A0A087WTU4_HUMAN Loading...

Rho GTPase activating protein 23

AlphaFold DB , UniProt , Accession A0A087WTU4, Species HUMAN (Homo sapiens, Human), Gene ARHGAP23, Length 135 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
1I79.9Confident90.5Very high62 Ų6299.9 Ų99.932%0.31851%0.512SS..  0-21.1075.9160.5000113.7D3 L4 Y9 L69 F76 F77I1-D3 VanDerWaalsContact C-N 3.31Å; I1-L4 HydrophobicContact CB-CD1 4.39Å; I1-L4 WeakPolarHBondContact O-CD1 3.24Å; I1-L4 PolarHBondContact O-N 3.35Å; I1-Y9 HydrophobicContact CD1-CE2 4.21Å; I1-Y9 HydrophobicContact CG1-CE2 4.48Å; I1-L69 HydrophobicContact CG2-CD2 4.27Å; I1-F76 HydrophobicContact CD1-CB 3.68Å; I1-F76 HydrophobicContact CD1-CD1 3.63Å; I1-F76 HydrophobicContact CD1-CG 4.01Å; I1-F76 HydrophobicContact CG1-CD1 4.11Å; I1-F76 HydrophobicContact CG2-CD1 4.33Å; I1-F76 HydrophobicContact CG2-CE1 4.39Å; I1-F77 HydrophobicContact CD1-CD1 4.19Å; I1-F77 HydrophobicContact CD1-CE1 3.76Å; I1-F77 HydrophobicContact CD1-CZ 3.99Å
2R84Confident90.9Very high118 Ų11894 Ų9445%0.44548%0.482SS..THydrogen-bonded Turntrans-81.2-11.4178.9-63-167.1-175.9142.86.6114.2L4 Y9 E81R2-L4 PolarHBondContact O-N 3.38Å; R2-Y9 HydrophobicContact CG-CE2 4.46Å; R2-E81 IonicContact CZ-OE2 2.61Å; R2-E81 VanDerWaalsContact NH1-CB 3.32Å; R2-E81 IonicContact NH1-OE2 2.71Å; R2-E81 PolarHBondContact NH1-OE2 3.39Å; R2-E81 IonicContact NH2-OE2 3.01Å; R2-E81 PolarHBondContact NH2-OE2 3.3Å
3D88.1Confident91.2Very high160 Ų16091.2 Ų91.286%0.85647%0.465SS*.THydrogen-bonded Turntrans-78-4.2172.3-47.6-59.6000112.9I1I1-D3 VanDerWaalsContact C-N 3.31Å
4L88.6Confident91.6Very high68 Ų6896.5 Ų96.536%0.35648%0.483SS..SBendtrans-67.9138.4173.5-83.586.3000109.7I1 R2 G6 L12I1-L4 HydrophobicContact CB-CD1 4.39Å; I1-L4 WeakPolarHBondContact O-CD1 3.24Å; I1-L4 PolarHBondContact O-N 3.35Å; R2-L4 PolarHBondContact O-N 3.38Å; L4-G6 PolarHBondContact O-N 3.09Å; L4-L12 HydrophobicContact CD2-CD2 4.3Å
5P94.4Very high91.9Very high82 Ų8293 Ų9353%0.53247%0.466SS..  trans-50.2141.7168.2-26.831000111.8H7 Y8 Y9P5-H7 VanDerWaalsContact C-N 3.33Å; P5-H7 PolarHBondContact O-N 3.13Å; P5-H7 VanDerWaalsContact O-N 3.12Å; P5-Y8 HydrophobicContact CB-CD2 3.59Å; P5-Y8 HydrophobicContact CB-CE2 4Å; P5-Y8 HydrophobicContact CG-CD2 3.59Å; P5-Y8 HydrophobicContact CG-CE2 3.87Å; P5-Y8 WeakPolarHBondContact O-CA 3.2Å; P5-Y8 WeakPolarHBondContact O-CB 3.29Å; P5-Y8 PolarHBondContact O-N 2.94Å; P5-Y9 PolarHBondContact O-N 2.91Å
6G90.3Very high92.2Very high52 Ų5287.2 Ų87.254%0.53644%0.437SS..Hα-helixtrans-50.9-45.1-16700000114.8L4 Y8 Y9 E10L4-G6 PolarHBondContact O-N 3.09Å; G6-Y8 VanDerWaalsContact C-N 3.32Å; G6-Y8 PolarHBondContact O-N 2.8Å; G6-Y9 WeakPolarHBondContact O-CB 3.5Å; G6-Y9 PolarHBondContact O-N 3.06Å; G6-E10 WeakPolarHBondContact O-CG 3.47Å; G6-E10 PolarHBondContact O-N 3.07Å
7H94.3Very high92.5Very high164 Ų16483.7 Ų83.776%0.75943%0.428SS*.Hα-helixtrans-63.1-35.7178.2-63.4-56.9000113.7P5 T11P5-H7 VanDerWaalsContact C-N 3.33Å; P5-H7 PolarHBondContact O-N 3.13Å; P5-H7 VanDerWaalsContact O-N 3.12Å; H7-T11 WeakPolarHBondContact O-CB 3.4Å; H7-T11 PolarHBondContact O-N 2.79Å; H7-T11 VanDerWaalsContact O-N 3.15Å; H7-T11 PolarHBondContact O-OG1 2.84Å
8Y92.8Very high92.8Very high154 Ų15484.7 Ų84.760%0.60443%0.431SS*.Hα-helixtrans-72.5-37.2176.6-57.5-44.8000111.4P5 G6 L12P5-Y8 HydrophobicContact CB-CD2 3.59Å; P5-Y8 HydrophobicContact CB-CE2 4Å; P5-Y8 HydrophobicContact CG-CD2 3.59Å; P5-Y8 HydrophobicContact CG-CE2 3.87Å; P5-Y8 WeakPolarHBondContact O-CA 3.2Å; P5-Y8 WeakPolarHBondContact O-CB 3.29Å; P5-Y8 PolarHBondContact O-N 2.94Å; G6-Y8 VanDerWaalsContact C-N 3.32Å; G6-Y8 PolarHBondContact O-N 2.8Å; Y8-L12 VanDerWaalsContact O-CB 3.32Å; Y8-L12 WeakPolarHBondContact O-CB 3.49Å; Y8-L12 PolarHBondContact O-N 2.73Å
9Y93.9Very high93Very high34 Ų3480.3 Ų80.313%0.13341%0.408CS..Hα-helixtrans-61-49.7174.2177.5-95.8000111.7I1 R2 P5 G6 T11 L12 K13 F77I1-Y9 HydrophobicContact CD1-CE2 4.21Å; I1-Y9 HydrophobicContact CG1-CE2 4.48Å; R2-Y9 HydrophobicContact CG-CE2 4.46Å; P5-Y9 PolarHBondContact O-N 2.91Å; G6-Y9 WeakPolarHBondContact O-CB 3.5Å; G6-Y9 PolarHBondContact O-N 3.06Å; Y9-T11 VanDerWaalsContact C-N 3.34Å; Y9-T11 PolarHBondContact O-N 3.33Å; Y9-L12 PolarHBondContact O-N 3.46Å; Y9-K13 HydrophobicContact CE1-CD 4.2Å; Y9-K13 WeakPolarHBondContact O-CB 3.43Å; Y9-K13 PolarHBondContact O-N 3.24Å; Y9-F77 HydrophobicContact CD2-CE1 4.19Å; Y9-F77 HydrophobicContact CE1-CD1 4.37Å; Y9-F77 AromaticContact CE2-CD1 3.67Å; Y9-F77 HydrophobicContact CE2-CD1 3.67Å; Y9-F77 AromaticContact CE2-CE1 3.72Å; Y9-F77 HydrophobicContact CE2-CE1 3.72Å; Y9-F77 AromaticContact CZ-CD1 3.61Å
10E93.6Very high93.3Very high111 Ų11178.2 Ų78.252%0.51940%0.396SS..Hα-helixtrans-62-41.6179.4-68.5-54.2146.300112.3G6 L12 K13 F14G6-E10 WeakPolarHBondContact O-CG 3.47Å; G6-E10 PolarHBondContact O-N 3.07Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.43Å; E10-K13 PolarHBondContact O-N 3.18Å; E10-F14 WeakPolarHBondContact O-CB 2.94Å; E10-F14 PolarHBondContact O-N 3.18Å
