139-R143 WeakPolarHBondContact O-CG 3.39Å; E139-R143 PolarHBondContact O-N 3.38Å; E139-R143 IonicContact OE1-CZ 3.41Å; E139-R143 IonicContact OE1-NE 3.32Å; E139-R143 PolarHBondContact OE1-NE 2.93Å; E139-R143 IonicContact OE1-NH2 2.68Å; E139-R143 PolarHBondContact OE1-NH2 3.28Å
140T98.7Very high97.9Very high1 Ų128.9 Ų28.91%0.00614%0.135CC..Hα-helixtrans-61.3-46.3177.3-590000111.2I42 V71 Y74 I75 L136 R137 L142 R143 L144I42-T140 HydrophobicContact CG2-CG2 4.45Å; V71-T140 HydrophobicContact CG1-CG2 4Å; Y74-T140 HydrophobicContact CD1-CG2 3.96Å; Y74-T140 HydrophobicContact CE1-CG2 4.5Å; I75-T140 HydrophobicContact CG1-CG2 3.74Å; L136-T140 WeakPolarHBondContact O-CB 3.49Å; L136-T140 PolarHBondContact O-N 3.45Å; L136-T140 PolarHBondContact O-OG1 3.19Å; R137-T140 PolarHBondContact O-N 3.09Å; T140-L142 PolarHBondContact O-N 3.06Å; T140-R143 PolarHBondContact O-N 3.45Å; T140-L144 WeakPolarHBondContact O-CB 3.25Å; T140-L144 PolarHBondContact O-N 2.9Å
141G98.4Very high97.6Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-60.8-44.9179.500000112.2M95 R137 Q138 E139 L144 C145M95-G141 WeakPolarHBondContact CG-O 3.33Å; R137-G141 PolarHBondContact O-N 3.04Å; Q138-G141 PolarHBondContact O-N 3.12Å; E139-G141 PolarHBondContact O-N 3.4Å; G141-L144 PolarHBondContact O-N 3.44Å; G141-C145 PolarHBondContact O-N 2.98Å
142L97.9Very high97.4Very high47 Ų4739.1 Ų39.125%0.24619%0.192CC..Hα-helixtrans-60.3-54.2176.8-179.863.4000111.7F28 Q138 E139 T140 L144 C145F28-L142 HydrophobicContact CE2-CB 4.24Å; F28-L142 HydrophobicContact CE2-CD2 3.87Å; F28-L142 HydrophobicContact CZ-CD2 4.1Å; Q138-L142 PolarHBondContact O-N 2.62Å; Q138-L142 VanDerWaalsContact O-N 3.12Å; E139-L142 PolarHBondContact O-N 3.12Å; T140-L142 PolarHBondContact O-N 3.06Å; L142-L144 PolarHBondContact O-N 3.29Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 2.76Å
143R97.9Very high97.2Very high30 Ų3042.9 Ų42.911%0.11322%0.215CC..Hα-helixtrans-64-30.2-179.3-66.8-169.7-167.2174.114.8112.7K25 D40 D43 I46 E139 T140 D146K25-R143 PolarHBondContact O-NH2 3.08Å; D40-R143 IonicContact OD1-CZ 3.54Å; D40-R143 IonicContact OD1-NH1 3.19Å; D40-R143 PolarHBondContact OD1-NH1 3.21Å; D40-R143 IonicContact OD1-NH2 3.66Å; D40-R143 IonicContact OD2-CZ 3.67Å; D40-R143 IonicContact OD2-NH1 2.83Å; D40-R143 PolarHBondContact OD2-NH1 2.87Å; D40-R143 VanDerWaalsContact OD2-NH1 3.16Å; D40-R143 IonicContact OD2-NH2 3.71Å; D40-R143 PolarHBondContact OD2-NH2 3.11Å; D43-R143 IonicContact OD1-CZ 2.88Å; D43-R143 IonicContact OD1-NH1 3.65Å; D43-R143 PolarHBondContact OD1-NH1 2.66Å; D43-R143 IonicContact OD2-NH1 2.82Å; D43-R143 PolarHBondContact OD2-NH1 3.08Å; D43-R143 VanDerWaalsContact OD2-NH1 3.1Å; I46-R143 HydrophobicContact CD1-CB 4Å; E139-R143 WeakPolarHBondContact O-CG 3.39Å; E139-R143 PolarHBondContact O-N 3.38Å; E139-R143 IonicContact OE1-CZ 3.41Å; E139-R143 IonicContact OE1-NE 3.32Å; E139-R143 PolarHBondContact OE1-NE 2.93Å; E139-R143 IonicContact OE1-NH2 2.68Å; E139-R143 PolarHBondContact OE1-NH2 3.28Å; T140-R143 PolarHBondContact O-N 3.45Å; R143-D146 PolarHBondContact O-N 3.19Å