11T95.9Very high93.5Very high94 Ų9477.8 Ų77.858%0.57740%0.398SS*.Hα-helixtrans-62-44.5176.4-55.90000111H7 Y9 L15H7-T11 WeakPolarHBondContact O-CB 3.4Å; H7-T11 PolarHBondContact O-N 2.79Å; H7-T11 VanDerWaalsContact O-N 3.15Å; H7-T11 PolarHBondContact O-OG1 2.84Å; Y9-T11 VanDerWaalsContact C-N 3.34Å; Y9-T11 PolarHBondContact O-N 3.33Å; T11-L15 WeakPolarHBondContact O-CB 3.39Å; T11-L15 PolarHBondContact O-N 3.36Å
12L95Very high94.3Very high29 Ų2977 Ų7715%0.15239%0.394CS..Hα-helixtrans-66.9-42.4178.7-173.467.5000111.4L4 Y8 Y9 E10 L15 V16 L44 F77L4-L12 HydrophobicContact CD2-CD2 4.3Å; Y8-L12 VanDerWaalsContact O-CB 3.32Å; Y8-L12 WeakPolarHBondContact O-CB 3.49Å; Y8-L12 PolarHBondContact O-N 2.73Å; Y9-L12 PolarHBondContact O-N 3.46Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.43Å; L12-L15 PolarHBondContact O-N 3.15Å; L12-V16 HydrophobicContact CD1-CG2 3.84Å; L12-V16 HydrophobicContact CG-CG2 4.09Å; L12-V16 VanDerWaalsContact O-CB 3.31Å; L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.25Å; L12-V16 PolarHBondContact O-N 3.32Å; L12-L44 HydrophobicContact CD1-CD2 4.38Å; L12-F77 HydrophobicContact CD2-CZ 4.33Å; L12-F77 HydrophobicContact CG-CZ 4.14Å
13K94.8Very high95Very high58 Ų5871.7 Ų71.725%0.25238%0.375SS..Hα-helixtrans-56.6-50.7175.4178.5169.5177.7166.60110.8Y9 E10 G17 F77 D79Y9-K13 HydrophobicContact CE1-CD 4.2Å; Y9-K13 WeakPolarHBondContact O-CB 3.43Å; Y9-K13 PolarHBondContact O-N 3.24Å; E10-K13 PolarHBondContact O-N 3.18Å; K13-G17 PolarHBondContact O-N 2.61Å; K13-F77 HydrophobicContact CB-CD1 3.52Å; K13-F77 HydrophobicContact CB-CE1 3.69Å; K13-F77 HydrophobicContact CB-CG 4.04Å; K13-F77 HydrophobicContact CB-CZ 4.35Å; K13-F77 HydrophobicContact CD-CB 3.94Å; K13-F77 HydrophobicContact CD-CD1 4.02Å; K13-F77 HydrophobicContact CD-CG 4.22Å; K13-F77 HydrophobicContact CG-CB 3.88Å; K13-F77 HydrophobicContact CG-CD1 3.7Å; K13-F77 HydrophobicContact CG-CD2 4.46Å; K13-F77 HydrophobicContact CG-CE1 4.36Å; K13-F77 HydrophobicContact CG-CG 3.77Å; K13-F77 PolarHBondContact NZ-O 2.71Å; K13-D79 IonicContact NZ-OD1 3.07Å; K13-D79 PolarHBondContact NZ-OD1 3.39Å
14F96.3Very high95.4Very high165 Ų16569.4 Ų69.472%0.72436%0.363SS*.Hα-helixtrans-60.7-49.4178.3177.7-98.2000112E10 G17 H18E10-F14 WeakPolarHBondContact O-CB 2.94Å; E10-F14 PolarHBondContact O-N 3.18Å; F14-G17 PolarHBondContact O-N 2.56Å; F14-H18 PolarHBondContact O-N 2.94Å
15L97Very high95.8Very high44 Ų4471 Ų7123%0.2337%0.369CS..Hα-helixtrans-62.1-51.8-179177.364.3000111.6T11 L12 G17 H18 L19 F40 L44T11-L15 WeakPolarHBondContact O-CB 3.39Å; T11-L15 PolarHBondContact O-N 3.36Å; L12-L15 PolarHBondContact O-N 3.15Å; L15-G17 VanDerWaalsContact C-N 3.31Å; L15-G17 PolarHBondContact O-N 2.98Å; L15-H18 WeakPolarHBondContact O-CB 3.46Å; L15-H18 PolarHBondContact O-N 3.01Å; L15-H18 VanDerWaalsContact O-N 3.12Å; L15-L19 HydrophobicContact CD1-CG 4.38Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 HydrophobicContact CG-CG 4.49Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.12Å; L15-F40 HydrophobicContact CD1-CE1 4.34Å; L15-L44 HydrophobicContact CD2-CD1 4.1Å; L15-L44 HydrophobicContact CD2-CD2 3.6Å; L15-L44 HydrophobicContact CD2-CG 4.38Å
16V96.7Very high96Very high0 Ų067.9 Ų67.90%035%0.348CS..Hα-helixtrans-64-37.7-177.5174.90000110.9L12 H18 L19 K20 L69 F77L12-V16 HydrophobicContact CD1-CG2 3.84Å; L12-V16 HydrophobicContact CG-CG2 4.09Å; L12-V16 VanDerWaalsContact O-CB 3.31Å; L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.25Å; L12-V16 PolarHBondContact O-N 3.32Å; V16-H18 VanDerWaalsContact C-N 3.33Å; V16-H18 PolarHBondContact O-N 2.63Å; V16-L19 PolarHBondContact O-N 3.41Å; V16-K20 PolarHBondContact O-N 2.98Å; V16-L69 HydrophobicContact CG1-CB 4.17Å; V16-L69 WeakPolarHBondContact CG1-O 3.48Å; V16-L69 HydrophobicContact CG2-CB 4.38Å; V16-F77 HydrophobicContact CB-CE2 3.91Å; V16-F77 HydrophobicContact CB-CZ 4.47Å; V16-F77 HydrophobicContact CG1-CE2 3.92Å; V16-F77 HydrophobicContact CG2-CE2 4.38Å
17G96.9Very high96.3Very high28 Ų2873.3 Ų73.329%0.28936%0.36SS..Hα-helixtrans-61.4-39.3173.100000113K13 F14 L15 K20 T21K13-G17 PolarHBondContact O-N 2.61Å; F14-G17 PolarHBondContact O-N 2.56Å; L15-G17 VanDerWaalsContact C-N 3.31Å; L15-G17 PolarHBondContact O-N 2.98Å; G17-K20 PolarHBondContact O-N 3.49Å; G17-T21 PolarHBondContact O-N 2.73Å; G17-T21 VanDerWaalsContact O-N 3.09Å; G17-T21 PolarHBondContact O-OG1 3.2Å
18H97.6Very high96.4Very high102 Ų10274.1 Ų74.147%0.47236%0.361SS..Hα-helixtrans-66.3-43.6173.5-174.161.6000112.1F14 L15 V16 K20 T21 I22F14-H18 PolarHBondContact O-N 2.94Å; L15-H18 WeakPolarHBondContact O-CB 3.46Å; L15-H18 PolarHBondContact O-N 3.01Å; L15-H18 VanDerWaalsContact O-N 3.12Å; V16-H18 VanDerWaalsContact C-N 3.33Å; V16-H18 PolarHBondContact O-N 2.63Å; H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact O-N 3.09Å; H18-T21 WeakPolarHBondContact O-CB 3.31Å; H18-T21 PolarHBondContact O-N 3.09Å; H18-T21 VanDerWaalsContact O-N 3.11Å; H18-I22 WeakPolarHBondContact O-CG1 3.5Å; H18-I22 PolarHBondContact O-N 3.3Å
19L97.7Very high96.6Very high1 Ų169.8 Ų69.81%0.00535%0.349CS..Hα-helixtrans-61.9-38.4177.1-64.9-178.7000112.1L15 V16 I22 A23 L36 F40 I70L15-L19 HydrophobicContact CD1-CG 4.38Å; L15-L19 HydrophobicContact CG-CD1 4.29Å; L15-L19 HydrophobicContact CG-CG 4.49Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.12Å; V16-L19 PolarHBondContact O-N 3.41Å; L19-I22 HydrophobicContact CD2-CD1 4.31Å; L19-I22 PolarHBondContact O-N 3.41Å; L19-A23 PolarHBondContact O-N 3.01Å; L19-L36 HydrophobicContact CB-CD1 4.43Å; L19-L36 HydrophobicContact CD2-CD2 4.3Å; L19-L36 WeakPolarHBondContact O-CD1 3.46Å; L19-F40 HydrophobicContact CD1-CB 4.39Å; L19-F40 HydrophobicContact CD1-CD1 4.45Å; L19-F40 HydrophobicContact CD1-CD2 3.94Å; L19-F40 HydrophobicContact CD1-CE2 4.36Å; L19-F40 HydrophobicContact CD1-CG 4Å; L19-F40 HydrophobicContact CD2-CD2 3.75Å; L19-F40 HydrophobicContact CD2-CE1 4.46Å; L19-F40 HydrophobicContact CD2-CE2 3.36Å; L19-F40 HydrophobicContact CD2-CG 4.46Å; L19-F40 HydrophobicContact CD2-CZ 3.77Å; L19-I70 HydrophobicContact CB-CD1 3.99Å; L19-I70 HydrophobicContact CB-CG1 3.89Å; L19-I70 HydrophobicContact CD1-CD1 3.95Å; L19-I70 HydrophobicContact CD1-CG1 4.21Å
20K97.6Very high96.8Very high37 Ų3775.1 Ų75.116%0.16137%0.372CS..Hα-helixtrans-59.4-47.7171.1172.2170.5178.6164.60111.5V16 G17 H18 I22 A23 D24 I70 S73 D74V16-K20 PolarHBondContact O-N 2.98Å; G17-K20 PolarHBondContact O-N 3.49Å; H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact O-N 3.09Å; K20-I22 PolarHBondContact O-N 3.08Å; K20-A23 CarbonylContact O-C 3.55Å; K20-A23 WeakPolarHBondContact O-CA 3.32Å; K20-A23 WeakPolarHBondContact O-CB 3.24Å; K20-A23 PolarHBondContact O-N 3.11Å; K20-D24 VanDerWaalsContact O-CG 3.31Å; K20-D24 PolarHBondContact O-N 3.48Å; K20-I70 HydrophobicContact CB-CG2 4.46Å; K20-S73 WeakPolarHBondContact CD-OG 3.47Å; K20-D74 IonicContact NZ-OD1 2.63Å; K20-D74 PolarHBondContact NZ-OD1 3.46Å; K20-D74 IonicContact NZ-OD2 3.87Å; K20-D74 PolarHBondContact NZ-OD2 2.9Å
21T97.7Very high96.9Very high71 Ų7172.9 Ų72.944%0.43636%0.363SS..Hα-helixtrans-57.6-39.1178.1-54.30000111.2G17 H18 H25G17-T21 PolarHBondContact O-N 2.73Å; G17-T21 VanDerWaalsContact O-N 3.09Å; G17-T21 PolarHBondContact O-OG1 3.2Å; H18-T21 WeakPolarHBondContact O-CB 3.31Å; H18-T21 PolarHBondContact O-N 3.09Å; H18-T21 VanDerWaalsContact O-N 3.11Å; T21-H25 PolarHBondContact O-ND1 3.14Å
22I97.9Very high97Very high44 Ų4473 Ų7323%0.22636%0.357CS..Hα-helixtrans-63.5-46.3174.3-63.8170.6000110.7H18 L19 K20 D24 H25 N29 M31 L36H18-I22 WeakPolarHBondContact O-CG1 3.5Å; H18-I22 PolarHBondContact O-N 3.3Å; L19-I22 HydrophobicContact CD2-CD1 4.31Å; L19-I22 PolarHBondContact O-N 3.41Å; K20-I22 PolarHBondContact O-N 3.08Å; I22-D24 PolarHBondContact O-N 3.03Å; I22-H25 PolarHBondContact O-N 2.98Å; I22-H25 VanDerWaalsContact O-N 3.14Å; I22-N29 PolarHBondContact O-ND2 2.88Å; I22-M31 HydrophobicContact CG2-CB 3.87Å; I22-M31 HydrophobicContact CG2-CG 4.44Å; I22-L36 HydrophobicContact CB-CD1 4.15Å; I22-L36 HydrophobicContact CG2-CD1 4.02Å; I22-L36 HydrophobicContact CG2-CD2 4.03Å
23A97.2Very high97Very high8 Ų872.6 Ų72.67%0.06636%0.356CS..Hα-helixtrans-63.1-37.5179.400000113.1L19 K20 H25 S26 P33 L36 I70L19-A23 PolarHBondContact O-N 3.01Å; K20-A23 CarbonylContact O-C 3.55Å; K20-A23 WeakPolarHBondContact O-CA 3.32Å; K20-A23 WeakPolarHBondContact O-CB 3.24Å; K20-A23 PolarHBondContact O-N 3.11Å; A23-H25 PolarHBondContact O-N 2.83Å; A23-H25 VanDerWaalsContact O-N 3.14Å; A23-S26 WeakPolarHBondContact O-CB 3.34Å; A23-S26 PolarHBondContact O-N 3.48Å; A23-S26 PolarHBondContact O-OG 3.37Å; A23-P33 HydrophobicContact CB-CG 3.86Å; A23-L36 HydrophobicContact CB-CD1 4.05Å; A23-I70 HydrophobicContact CB-CG2 4.15Å
24D97.2Very high97Very high111 Ų11176.2 Ų76.259%0.59437%0.368SS*.Hα-helixtrans-63.9-19.3176.7-66.3-22.2000112.3K20 I22K20-D24 VanDerWaalsContact O-CG 3.31Å; K20-D24 PolarHBondContact O-N 3.48Å; I22-D24 PolarHBondContact O-N 3.03Å
25H97.8Very high97Very high102 Ų10271.3 Ų71.347%0.47235%0.349SS..THydrogen-bonded Turntrans-101.119174.6-62.888.2000113T21 I22 A23 E27 K28 N29T21-H25 PolarHBondContact O-ND1 3.14Å; I22-H25 PolarHBondContact O-N 2.98Å; I22-H25 VanDerWaalsContact O-N 3.14Å; A23-H25 PolarHBondContact O-N 2.83Å; A23-H25 VanDerWaalsContact O-N 3.14Å; H25-E27 PolarHBondContact O-N 3.14Å; H25-E27 VanDerWaalsContact O-N 3.17Å; H25-K28 PolarHBondContact O-N 3.5Å; H25-N29 VanDerWaalsContact O-CG 3.31Å; H25-N29 PolarHBondContact O-N 3.35Å; H25-N29 VanDerWaalsContact O-N 3.09Å; H25-N29 PolarHBondContact O-ND2 2.78Å; H25-N29 PolarHBondContact O-OD1 3.15Å
26S97.4Very high96.9Very high16 Ų1669.5 Ų69.511%0.11234%0.34CS..Hα-helixtrans-57.6-31.3-174.772.20000113.7A23 K28 N29 K30 E32A23-S26 WeakPolarHBondContact O-CB 3.34Å; A23-S26 PolarHBondContact O-N 3.48Å; A23-S26 PolarHBondContact O-OG 3.37Å; S26-K28 PolarHBondContact O-N 3Å; S26-K28 VanDerWaalsContact O-N 3.15Å; S26-N29 VanDerWaalsContact CA-OD1 3.29Å; S26-N29 WeakPolarHBondContact CA-OD1 3.45Å; S26-K30 WeakPolarHBondContact O-CA 3.44Å; S26-K30 PolarHBondContact O-N 3.21Å; S26-E32 WeakPolarHBondContact CB-OE1 3.16Å; S26-E32 PolarHBondContact OG-OE1 3.5Å
27E96.8Very high96.8Very high166 Ų16669.5 Ų69.578%0.77634%0.34SS*.Hα-helixtrans-55.7-35.4176.8-65.1-172.8169.800112.5H25 K30H25-E27 PolarHBondContact O-N 3.14Å; H25-E27 VanDerWaalsContact O-N 3.17Å; E27-K30 PolarHBondContact O-NZ 3.06Å