144L98.2Very high97Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-70.6-32.3178.5-166.169.5000112I75 C78 L79 L82 T140 G141 L142 D146 R147 V148 W160I75-L144 HydrophobicContact CG2-CD1 4.09Å; I75-L144 HydrophobicContact CG2-CD2 4.05Å; C78-L144 HydrophobicContact CB-CD2 3.33Å; L79-L144 HydrophobicContact CD2-CD2 4.19Å; L79-L144 HydrophobicContact CG-CD2 4.39Å; L82-L144 HydrophobicContact CD1-CD2 4.03Å; L82-L144 HydrophobicContact CD1-CG 4.29Å; T140-L144 WeakPolarHBondContact O-CB 3.25Å; T140-L144 PolarHBondContact O-N 2.9Å; G141-L144 PolarHBondContact O-N 3.44Å; L142-L144 PolarHBondContact O-N 3.29Å; L144-D146 VanDerWaalsContact C-N 3.25Å; L144-D146 PolarHBondContact O-N 2.92Å; L144-R147 PolarHBondContact O-N 3.44Å; L144-V148 HydrophobicContact CD1-CG2 4.08Å; L144-V148 HydrophobicContact CD2-CG2 4.39Å; L144-V148 HydrophobicContact CG-CG2 3.76Å; L144-V148 WeakPolarHBondContact O-CB 3.49Å; L144-V148 WeakPolarHBondContact O-CG2 3.26Å; L144-V148 PolarHBondContact O-N 3.01Å; L144-W160 HydrophobicContact CD1-CE3 4.34Å; L144-W160 HydrophobicContact CD1-CH2 4.28Å; L144-W160 HydrophobicContact CD1-CZ3 3.97Å
145C97.8Very high96.9Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-56.4-41.3172.7-75.20000111.6E92 G141 L142 R147 V148 F149E92-C145 HydrophobicContact CG-CB 4.27Å; G141-C145 PolarHBondContact O-N 2.98Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 2.76Å; C145-R147 PolarHBondContact O-N 2.91Å; C145-V148 PolarHBondContact O-N 3.4Å; C145-F149 HydrophobicContact CB-CD2 4.26Å; C145-F149 HydrophobicContact CB-CE2 4.48Å; C145-F149 WeakPolarHBondContact O-CD2 3.33Å; C145-F149 PolarHBondContact O-N 3.4Å; C145-F149 VanDerWaalsContact O-N 3.13Å
146D96.1Very high96.8Very high87 Ų8750 Ų5047%0.46525%0.251SS..Hα-helixtrans-65.7-22.5177.9-63.6-23.5000113.5R88 R143 L144R88-D146 IonicContact CZ-OD1 3.44Å; R88-D146 IonicContact NE-OD1 3.73Å; R88-D146 PolarHBondContact NE-OD1 3.13Å; R88-D146 IonicContact NH2-OD1 2.8Å; R88-D146 PolarHBondContact NH2-OD1 2.86Å; R143-D146 PolarHBondContact O-N 3.19Å; L144-D146 VanDerWaalsContact C-N 3.25Å; L144-D146 PolarHBondContact O-N 2.92Å
147R97.1Very high96.7Very high145 Ų14551.3 Ų51.355%0.54726%0.26SS..Hα-helixtrans-93.6-33.4178.8-56.9-57.6-174.1143.33.5112.9I46 L144 C145 W160I46-R147 HydrophobicContact CG2-CG 4.12Å; L144-R147 PolarHBondContact O-N 3.44Å; C145-R147 PolarHBondContact O-N 2.91Å; R147-W160 HydrophobicContact CB-CZ2 3.74Å; R147-W160 HydrophobicContact CG-CZ2 4.44Å; R147-W160 PolarHBondContact O-NE1 3.33Å