28K97.3Very high96.6Very high181 Ų18171.8 Ų71.879%0.78735%0.345SS*.Hα-helixtrans-94.9-48.8-178.7-65.7179.9-177.6173.10112.6H25 S26H25-K28 PolarHBondContact O-N 3.5Å; S26-K28 PolarHBondContact O-N 3Å; S26-K28 VanDerWaalsContact O-N 3.15Å
29N96.9Very high96.3Very high64 Ų6471.3 Ų71.334%0.34235%0.349SS..Hα-helixtrans-89.3-8.9-173.567.626.1000113.8I22 H25 S26 M31I22-N29 PolarHBondContact O-ND2 2.88Å; H25-N29 VanDerWaalsContact O-CG 3.31Å; H25-N29 PolarHBondContact O-N 3.35Å; H25-N29 VanDerWaalsContact O-N 3.09Å; H25-N29 PolarHBondContact O-ND2 2.78Å; H25-N29 PolarHBondContact O-OD1 3.15Å; S26-N29 VanDerWaalsContact CA-OD1 3.29Å; S26-N29 WeakPolarHBondContact CA-OD1 3.45Å; N29-M31 PolarHBondContact O-N 3.41Å; N29-M31 WeakPolarHBondContact OD1-CB 3.09Å; N29-M31 PolarHBondContact OD1-N 3.12Å
30K97Very high96.1Very high145 Ų14574.2 Ų74.263%0.6336%0.362SS*.  trans61.618.7-178.5-51.1-54.2-174.2-168.10114.7S26 E27 N35S26-K30 WeakPolarHBondContact O-CA 3.44Å; S26-K30 PolarHBondContact O-N 3.21Å; E27-K30 PolarHBondContact O-NZ 3.06Å; K30-N35 PolarHBondContact O-ND2 3.38Å
31M97.3Very high95.7Very high64 Ų6472.6 Ų72.632%0.31536%0.355SS..  trans-99.585.9177.7-65.3-62.6-67.600110.3I22 N29 N35 L36I22-M31 HydrophobicContact CG2-CB 3.87Å; I22-M31 HydrophobicContact CG2-CG 4.44Å; N29-M31 PolarHBondContact O-N 3.41Å; N29-M31 WeakPolarHBondContact OD1-CB 3.09Å; N29-M31 PolarHBondContact OD1-N 3.12Å; M31-N35 HydrophobicContact CE-CB 4.14Å; M31-N35 HydrophobicContact SD-CB 4.38Å; M31-L36 HydrophobicContact CB-CD2 4.24Å; M31-L36 HydrophobicContact CB-CG 4.35Å; M31-L36 HydrophobicContact CE-CD2 3.39Å; M31-L36 HydrophobicContact CE-CG 4.05Å
32E96.7Very high95.1Very high97 Ų9772.3 Ų72.345%0.45336%0.355SS..  trans-65.8154.9168.6-69.1-66.713500111.1S26 R34 N35 L36S26-E32 WeakPolarHBondContact CB-OE1 3.16Å; S26-E32 PolarHBondContact OG-OE1 3.5Å; E32-R34 PolarHBondContact O-N 2.81Å; E32-N35 WeakPolarHBondContact O-CB 3.33Å; E32-N35 PolarHBondContact O-N 2.85Å; E32-L36 PolarHBondContact O-N 3.47Å
33P95.6Very high94.7Very high20 Ų2074.3 Ų74.313%0.1337%0.369CS..Hα-helixtrans-48.3-39.4177.1-26.130.1000113.4A23 N35 L36 A37 E67 I70 Q71A23-P33 HydrophobicContact CB-CG 3.86Å; P33-N35 PolarHBondContact O-N 2.96Å; P33-L36 PolarHBondContact O-N 3.38Å; P33-A37 WeakPolarHBondContact O-CB 3.47Å; P33-A37 PolarHBondContact O-N 2.96Å; P33-E67 HydrophobicContact CB-CG 4.35Å; P33-I70 HydrophobicContact CB-CG2 4.18Å; P33-Q71 HydrophobicContact CB-CG 4.08Å; P33-Q71 HydrophobicContact CG-CG 4.22Å
34R94.9Very high94.2Very high135 Ų13576.7 Ų76.751%0.50938%0.381SS..Hα-helixtrans-60.2-42.4176.6-172.3173.6176.1-112.7-0.5113E32 L36 A37 L38 E67E32-R34 PolarHBondContact O-N 2.81Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-A37 PolarHBondContact O-N 3.48Å; R34-L38 WeakPolarHBondContact O-CG 3.38Å; R34-L38 PolarHBondContact O-N 3.07Å; R34-E67 WeakPolarHBondContact CB-OE1 3.41Å
35N95.2Very high93.6Very high62 Ų6273 Ų7333%0.33236%0.362SS..Hα-helixtrans-66.9-40.5179.9-67.4-11.8000110.7K30 M31 E32 P33 L38 V39K30-N35 PolarHBondContact O-ND2 3.38Å; M31-N35 HydrophobicContact CE-CB 4.14Å; M31-N35 HydrophobicContact SD-CB 4.38Å; E32-N35 WeakPolarHBondContact O-CB 3.33Å; E32-N35 PolarHBondContact O-N 2.85Å; P33-N35 PolarHBondContact O-N 2.96Å; N35-L38 PolarHBondContact O-N 3.41Å; N35-V39 WeakPolarHBondContact O-CG2 3.31Å; N35-V39 PolarHBondContact O-N 2.89Å
36L96.2Very high92.8Very high5 Ų578 Ų783%0.02638%0.377CS..Hα-helixtrans-63.6-43.7174.2-63170.1000110.9L19 I22 A23 M31 E32 P33 R34 L38 V39 F40 I70L19-L36 HydrophobicContact CB-CD1 4.43Å; L19-L36 HydrophobicContact CD2-CD2 4.3Å; L19-L36 WeakPolarHBondContact O-CD1 3.46Å; I22-L36 HydrophobicContact CB-CD1 4.15Å; I22-L36 HydrophobicContact CG2-CD1 4.02Å; I22-L36 HydrophobicContact CG2-CD2 4.03Å; A23-L36 HydrophobicContact CB-CD1 4.05Å; M31-L36 HydrophobicContact CB-CD2 4.24Å; M31-L36 HydrophobicContact CB-CG 4.35Å; M31-L36 HydrophobicContact CE-CD2 3.39Å; M31-L36 HydrophobicContact CE-CG 4.05Å; E32-L36 PolarHBondContact O-N 3.47Å; P33-L36 PolarHBondContact O-N 3.38Å; R34-L36 VanDerWaalsContact C-N 3.34Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.21Å; L36-V39 PolarHBondContact O-N 2.98Å; L36-V39 VanDerWaalsContact O-N 3.16Å; L36-F40 HydrophobicContact CD2-CE2 4.47Å; L36-F40 WeakPolarHBondContact O-CB 3.29Å; L36-F40 VanDerWaalsContact O-CD2 3.32Å; L36-F40 WeakPolarHBondContact O-CD2 3.34Å; L36-F40 PolarHBondContact O-N 3.25Å; L36-I70 HydrophobicContact CB-CD1 3.85Å
37A94.3Very high91.4Very high0 Ų080.3 Ų80.30%039%0.39CS..Hα-helixtrans-62.5-33.717800000113.5P33 R34 G41 Y63 V66 E67P33-A37 WeakPolarHBondContact O-CB 3.47Å; P33-A37 PolarHBondContact O-N 2.96Å; R34-A37 PolarHBondContact O-N 3.48Å; A37-G41 WeakPolarHBondContact O-CA 3.16Å; A37-G41 PolarHBondContact O-N 3.45Å; A37-Y63 WeakPolarHBondContact CB-O 3.33Å; A37-V66 HydrophobicContact CB-CB 4.14Å; A37-V66 HydrophobicContact CB-CG1 4.19Å; A37-E67 HydrophobicContact CB-CB 3.73Å
38L92.4Very high90Very high77 Ų7778 Ų7840%0.40339%0.393SS..Hα-helixtrans-65.5-37.6174.7-71.1172.4000112.5R34 N35 L36 P42 Y63R34-L38 WeakPolarHBondContact O-CG 3.38Å; R34-L38 PolarHBondContact O-N 3.07Å; N35-L38 PolarHBondContact O-N 3.41Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.21Å; L38-P42 WeakPolarHBondContact O-CD 3.32Å; L38-Y63 HydrophobicContact CD2-CD1 3.95Å; L38-Y63 HydrophobicContact CD2-CE1 4.35Å; L38-Y63 HydrophobicContact CD2-CG 4.23Å