148V97.9Very high96.6Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-86.9-39.5-171.3171.80000111.8L79 L82 L144 C145 P156 S157 W160L79-V148 HydrophobicContact CD2-CG2 3.75Å; L82-V148 HydrophobicContact CB-CG1 4.37Å; L82-V148 HydrophobicContact CD1-CB 4.04Å; L82-V148 HydrophobicContact CD1-CG1 4.04Å; L82-V148 HydrophobicContact CD1-CG2 3.93Å; L144-V148 HydrophobicContact CD1-CG2 4.08Å; L144-V148 HydrophobicContact CD2-CG2 4.39Å; L144-V148 HydrophobicContact CG-CG2 3.76Å; L144-V148 WeakPolarHBondContact O-CB 3.49Å; L144-V148 WeakPolarHBondContact O-CG2 3.26Å; L144-V148 PolarHBondContact O-N 3.01Å; C145-V148 PolarHBondContact O-N 3.4Å; V148-P156 HydrophobicContact CG1-CB 4.11Å; V148-S157 WeakPolarHBondContact O-CB 3.4Å; V148-S157 PolarHBondContact O-N 3.25Å; V148-W160 HydrophobicContact CG1-CB 4.42Å; V148-W160 HydrophobicContact CG2-CB 3.94Å; V148-W160 HydrophobicContact CG2-CD2 4.07Å; V148-W160 HydrophobicContact CG2-CE3 4.42Å; V148-W160 HydrophobicContact CG2-CG 3.86Å
149F97.8Very high96.6Very high10 Ų1064.6 Ų64.64%0.04431%0.313CS..BIsolated β-bridgetrans-85.8135.4-178-69.7-87.2000111.7L82 C85 S87 R88 C145 D154 P156L82-F149 HydrophobicContact CD2-CE2 3.74Å; L82-F149 HydrophobicContact CD2-CZ 4.06Å; C85-F149 HydrophobicContact CB-CE1 4.31Å; C85-F149 HydrophobicContact CB-CZ 3.87Å; S87-F149 VanDerWaalsContact O-CE1 3.26Å; S87-F149 WeakPolarHBondContact O-CE1 3.47Å; S87-F149 WeakPolarHBondContact O-CZ 3.33Å; R88-F149 HydrophobicContact CB-CB 3.99Å; R88-F149 HydrophobicContact CB-CD1 4.16Å; R88-F149 HydrophobicContact CB-CD2 4.06Å; R88-F149 HydrophobicContact CB-CG 3.81Å; R88-F149 HydrophobicContact CG-CB 4.35Å; R88-F149 HydrophobicContact CG-CD2 4.18Å; R88-F149 HydrophobicContact CG-CG 4.31Å; C145-F149 HydrophobicContact CB-CD2 4.26Å; C145-F149 HydrophobicContact CB-CE2 4.48Å; C145-F149 WeakPolarHBondContact O-CD2 3.33Å; C145-F149 PolarHBondContact O-N 3.4Å; C145-F149 VanDerWaalsContact O-N 3.13Å; F149-D154 WeakPolarHBondContact CD1-O 3.46Å; F149-P156 HydrophobicContact CD1-CG 4.17Å; F149-P156 HydrophobicContact CE1-CB 4.47Å; F149-P156 HydrophobicContact CE1-CG 3.6Å; F149-P156 HydrophobicContact CZ-CG 4.16Å
150D94.6Very high96.6Very high61 Ų6165.1 Ų65.133%0.32632%0.315SS..  trans-76.8124.6174.8179.1-70.7000110.1Q152 T153 D154 K155D150-Q152 PolarHBondContact O-N 3.13Å; D150-Q152 VanDerWaalsContact O-N 3.16Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.45Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.39Å; D150-Q152 PolarHBondContact OD1-N 3.32Å; D150-T153 WeakPolarHBondContact CB-OG1 3.42Å; D150-T153 PolarHBondContact O-N 2.99Å; D150-T153 PolarHBondContact OD1-N 3.22Å; D150-T153 PolarHBondContact OD1-OG1 3.06Å; D150-D154 WeakPolarHBondContact O-CA 3.29Å; D150-D154 PolarHBondContact O-N 2.91Å; D150-K155 PolarHBondContact N-O 2.9Å