39V91.8Very high88.4Confident91 Ų9174.4 Ų74.455%0.55238%0.379SS*.Hα-helixtrans-78.4-44-179.8179.50000111.3N35 L36N35-V39 WeakPolarHBondContact O-CG2 3.31Å; N35-V39 PolarHBondContact O-N 2.89Å; L36-V39 PolarHBondContact O-N 2.98Å; L36-V39 VanDerWaalsContact O-N 3.16Å
40F92.3Very high86.8Confident62 Ų6278.5 Ų78.527%0.27240%0.401SS..Hα-helixtrans-88.4-20.2-175-73.7-81.1000113.8L15 L19 L36 T43 L44 V66L15-F40 HydrophobicContact CD1-CE1 4.34Å; L19-F40 HydrophobicContact CD1-CB 4.39Å; L19-F40 HydrophobicContact CD1-CD1 4.45Å; L19-F40 HydrophobicContact CD1-CD2 3.94Å; L19-F40 HydrophobicContact CD1-CE2 4.36Å; L19-F40 HydrophobicContact CD1-CG 4Å; L19-F40 HydrophobicContact CD2-CD2 3.75Å; L19-F40 HydrophobicContact CD2-CE1 4.46Å; L19-F40 HydrophobicContact CD2-CE2 3.36Å; L19-F40 HydrophobicContact CD2-CG 4.46Å; L19-F40 HydrophobicContact CD2-CZ 3.77Å; L36-F40 HydrophobicContact CD2-CE2 4.47Å; L36-F40 WeakPolarHBondContact O-CB 3.29Å; L36-F40 VanDerWaalsContact O-CD2 3.32Å; L36-F40 WeakPolarHBondContact O-CD2 3.34Å; L36-F40 PolarHBondContact O-N 3.25Å; F40-T43 PolarHBondContact O-N 2.94Å; F40-L44 HydrophobicContact CB-CD1 3.98Å; F40-L44 HydrophobicContact CB-CG 4.4Å; F40-L44 WeakPolarHBondContact O-CB 3.4Å; F40-L44 WeakPolarHBondContact O-CG 3.1Å; F40-L44 PolarHBondContact O-N 3.41Å; F40-V66 HydrophobicContact CB-CG1 4.24Å
41G89.6Confident85.5Confident3 Ų375.7 Ų75.73%0.03139%0.392CS..Hα-helixtrans-48.5-55.4177.800000114.1A37 T43 L44 V45A37-G41 WeakPolarHBondContact O-CA 3.16Å; A37-G41 PolarHBondContact O-N 3.45Å; G41-T43 PolarHBondContact O-N 3.12Å; G41-L44 PolarHBondContact O-N 2.95Å; G41-V45 PolarHBondContact O-N 3.27Å
42P85.9Confident84.1Confident65 Ų6580.2 Ų80.242%0.42242%0.415SS..Hα-helixtrans-61.8-29.4178.1-23.533.5000114L38 M59L38-P42 WeakPolarHBondContact O-CD 3.32Å; P42-M59 HydrophobicContact CG-CE 3.76Å
43T88.4Confident82.7Confident86 Ų8680.5 Ų80.553%0.52842%0.423SS..Hα-helixtrans-82.9-38.7-175.2-550000111.4F40 G41F40-T43 PolarHBondContact O-N 2.94Å; G41-T43 PolarHBondContact O-N 3.12Å
44L87Confident81.4Confident59 Ų5981.4 Ų81.431%0.30943%0.427SS..Hα-helixtrans-89.7-30.6-175.7-64178.2000113.6L12 L15 F40 G41 V66L12-L44 HydrophobicContact CD1-CD2 4.38Å; L15-L44 HydrophobicContact CD2-CD1 4.1Å; L15-L44 HydrophobicContact CD2-CD2 3.6Å; L15-L44 HydrophobicContact CD2-CG 4.38Å; F40-L44 HydrophobicContact CB-CD1 3.98Å; F40-L44 HydrophobicContact CB-CG 4.4Å; F40-L44 WeakPolarHBondContact O-CB 3.4Å; F40-L44 WeakPolarHBondContact O-CG 3.1Å; F40-L44 PolarHBondContact O-N 3.41Å; G41-L44 PolarHBondContact O-N 2.95Å; L44-V66 HydrophobicContact CB-CG2 4.16Å; L44-V66 HydrophobicContact CD1-CG1 4.03Å; L44-V66 HydrophobicContact CD1-CG2 4.2Å
45V84.3Confident80Confident34 Ų3479.9 Ų79.921%0.20643%0.427CS..  trans-120.185.9-176-171.90000110G41 R62 I65 V66G41-V45 PolarHBondContact O-N 3.27Å; V45-R62 HydrophobicContact CB-CB 4.39Å; V45-R62 HydrophobicContact CG1-CB 4.28Å; V45-R62 HydrophobicContact CG1-CG 3.95Å; V45-R62 PolarHBondContact O-NH1 3.01Å; V45-I65 HydrophobicContact CG1-CD1 4.3Å; V45-I65 HydrophobicContact CG2-CB 4.48Å; V45-I65 HydrophobicContact CG2-CG2 4.3Å; V45-V66 HydrophobicContact CG2-CG2 3.91Å
46R80.9Confident78.6Confident206 Ų20682.3 Ų82.378%0.77744%0.443SS*.  trans-89.5139.9174.5-62.5-175.4-178.5-167.1-1.5110.4
47T69.3Low77.3Confident64 Ų6485.7 Ų85.739%0.39347%0.465SS..  trans-102.9155.6161.241.60000109.3E49 R62T47-E49 PolarHBondContact O-N 3.24Å; T47-R62 VanDerWaalsContact N-NH1 3.16Å; T47-R62 PolarHBondContact OG1-NH1 2.94Å; T47-R62 PolarHBondContact OG1-NH2 2.67Å
48S67.6Low76.1Confident119 Ų11990 Ų9083%0.83248%0.484SS*.SBendtrans-69.2-9.5172.442.20000114
49E63.3Low75Confident105 Ų10589.8 Ų89.849%0.49148%0.483SS..  trans-106110.6-170.1-50.9-172.7-142.800110.1T47 N51T47-E49 PolarHBondContact O-N 3.24Å; E49-N51 PolarHBondContact O-N 3.26Å
50D62.9Low74.2Confident150 Ų15087.7 Ų87.780%0.80247%0.47SS*.  trans-8633.8175.2-70.7-32.1000111.7
51N70.6Confident73.4Confident85 Ų8588.8 Ų88.846%0.45548%0.479SS..  trans-82.2119.8176-64.7-28.6000109.1E49 T53 D54 M55E49-N51 PolarHBondContact O-N 3.26Å; N51-T53 PolarHBondContact O-N 3.02Å; N51-D54 HydrophobicContact CB-CB 4.27Å; N51-D54 WeakPolarHBondContact CB-OD2 3.18Å; N51-D54 PolarHBondContact ND2-OD2 3.48Å; N51-D54 VanDerWaalsContact ND2-OD2 3.15Å; N51-D54 PolarHBondContact O-N 3.48Å; N51-M55 PolarHBondContact O-N 3.49Å; N51-M55 VanDerWaalsContact O-N 3.16Å
52M67Low72.7Confident159 Ų15990.2 Ų90.278%0.78348%0.484SS*.Hα-helixtrans-53.8-31.5178.5-74-176.7-77.200113.1V56M52-V56 WeakPolarHBondContact O-CG2 3.46Å; M52-V56 PolarHBondContact O-N 2.96Å
53T67.1Low72.7Confident104 Ų10489.6 Ų89.664%0.63847%0.474SS*.Hα-helixtrans-65.9-46.7176.8-49.40000111.7N51 M55 V56 T57N51-T53 PolarHBondContact O-N 3.02Å; T53-M55 VanDerWaalsContact C-N 3.28Å; T53-M55 PolarHBondContact O-N 3.02Å; T53-V56 PolarHBondContact O-N 3.25Å; T53-T57 PolarHBondContact O-N 2.83Å; T53-T57 PolarHBondContact O-OG1 3.33Å