151P92.6Very high96.5Very high133 Ų13366.8 Ų66.886%0.86432%0.323SS*.THydrogen-bonded Turntrans-63.6-20.4-175.9-24.734.3000115.3
152Q93.1Very high96.4Very high184 Ų18470.4 Ų70.486%0.8635%0.348SS*.THydrogen-bonded Turntrans-90.1-37-179.4-60.4-177-7.400111.7D150D150-Q152 PolarHBondContact O-N 3.13Å; D150-Q152 VanDerWaalsContact O-N 3.16Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.45Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.39Å; D150-Q152 PolarHBondContact OD1-N 3.32Å
153T94.4Very high96.4Very high79 Ų7969.2 Ų69.249%0.48534%0.341SS..THydrogen-bonded Turntrans-105.6-12-173.265.70000114.4D150 K155D150-T153 WeakPolarHBondContact CB-OG1 3.42Å; D150-T153 PolarHBondContact O-N 2.99Å; D150-T153 PolarHBondContact OD1-N 3.22Å; D150-T153 PolarHBondContact OD1-OG1 3.06Å; T153-K155 PolarHBondContact O-N 3.38Å; T153-K155 VanDerWaalsContact O-N 3.09Å
154D94.9Very high96.3Very high66 Ų6668.7 Ų68.735%0.35334%0.341SS..  trans57.516.8-174.9-160.133.7000114S87 R88 F149 D150S87-D154 VanDerWaalsContact CA-O 3.31Å; S87-D154 WeakPolarHBondContact CA-O 3.41Å; S87-D154 WeakPolarHBondContact CA-OD2 3.32Å; S87-D154 WeakPolarHBondContact CB-OD2 3.41Å; R88-D154 WeakPolarHBondContact CB-OD1 3.37Å; R88-D154 PolarHBondContact N-OD1 2.75Å; R88-D154 PolarHBondContact N-OD2 3.47Å; F149-D154 WeakPolarHBondContact CD1-O 3.46Å; D150-D154 WeakPolarHBondContact O-CA 3.29Å; D150-D154 PolarHBondContact O-N 2.91Å
155K95.3Very high96.1Very high134 Ų13477.9 Ų77.958%0.58338%0.381SS*.SBendtrans-101.6150-178.2-72.2176.9-175.7179.50111.7D150 T153 S157D150-K155 PolarHBondContact N-O 2.9Å; T153-K155 PolarHBondContact O-N 3.38Å; T153-K155 VanDerWaalsContact O-N 3.09Å; K155-S157 PolarHBondContact O-N 2.98Å
156P96.5Very high96.1Very high25 Ų2582.3 Ų82.316%0.16240%0.4CS..BIsolated β-bridgetrans-60.7130.2171.8-22.632.5000112.4L82 C85 V148 F149 K158 L161L82-P156 WeakPolarHBondContact O-CG 3.39Å; C85-P156 VanDerWaalsContact O-CG 3.3Å; C85-P156 WeakPolarHBondContact O-CG 3.32Å; V148-P156 HydrophobicContact CG1-CB 4.11Å; F149-P156 HydrophobicContact CD1-CG 4.17Å; F149-P156 HydrophobicContact CE1-CB 4.47Å; F149-P156 HydrophobicContact CE1-CG 3.6Å; F149-P156 HydrophobicContact CZ-CG 4.16Å; P156-K158 PolarHBondContact O-N 2.95Å; P156-L161 HydrophobicContact CB-CD1 3.67Å; P156-L161 HydrophobicContact CB-CD2 4.16Å; P156-L161 HydrophobicContact CB-CG 4.03Å
157S97Very high96Very high28 Ų2882.6 Ų82.620%0.19640%0.399CS..PPolyproline II helixtrans-71.1126.9-179.1178.90000111.9V148 K155 W159 W160 L161V148-S157 WeakPolarHBondContact O-CB 3.4Å; V148-S157 PolarHBondContact O-N 3.25Å; K155-S157 PolarHBondContact O-N 2.98Å; S157-W159 PolarHBondContact O-N 3.23Å; S157-W159 VanDerWaalsContact O-N 3.07Å; S157-W159 PolarHBondContact OG-N 2.81Å; S157-W160 PolarHBondContact O-N 3.39Å; S157-L161 PolarHBondContact O-N 3.31Å