54D68.1Low72.8Confident38 Ų3891 Ų9120%0.20347%0.472CS..Hα-helixtrans-67.9-30.7-179.3-68.1-35.1000112.5N51 V56 T57 H58N51-D54 HydrophobicContact CB-CB 4.27Å; N51-D54 WeakPolarHBondContact CB-OD2 3.18Å; N51-D54 PolarHBondContact ND2-OD2 3.48Å; N51-D54 VanDerWaalsContact ND2-OD2 3.15Å; N51-D54 PolarHBondContact O-N 3.48Å; D54-V56 PolarHBondContact O-N 3.45Å; D54-T57 WeakPolarHBondContact CA-OG1 3.5Å; D54-H58 WeakPolarHBondContact O-CB 3.32Å; D54-H58 PolarHBondContact O-N 2.83Å; D54-H58 VanDerWaalsContact O-N 3.12Å; D54-H58 IonicContact OD1-CD2 3.24Å
55M65.8Low73Confident104 Ų10492.4 Ų92.451%0.51248%0.479SS..Hα-helixtrans-63.1-28.6172.3-67-177.467.900112.4N51 T53 M59N51-M55 PolarHBondContact O-N 3.49Å; N51-M55 VanDerWaalsContact O-N 3.16Å; T53-M55 VanDerWaalsContact C-N 3.28Å; T53-M55 PolarHBondContact O-N 3.02Å; M55-M59 WeakPolarHBondContact O-CB 3.49Å; M55-M59 WeakPolarHBondContact O-CG 3.45Å
56V65.1Low73.4Confident112 Ų11290.8 Ų90.868%0.67947%0.469SS*.Hα-helixtrans-92.4-41.7-178.1175.40000111.4M52 T53 D54M52-V56 WeakPolarHBondContact O-CG2 3.46Å; M52-V56 PolarHBondContact O-N 2.96Å; T53-V56 PolarHBondContact O-N 3.25Å; D54-V56 PolarHBondContact O-N 3.45Å
57T69.4Low74.1Confident77 Ų7782.7 Ų82.747%0.47244%0.44SS..Hα-helixtrans-75.1-36-177.439.40000113.5T53 D54T53-T57 PolarHBondContact O-N 2.83Å; T53-T57 PolarHBondContact O-OG1 3.33Å; D54-T57 WeakPolarHBondContact CA-OG1 3.5Å
58H68.7Low75.3Confident89 Ų8982.4 Ų82.441%0.41244%0.438SS..SBendtrans-106.1-5.5-174.4-62.2-64.2000114.3D54 P60 D61 R62D54-H58 WeakPolarHBondContact O-CB 3.32Å; D54-H58 PolarHBondContact O-N 2.83Å; D54-H58 VanDerWaalsContact O-N 3.12Å; D54-H58 IonicContact OD1-CD2 3.24Å; H58-P60 VanDerWaalsContact C-CD 3.43Å; H58-P60 VanDerWaalsContact C-N 3.28Å; H58-D61 PolarHBondContact O-N 3.47Å; H58-R62 WeakPolarHBondContact O-CG 3.4Å; H58-R62 PolarHBondContact O-N 3.03Å
59M70.3Confident76.7Confident74 Ų7477.5 Ų77.537%0.36540%0.403SS..Hα-helixtrans-50.8-43.6171-118.4-87.1-179.100113P42 M55 D61 R62 Y63P42-M59 HydrophobicContact CG-CE 3.76Å; M55-M59 WeakPolarHBondContact O-CB 3.49Å; M55-M59 WeakPolarHBondContact O-CG 3.45Å; M59-D61 PolarHBondContact O-N 2.97Å; M59-R62 PolarHBondContact O-N 3.15Å; M59-R62 VanDerWaalsContact O-N 3.11Å; M59-Y63 WeakPolarHBondContact O-CD1 3.48Å; M59-Y63 PolarHBondContact O-N 2.81Å; M59-Y63 HydrophobicContact SD-CD1 4.48Å
60P74.5Confident78.2Confident46 Ų4672.6 Ų72.630%0.29938%0.38SS..Hα-helixtrans-50.9-40.9176.9-31.239000115.7H58 Y63H58-P60 VanDerWaalsContact C-CD 3.43Å; H58-P60 VanDerWaalsContact C-N 3.28Å; P60-Y63 WeakPolarHBondContact CA-OH 3.41Å; P60-Y63 HydrophobicContact CB-CE1 4.21Å; P60-Y63 WeakPolarHBondContact O-CD2 3.45Å; P60-Y63 WeakPolarHBondContact O-CE2 3.37Å; P60-Y63 VanDerWaalsContact O-CZ 3.26Å
61D76.4Confident79.8Confident86 Ų8670 Ų7046%0.4636%0.363SS..Hα-helixtrans-80.7-27.7-176.7-59.7-34.2000111.5H58 M59 K64 I65H58-D61 PolarHBondContact O-N 3.47Å; M59-D61 PolarHBondContact O-N 2.97Å; D61-K64 WeakPolarHBondContact O-CB 3.44Å; D61-K64 PolarHBondContact O-N 3.43Å; D61-I65 WeakPolarHBondContact O-CG1 3.41Å; D61-I65 PolarHBondContact O-N 3.09Å
62R74.3Confident81Confident33 Ų3370.5 Ų70.513%0.12536%0.362CS..Hα-helixtrans-70-45.4-179.8-67.5173.2-164.8-123.77.4113.2V45 T47 H58 M59 K64 I65 V66V45-R62 HydrophobicContact CB-CB 4.39Å; V45-R62 HydrophobicContact CG1-CB 4.28Å; V45-R62 HydrophobicContact CG1-CG 3.95Å; V45-R62 PolarHBondContact O-NH1 3.01Å; T47-R62 VanDerWaalsContact N-NH1 3.16Å; T47-R62 PolarHBondContact OG1-NH1 2.94Å; T47-R62 PolarHBondContact OG1-NH2 2.67Å; H58-R62 WeakPolarHBondContact O-CG 3.4Å; H58-R62 PolarHBondContact O-N 3.03Å; M59-R62 PolarHBondContact O-N 3.15Å; M59-R62 VanDerWaalsContact O-N 3.11Å; R62-K64 VanDerWaalsContact C-N 3.25Å; R62-K64 PolarHBondContact O-N 3.17Å; R62-I65 PolarHBondContact O-N 2.67Å; R62-V66 PolarHBondContact O-N 3.49Å
63Y86.1Confident82.3Confident52 Ų5263.1 Ų63.120%0.20433%0.327CS..Hα-helixtrans-67.4-31.8175.459.8-112.3000110.9A37 L38 M59 P60 I65 V66 E67A37-Y63 WeakPolarHBondContact CB-O 3.33Å; L38-Y63 HydrophobicContact CD2-CD1 3.95Å; L38-Y63 HydrophobicContact CD2-CE1 4.35Å; L38-Y63 HydrophobicContact CD2-CG 4.23Å; M59-Y63 WeakPolarHBondContact O-CD1 3.48Å; M59-Y63 PolarHBondContact O-N 2.81Å; M59-Y63 HydrophobicContact SD-CD1 4.48Å; P60-Y63 WeakPolarHBondContact CA-OH 3.41Å; P60-Y63 HydrophobicContact CB-CE1 4.21Å; P60-Y63 WeakPolarHBondContact O-CD2 3.45Å; P60-Y63 WeakPolarHBondContact O-CE2 3.37Å; P60-Y63 VanDerWaalsContact O-CZ 3.26Å; Y63-I65 VanDerWaalsContact C-N 3.29Å; Y63-I65 PolarHBondContact O-N 3.44Å; Y63-V66 PolarHBondContact O-N 2.82Å; Y63-V66 VanDerWaalsContact O-N 3.15Å; Y63-E67 WeakPolarHBondContact O-CB 3.35Å; Y63-E67 PolarHBondContact O-N 3.42Å
64K89.8Confident83.5Confident114 Ų11462.9 Ų62.950%0.49632%0.321SS..Hα-helixtrans-58.9-38.9174-94.2176.1177.31720112.8D61 R62 E67 T68D61-K64 WeakPolarHBondContact O-CB 3.44Å; D61-K64 PolarHBondContact O-N 3.43Å; R62-K64 VanDerWaalsContact C-N 3.25Å; R62-K64 PolarHBondContact O-N 3.17Å; K64-E67 PolarHBondContact O-N 2.89Å; K64-T68 WeakPolarHBondContact O-CB 3.5Å; K64-T68 PolarHBondContact O-N 3.31Å; K64-T68 PolarHBondContact O-OG1 3.46Å