158K96.6Very high95.9Very high144 Ų14475.8 Ų75.863%0.62637%0.373SS*.Hα-helixtrans-56.7-25.6174.170.7179.5-177.9-178.40113.1P156 W160 L161 C162P156-K158 PolarHBondContact O-N 2.95Å; K158-W160 PolarHBondContact O-N 2.73Å; K158-L161 PolarHBondContact O-N 2.89Å; K158-C162 WeakPolarHBondContact O-CB 3.4Å; K158-C162 PolarHBondContact O-N 3.25Å
159W96.8Very high95.9Very high170 Ų17076.6 Ų76.664%0.64438%0.377SS*.Hα-helixtrans-75.4-6.7178.8-53.9117.1000114K50 S157 F163K50-W159 PolarHBondContact NZ-O 3.15Å; S157-W159 PolarHBondContact O-N 3.23Å; S157-W159 VanDerWaalsContact O-N 3.07Å; S157-W159 PolarHBondContact OG-N 2.81Å; W159-F163 WeakPolarHBondContact O-CE2 3.41Å
160W98Very high95.7Very high24 Ų2480.4 Ų80.49%0.09140%0.398CS..Hα-helixtrans-109.5-41.7167.1-78.3100000110.9I46 F49 L79 L144 R147 V148 S157 K158 C162 F163I46-W160 HydrophobicContact CG2-CH2 4.02Å; F49-W160 HydrophobicContact CD1-CE3 4.28Å; F49-W160 AromaticContact CD1-CZ3 3.67Å; F49-W160 HydrophobicContact CD1-CZ3 3.67Å; F49-W160 HydrophobicContact CE1-CE3 4.42Å; F49-W160 HydrophobicContact CE1-CZ3 4.22Å; F49-W160 HydrophobicContact CG-CZ3 4.43Å; L79-W160 HydrophobicContact CD1-CE3 4.48Å; L79-W160 HydrophobicContact CD2-CB 4.13Å; L79-W160 HydrophobicContact CD2-CE3 4.25Å; L144-W160 HydrophobicContact CD1-CE3 4.34Å; L144-W160 HydrophobicContact CD1-CH2 4.28Å; L144-W160 HydrophobicContact CD1-CZ3 3.97Å; R147-W160 HydrophobicContact CB-CZ2 3.74Å; R147-W160 HydrophobicContact CG-CZ2 4.44Å; R147-W160 PolarHBondContact O-NE1 3.33Å; V148-W160 HydrophobicContact CG1-CB 4.42Å; V148-W160 HydrophobicContact CG2-CB 3.94Å; V148-W160 HydrophobicContact CG2-CD2 4.07Å; V148-W160 HydrophobicContact CG2-CE3 4.42Å; V148-W160 HydrophobicContact CG2-CG 3.86Å; S157-W160 PolarHBondContact O-N 3.39Å; K158-W160 PolarHBondContact O-N 2.73Å; W160-C162 PolarHBondContact O-N 3.03Å; W160-F163 WeakPolarHBondContact O-CD2 3.25Å; W160-F163 PolarHBondContact O-N 3.04Å; W160-F163 VanDerWaalsContact O-N 3.1Å
161L96.8Very high95.7Very high35 Ų3581.5 Ų81.518%0.18340%0.4CS..Hα-helixtrans-65.4-22.3-178.4-63.9-170.9000114.2Q83 P156 S157 K158 F163 V164Q83-L161 HydrophobicContact CB-CD2 3.94Å; Q83-L161 HydrophobicContact CG-CD1 4.24Å; Q83-L161 HydrophobicContact CG-CD2 4.39Å; P156-L161 HydrophobicContact CB-CD1 3.67Å; P156-L161 HydrophobicContact CB-CD2 4.16Å; P156-L161 HydrophobicContact CB-CG 4.03Å; S157-L161 PolarHBondContact O-N 3.31Å; K158-L161 PolarHBondContact O-N 2.89Å; L161-F163 PolarHBondContact O-N 2.94Å; L161-F163 VanDerWaalsContact O-N 3.11Å; L161-V164 HydrophobicContact CD2-CG2 4.23Å; L161-V164 WeakPolarHBondContact O-CB 3.31Å; L161-V164 VanDerWaalsContact O-CG2 3.23Å; L161-V164 WeakPolarHBondContact O-CG2 3.35Å; L161-V164 PolarHBondContact O-N 3.35Å; L161-V164 VanDerWaalsContact O-N 3.17Å
162C97.4Very high95.8Very high77 Ų7776.4 Ų76.452%0.5237%0.367SS..THydrogen-bonded Turntrans-61.6-17.4174.3640000113.5K158 W160K158-C162 WeakPolarHBondContact O-CB 3.4Å; K158-C162 PolarHBondContact O-N 3.25Å; W160-C162 PolarHBondContact O-N 3.03Å
163F97.6Very high95.8Very high22 Ų2267.9 Ų67.910%0.09633%0.327CS..THydrogen-bonded Turntrans-89.7-7.5178.6-62.5-78.8000114.3F49 K50 V53 F54 L79 W159 W160 L161 K165 K166F49-F163 HydrophobicContact CE1-CB 3.85Å; F49-F163 HydrophobicContact CE1-CD2 4.44Å; F49-F163 HydrophobicContact CE1-CG 4.08Å; F49-F163 HydrophobicContact CZ-CB 4.21Å; K50-F163 HydrophobicContact CB-CE1 4.33Å; K50-F163 HydrophobicContact CB-CE2 4.32Å; K50-F163 HydrophobicContact CB-CZ 3.85Å; K50-F163 HydrophobicContact CD-CE2 3.77Å; K50-F163 HydrophobicContact CD-CZ 4Å; K50-F163 HydrophobicContact CG-CD2 4.48Å; K50-F163 HydrophobicContact CG-CE2 3.79Å; K50-F163 HydrophobicContact CG-CZ 3.85Å; V53-F163 HydrophobicContact CG1-CD1 3.62Å; V53-F163 HydrophobicContact CG1-CE1 4.07Å; F54-F163 HydrophobicContact CE2-CD1 4.34Å; F54-F163 AromaticContact CE2-CE1 3.63Å; F54-F163 HydrophobicContact CE2-CE1 3.63Å; F54-F163 HydrophobicContact CZ-CD1 4.27Å; F54-F163 AromaticContact CZ-CE1 3.74Å; F54-F163 HydrophobicContact CZ-CE1 3.74Å; L79-F163 HydrophobicContact CD1-CB 4.12Å; W159-F163 WeakPolarHBondContact O-CE2 3.41Å; W160-F163 WeakPolarHBondContact O-CD2 3.25Å; W160-F163 PolarHBondContact O-N 3.04Å; W160-F163 VanDerWaalsContact O-N 3.1Å; L161-F163 PolarHBondContact O-N 2.94Å; L161-F163 VanDerWaalsContact O-N 3.11Å; F163-K165 PolarHBondContact O-N 2.99Å; F163-K165 VanDerWaalsContact O-N 3.08Å; F163-K166 HydrophobicContact CD1-CG 4.39Å; F163-K166 WeakPolarHBondContact O-CB 3.41Å; F163-K166 PolarHBondContact O-N 2.83Å
164V96.3Very high95.3Very high19 Ų1965 Ų6512%0.11531%0.311CS..THydrogen-bonded Turntrans-54.3-35.1-174.81700000113.4L79 K80 Q83 L161L79-V164 HydrophobicContact CB-CG2 3.92Å; K80-V164 HydrophobicContact CG-CG1 4.1Å; Q83-V164 HydrophobicContact CB-CG2 4.3Å; L161-V164 HydrophobicContact CD2-CG2 4.23Å; L161-V164 WeakPolarHBondContact O-CB 3.31Å; L161-V164 VanDerWaalsContact O-CG2 3.23Å; L161-V164 WeakPolarHBondContact O-CG2 3.35Å; L161-V164 PolarHBondContact O-N 3.35Å; L161-V164 VanDerWaalsContact O-N 3.17Å
165K94.6Very high94.1Very high193 Ų19364.7 Ų64.784%0.83932%0.317SS*.THydrogen-bonded Turntrans-88.6-2.3-179.9-64-174.9178.4-177.90113.7F163F163-K165 PolarHBondContact O-N 2.99Å; F163-K165 VanDerWaalsContact O-N 3.08Å