65I91.2Very high84.6Confident89 Ų8969.6 Ų69.646%0.45634%0.344SS..Hα-helixtrans-58.6-50.3174.9-65.2164.6000110.1V45 D61 R62 Y63 T68 L69V45-I65 HydrophobicContact CG1-CD1 4.3Å; V45-I65 HydrophobicContact CG2-CB 4.48Å; V45-I65 HydrophobicContact CG2-CG2 4.3Å; D61-I65 WeakPolarHBondContact O-CG1 3.41Å; D61-I65 PolarHBondContact O-N 3.09Å; R62-I65 PolarHBondContact O-N 2.67Å; Y63-I65 VanDerWaalsContact C-N 3.29Å; Y63-I65 PolarHBondContact O-N 3.44Å; I65-T68 PolarHBondContact O-N 3.35Å; I65-L69 HydrophobicContact CG2-CD1 4.2Å; I65-L69 WeakPolarHBondContact O-CG 3.15Å; I65-L69 PolarHBondContact O-N 3.32Å
66V93.6Very high85.8Confident0 Ų066.8 Ų66.80%033%0.329CS..Hα-helixtrans-67.8-41.2-178.3-179.60000111.7A37 F40 L44 V45 R62 Y63 T68 L69 I70A37-V66 HydrophobicContact CB-CB 4.14Å; A37-V66 HydrophobicContact CB-CG1 4.19Å; F40-V66 HydrophobicContact CB-CG1 4.24Å; L44-V66 HydrophobicContact CB-CG2 4.16Å; L44-V66 HydrophobicContact CD1-CG1 4.03Å; L44-V66 HydrophobicContact CD1-CG2 4.2Å; V45-V66 HydrophobicContact CG2-CG2 3.91Å; R62-V66 PolarHBondContact O-N 3.49Å; Y63-V66 PolarHBondContact O-N 2.82Å; Y63-V66 VanDerWaalsContact O-N 3.15Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-T68 PolarHBondContact O-N 3.48Å; V66-L69 PolarHBondContact O-N 3.24Å; V66-I70 HydrophobicContact CG1-CD1 4Å; V66-I70 VanDerWaalsContact O-CG1 3.31Å; V66-I70 WeakPolarHBondContact O-CG1 3.2Å; V66-I70 PolarHBondContact O-N 3.15Å
67E95.1Very high87Confident36 Ų3662 Ų6217%0.16830%0.299CS..Hα-helixtrans-59.1-45.3176-175.8172.5-161.200111.5P33 R34 A37 Y63 K64 L69 I70 Q71P33-E67 HydrophobicContact CB-CG 4.35Å; R34-E67 WeakPolarHBondContact CB-OE1 3.41Å; A37-E67 HydrophobicContact CB-CB 3.73Å; Y63-E67 WeakPolarHBondContact O-CB 3.35Å; Y63-E67 PolarHBondContact O-N 3.42Å; K64-E67 PolarHBondContact O-N 2.89Å; E67-L69 PolarHBondContact O-N 3.25Å; E67-I70 PolarHBondContact O-N 2.82Å; E67-Q71 WeakPolarHBondContact O-CG 3.41Å; E67-Q71 PolarHBondContact O-N 3.19Å
68T95.2Very high87.7Confident58 Ų5860.9 Ų60.936%0.35629%0.294SS..Hα-helixtrans-64.5-40.1178-52.30000111.4K64 I65 V66 I70 Q71 H72 F76K64-T68 WeakPolarHBondContact O-CB 3.5Å; K64-T68 PolarHBondContact O-N 3.31Å; K64-T68 PolarHBondContact O-OG1 3.46Å; I65-T68 PolarHBondContact O-N 3.35Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-T68 PolarHBondContact O-N 3.48Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 3.16Å; T68-Q71 PolarHBondContact O-N 3.35Å; T68-H72 PolarHBondContact O-N 3.37Å; T68-F76 HydrophobicContact CG2-CE2 4.26Å
69L95.4Very high87.8Confident16 Ų1662.2 Ų62.28%0.08430%0.304CS..Hα-helixtrans-61.9-40.7175.6-74.9171.6000111.9I1 V16 I65 V66 E67 S73 F76I1-L69 HydrophobicContact CG2-CD2 4.27Å; V16-L69 HydrophobicContact CG1-CB 4.17Å; V16-L69 WeakPolarHBondContact CG1-O 3.48Å; V16-L69 HydrophobicContact CG2-CB 4.38Å; I65-L69 HydrophobicContact CG2-CD1 4.2Å; I65-L69 WeakPolarHBondContact O-CG 3.15Å; I65-L69 PolarHBondContact O-N 3.32Å; V66-L69 PolarHBondContact O-N 3.24Å; E67-L69 PolarHBondContact O-N 3.25Å; L69-S73 VanDerWaalsContact O-CA 3.25Å; L69-S73 WeakPolarHBondContact O-CA 3.15Å; L69-S73 WeakPolarHBondContact O-CB 3.43Å; L69-S73 PolarHBondContact O-N 2.88Å; L69-S73 VanDerWaalsContact O-N 3.08Å; L69-F76 HydrophobicContact CD2-CD1 4.3Å; L69-F76 HydrophobicContact CD2-CD2 3.96Å; L69-F76 HydrophobicContact CD2-CE1 4.39Å; L69-F76 HydrophobicContact CD2-CE2 4.09Å; L69-F76 HydrophobicContact CD2-CG 4.08Å; L69-F76 HydrophobicContact CD2-CZ 4.31Å
70I96.4Very high87.4Confident2 Ų266.8 Ų66.81%0.0133%0.325CS..Hα-helixtrans-67.9-49.1178.2-65.4166.7000110.6L19 K20 A23 P33 L36 V66 E67 T68 H72L19-I70 HydrophobicContact CB-CD1 3.99Å; L19-I70 HydrophobicContact CB-CG1 3.89Å; L19-I70 HydrophobicContact CD1-CD1 3.95Å; L19-I70 HydrophobicContact CD1-CG1 4.21Å; K20-I70 HydrophobicContact CB-CG2 4.46Å; A23-I70 HydrophobicContact CB-CG2 4.15Å; P33-I70 HydrophobicContact CB-CG2 4.18Å; L36-I70 HydrophobicContact CB-CD1 3.85Å; V66-I70 HydrophobicContact CG1-CD1 4Å; V66-I70 VanDerWaalsContact O-CG1 3.31Å; V66-I70 WeakPolarHBondContact O-CG1 3.2Å; V66-I70 PolarHBondContact O-N 3.15Å; E67-I70 PolarHBondContact O-N 2.82Å; T68-I70 VanDerWaalsContact C-N 3.33Å; T68-I70 PolarHBondContact O-N 3.16Å; I70-H72 VanDerWaalsContact C-N 3.3Å; I70-H72 PolarHBondContact O-N 3.35Å
71Q95.9Very high86.5Confident95 Ų9570.3 Ų70.344%0.44434%0.337SS..Hα-helixtrans-63.3-36.2-177.4-73.7175.9-8.400112.8P33 E67 T68P33-Q71 HydrophobicContact CB-CG 4.08Å; P33-Q71 HydrophobicContact CG-CG 4.22Å; E67-Q71 WeakPolarHBondContact O-CG 3.41Å; E67-Q71 PolarHBondContact O-N 3.19Å; T68-Q71 PolarHBondContact O-N 3.35Å
72H94.9Very high85.5Confident96 Ų9673.4 Ų73.444%0.44435%0.354SS..THydrogen-bonded Turntrans-114.328.7-174.8-59-66.8000113T68 I70 D74 W75 F76T68-H72 PolarHBondContact O-N 3.37Å; I70-H72 VanDerWaalsContact C-N 3.3Å; I70-H72 PolarHBondContact O-N 3.35Å; H72-D74 VanDerWaalsContact C-N 3.26Å; H72-D74 PolarHBondContact O-N 2.97Å; H72-W75 PolarHBondContact O-N 3.26Å; H72-W75 VanDerWaalsContact O-N 3.12Å; H72-F76 HydrophobicContact CB-CD2 3.97Å; H72-F76 HydrophobicContact CB-CE2 3.97Å; H72-F76 VanDerWaalsContact O-CD2 3.3Å; H72-F76 WeakPolarHBondContact O-CD2 3.48Å; H72-F76 PolarHBondContact O-N 3.04Å; H72-F76 VanDerWaalsContact O-N 3.09Å