166K96Very high92.4Very high92 Ų9264.9 Ų64.940%0.433%0.332SS..  trans-88136.5179.9-58.3-62.6-179.9179.20109.3V53 F54 F163V53-K166 HydrophobicContact CG1-CB 4.34Å; V53-K166 HydrophobicContact CG2-CB 3.71Å; F54-K166 HydrophobicContact CD1-CD 4.28Å; F54-K166 HydrophobicContact CE1-CD 3.92Å; F54-K166 HydrophobicContact CE1-CG 4.29Å; F163-K166 HydrophobicContact CD1-CG 4.39Å; F163-K166 WeakPolarHBondContact O-CB 3.41Å; F163-K166 PolarHBondContact O-N 2.83Å
167Q94Very high90.4Very high94 Ų9467.8 Ų67.844%0.43937%0.367SS..  trans-121.9110-178.6-69.7-176.3-32.300109.5M169 N170Q167-M169 PolarHBondContact O-N 2.78Å; Q167-N170 PolarHBondContact O-N 3.41Å; Q167-N170 VanDerWaalsContact O-N 3.14Å
168F96.6Very high88.1Confident1 Ų174.4 Ų74.40%0.00440%0.395CS..G310 helixtrans-59.7130.5171.2179.7-130.3000109.9N52 F55 Y58 I69 T72 L73 N170 K171N52-F168 HydrophobicContact CB-CE2 4.44Å; N52-F168 WeakPolarHBondContact O-CD2 3.14Å; N52-F168 WeakPolarHBondContact O-CE2 3.37Å; F55-F168 HydrophobicContact CB-CE2 4.26Å; Y58-F168 AromaticContact CD2-CE2 3.85Å; Y58-F168 HydrophobicContact CD2-CE2 3.85Å; Y58-F168 AromaticContact CD2-CZ 3.47Å; Y58-F168 HydrophobicContact CD2-CZ 3.47Å; Y58-F168 VanDerWaalsContact CD2-CZ 3.47Å; Y58-F168 HydrophobicContact CE2-CZ 4.03Å; Y58-F168 HydrophobicContact CG-CE2 4.48Å; Y58-F168 AromaticContact CG-CZ 3.93Å; Y58-F168 HydrophobicContact CG-CZ 3.93Å; I69-F168 HydrophobicContact CB-CE1 4.17Å; I69-F168 HydrophobicContact CG1-CE1 3.91Å; I69-F168 HydrophobicContact CG1-CZ 4.23Å; I69-F168 HydrophobicContact CG2-CE1 3.97Å; T72-F168 HydrophobicContact CG2-CB 4.24Å; T72-F168 HydrophobicContact CG2-CD1 3.64Å; T72-F168 HydrophobicContact CG2-CE1 4.07Å; T72-F168 HydrophobicContact CG2-CG 3.92Å; L73-F168 HydrophobicContact CD2-CB 4.18Å; L73-F168 HydrophobicContact CD2-CD1 4.08Å; L73-F168 HydrophobicContact CG-CD1 4.29Å; F168-N170 PolarHBondContact O-N 3.35Å; F168-K171 PolarHBondContact O-N 3.04Å
169M96.1Very high87.7Confident17 Ų1771 Ų718%0.08438%0.383CS..G310 helixtrans55.516.6-175.4-57.4177.368.600115.1F55 K56 I69 L113 M116 Q167 K171F55-M169 PolarHBondContact O-N 2.8Å; K56-M169 WeakPolarHBondContact O-CA 3.5Å; I69-M169 HydrophobicContact CG2-SD 4.28Å; L113-M169 HydrophobicContact CD2-CE 4.2Å; M116-M169 HydrophobicContact CE-CE 4.04Å; M116-M169 HydrophobicContact SD-CE 3.85Å; Q167-M169 PolarHBondContact O-N 2.78Å; M169-K171 HydrophobicContact CB-CG 4.05Å; M169-K171 WeakPolarHBondContact O-CG 3.4Å; M169-K171 PolarHBondContact O-N 2.99Å
170N94.9Very high87.2Confident91 Ų9165.7 Ų65.749%0.48737%0.37SS..G310 helixtrans52.233.8-166.3-49.6-58.6000113.1Q167 F168Q167-N170 PolarHBondContact O-N 3.41Å; Q167-N170 VanDerWaalsContact O-N 3.14Å; F168-N170 PolarHBondContact O-N 3.35Å
171K94.8Very high86.6Confident83 Ų8368.1 Ų68.136%0.36139%0.385SS..  trans-114.9159.3178.5-61.3-54-172.5154.60111.1L73 P112 L113 F168 M169L73-K171 HydrophobicContact CD2-CB 4.02Å; P112-K171 HydrophobicContact CB-CB 4.06Å; P112-K171 HydrophobicContact CB-CD 4.08Å; P112-K171 HydrophobicContact CB-CG 4.34Å; P112-K171 HydrophobicContact CG-CB 4.45Å; P112-K171 WeakPolarHBondContact O-CE 3.31Å; P112-K171 PolarHBondContact O-NZ 2.72Å; L113-K171 HydrophobicContact CD2-CD 4.39Å; L113-K171 HydrophobicContact CD2-CG 3.83Å; L113-K171 HydrophobicContact CG-CG 4.33Å; F168-K171 PolarHBondContact O-N 3.04Å; M169-K171 HydrophobicContact CB-CG 4.05Å; M169-K171 WeakPolarHBondContact O-CG 3.4Å; M169-K171 PolarHBondContact O-N 2.99Å
172S93.8Very high86Confident26 Ų2670 Ų7018%0.18240%0.397CS..  trans-147.2139.4-178.9179.80000107.9E77 K80 P112 S174E77-S172 PolarHBondContact OE1-OG 3.19Å; E77-S172 VanDerWaalsContact OE1-OG 3.06Å; K80-S172 PolarHBondContact NZ-OG 3.46Å; K80-S172 VanDerWaalsContact NZ-OG 3.08Å; P112-S172 WeakPolarHBondContact CB-O 3.42Å; P112-S172 WeakPolarHBondContact CG-O 3.19Å; S172-S174 WeakPolarHBondContact CB-O 3.37Å; S172-S174 PolarHBondContact OG-O 2.68Å
173L92.8Very high85.2Confident5 Ų569.6 Ų69.63%0.02639%0.389CS..SBendtrans-80.2-25.4175.8-69.9174000111.4Y70 L73 Y74 E77 F103 F111 P112Y70-L173 HydrophobicContact CD2-CD2 4.41Å; Y70-L173 HydrophobicContact CE2-CD1 4.1Å; Y70-L173 HydrophobicContact CE2-CD2 4.15Å; L73-L173 HydrophobicContact CB-CD1 3.98Å; L73-L173 HydrophobicContact CB-CD2 4.49Å; L73-L173 HydrophobicContact CB-CG 3.89Å; L73-L173 HydrophobicContact CD1-CD2 4.27Å; L73-L173 HydrophobicContact CD1-CG 4.46Å; Y74-L173 HydrophobicContact CD2-CD1 4.2Å; E77-L173 HydrophobicContact CG-CB 3.93Å; E77-L173 HydrophobicContact CG-CD1 4.47Å; E77-L173 PolarHBondContact OE1-N 3.06Å; E77-L173 VanDerWaalsContact OE1-N 3.12Å; F103-L173 HydrophobicContact CD1-CB 3.85Å; F103-L173 HydrophobicContact CE1-CB 3.85Å; F111-L173 HydrophobicContact CE2-CD2 4.3Å; P112-L173 HydrophobicContact CG-CD2 4.13Å
174S83.6Confident84.4Confident20 Ų2072.7 Ų72.714%0.1441%0.409CS..SBendtrans-93.2148.4171.7-51.40000110.5E77 S172E77-S174 PolarHBondContact OE1-N 2.74Å; E77-S174 VanDerWaalsContact OE2-CB 3.27Å; E77-S174 WeakPolarHBondContact OE2-CB 3.34Å; E77-S174 PolarHBondContact OE2-OG 3.24Å; S172-S174 WeakPolarHBondContact CB-O 3.37Å; S172-S174 PolarHBondContact OG-O 2.68Å
175A71.5Confident83.6Confident59 Ų5976.6 Ų76.649%0.48843%0.43SS..PPolyproline II helixtrans-60.3154.1172.400000111.4G177 Q178A175-G177 PolarHBondContact O-N 3.37Å; A175-Q178 PolarHBondContact O-N 3.02Å
176P59.8Low82.7Confident137 Ų13767.6 Ų67.689%0.8940%0.398SS*.THydrogen-bonded Turntrans-55.1123.7174.2-22.833000111.2
177G53.8Low81.6Confident87 Ų8765.6 Ų65.690%0.89740%0.398SS*.THydrogen-bonded Turntrans100.83174.300000117A175A175-G177 PolarHBondContact O-N 3.37Å
178Q48Very low80.5Confident167 Ų16763 Ų6378%0.7839%0.394SS*.  trans-97.20171.9-70.3-165.6-7.600113.8A175A175-Q178 PolarHBondContact O-N 3.02Å

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