73S94.6Very high84.3Confident5 Ų581.6 Ų81.64%0.03539%0.391CS..Hα-helixtrans-54.6-42.3-174.671.20000112.9K20 L69 W75 F76 F77K20-S73 WeakPolarHBondContact CD-OG 3.47Å; L69-S73 VanDerWaalsContact O-CA 3.25Å; L69-S73 WeakPolarHBondContact O-CA 3.15Å; L69-S73 WeakPolarHBondContact O-CB 3.43Å; L69-S73 PolarHBondContact O-N 2.88Å; L69-S73 VanDerWaalsContact O-N 3.08Å; S73-W75 VanDerWaalsContact C-N 3.32Å; S73-W75 PolarHBondContact O-N 3.06Å; S73-F76 PolarHBondContact O-N 3.29Å; S73-F77 WeakPolarHBondContact O-CB 2.98Å; S73-F77 WeakPolarHBondContact O-CD2 3.06Å; S73-F77 PolarHBondContact O-N 2.89Å
74D92.4Very high82.6Confident98 Ų9881.8 Ų81.852%0.52441%0.408SS..Hα-helixtrans-63.8-42.6-176.6-54.6-9.1000110.1K20 H72 S78K20-D74 IonicContact NZ-OD1 2.63Å; K20-D74 PolarHBondContact NZ-OD1 3.46Å; K20-D74 IonicContact NZ-OD2 3.87Å; K20-D74 PolarHBondContact NZ-OD2 2.9Å; H72-D74 VanDerWaalsContact C-N 3.26Å; H72-D74 PolarHBondContact O-N 2.97Å; D74-S78 VanDerWaalsContact O-CB 3.29Å; D74-S78 WeakPolarHBondContact O-CB 3.37Å; D74-S78 PolarHBondContact O-N 3.31Å; D74-S78 PolarHBondContact O-OG 3.46Å
75W91.5Very high80.8Confident179 Ų17984.1 Ų84.168%0.67842%0.421SS*.Hα-helixtrans-64.9-43.7178.2-179.379.8000111.9H72 S73 F77H72-W75 PolarHBondContact O-N 3.26Å; H72-W75 VanDerWaalsContact O-N 3.12Å; S73-W75 VanDerWaalsContact C-N 3.32Å; S73-W75 PolarHBondContact O-N 3.06Å; W75-F77 PolarHBondContact O-N 3.33Å
76F90.2Very high79Confident45 Ų4591.2 Ų91.220%0.19744%0.442CS..Hα-helixtrans-66-37.3180-85.5-67.5000113.4I1 T68 L69 H72 S73I1-F76 HydrophobicContact CD1-CB 3.68Å; I1-F76 HydrophobicContact CD1-CD1 3.63Å; I1-F76 HydrophobicContact CD1-CG 4.01Å; I1-F76 HydrophobicContact CG1-CD1 4.11Å; I1-F76 HydrophobicContact CG2-CD1 4.33Å; I1-F76 HydrophobicContact CG2-CE1 4.39Å; T68-F76 HydrophobicContact CG2-CE2 4.26Å; L69-F76 HydrophobicContact CD2-CD1 4.3Å; L69-F76 HydrophobicContact CD2-CD2 3.96Å; L69-F76 HydrophobicContact CD2-CE1 4.39Å; L69-F76 HydrophobicContact CD2-CE2 4.09Å; L69-F76 HydrophobicContact CD2-CG 4.08Å; L69-F76 HydrophobicContact CD2-CZ 4.31Å; H72-F76 HydrophobicContact CB-CD2 3.97Å; H72-F76 HydrophobicContact CB-CE2 3.97Å; H72-F76 VanDerWaalsContact O-CD2 3.3Å; H72-F76 WeakPolarHBondContact O-CD2 3.48Å; H72-F76 PolarHBondContact O-N 3.04Å; H72-F76 VanDerWaalsContact O-N 3.09Å; S73-F76 PolarHBondContact O-N 3.29Å
77F90.1Very high77Confident13 Ų1397.6 Ų97.66%0.05748%0.475CS..Hα-helixtrans-110.711.4-171.3-61.1-71.1000114.5I1 Y9 L12 K13 V16 S73 W75I1-F77 HydrophobicContact CD1-CD1 4.19Å; I1-F77 HydrophobicContact CD1-CE1 3.76Å; I1-F77 HydrophobicContact CD1-CZ 3.99Å; Y9-F77 HydrophobicContact CD2-CE1 4.19Å; Y9-F77 HydrophobicContact CE1-CD1 4.37Å; Y9-F77 AromaticContact CE2-CD1 3.67Å; Y9-F77 HydrophobicContact CE2-CD1 3.67Å; Y9-F77 AromaticContact CE2-CE1 3.72Å; Y9-F77 HydrophobicContact CE2-CE1 3.72Å; Y9-F77 AromaticContact CZ-CD1 3.61Å; L12-F77 HydrophobicContact CD2-CZ 4.33Å; L12-F77 HydrophobicContact CG-CZ 4.14Å; K13-F77 HydrophobicContact CB-CD1 3.52Å; K13-F77 HydrophobicContact CB-CE1 3.69Å; K13-F77 HydrophobicContact CB-CG 4.04Å; K13-F77 HydrophobicContact CB-CZ 4.35Å; K13-F77 HydrophobicContact CD-CB 3.94Å; K13-F77 HydrophobicContact CD-CD1 4.02Å; K13-F77 HydrophobicContact CD-CG 4.22Å; K13-F77 HydrophobicContact CG-CB 3.88Å; K13-F77 HydrophobicContact CG-CD1 3.7Å; K13-F77 HydrophobicContact CG-CD2 4.46Å; K13-F77 HydrophobicContact CG-CE1 4.36Å; K13-F77 HydrophobicContact CG-CG 3.77Å; K13-F77 PolarHBondContact NZ-O 2.71Å; V16-F77 HydrophobicContact CB-CE2 3.91Å; V16-F77 HydrophobicContact CB-CZ 4.47Å; V16-F77 HydrophobicContact CG1-CE2 3.92Å; V16-F77 HydrophobicContact CG2-CE2 4.38Å; S73-F77 WeakPolarHBondContact O-CB 2.98Å; S73-F77 WeakPolarHBondContact O-CD2 3.06Å; S73-F77 PolarHBondContact O-N 2.89Å; W75-F77 PolarHBondContact O-N 3.33Å
78S84.9Confident75.3Confident52 Ų52102.7 Ų102.736%0.36450%0.502SS..  trans-64.1139.3172.7-77.80000111.5D74 E80D74-S78 VanDerWaalsContact O-CB 3.29Å; D74-S78 WeakPolarHBondContact O-CB 3.37Å; D74-S78 PolarHBondContact O-N 3.31Å; D74-S78 PolarHBondContact O-OG 3.46Å; S78-E80 PolarHBondContact O-N 3.04Å
79D71.5Confident73.8Confident117 Ų117104.9 Ų104.963%0.62652%0.518SS*.G310 helixtrans-81.53.1-177.5-56.8-40.9000113K13 E81 D82K13-D79 IonicContact NZ-OD1 3.07Å; K13-D79 PolarHBondContact NZ-OD1 3.39Å; D79-E81 PolarHBondContact O-N 2.78Å; D79-E81 VanDerWaalsContact O-N 3.15Å; D79-D82 PolarHBondContact O-N 3.11Å
80E60.9Low71.9Confident170 Ų170109.4 Ų109.479%0.79455%0.548SS*.G310 helixtrans-66.4-15.7-171-67.5-70.4124.900114.7S78S78-E80 PolarHBondContact O-N 3.04Å
81E55.7Low69.9Low121 Ų121115.3 Ų115.357%0.56558%0.584SS**G310 helixtrans-110.11.4-175.7-67.4177.3172.700114.1R2 D79 K83 G84R2-E81 IonicContact CZ-OE2 2.61Å; R2-E81 VanDerWaalsContact NH1-CB 3.32Å; R2-E81 IonicContact NH1-OE2 2.71Å; R2-E81 PolarHBondContact NH1-OE2 3.39Å; R2-E81 IonicContact NH2-OE2 3.01Å; R2-E81 PolarHBondContact NH2-OE2 3.3Å; D79-E81 PolarHBondContact O-N 2.78Å; D79-E81 VanDerWaalsContact O-N 3.15Å; E81-K83 VanDerWaalsContact C-N 3.27Å; E81-K83 PolarHBondContact O-N 3.2Å; E81-G84 PolarHBondContact O-N 3.23Å
82D56.4Low68.2Low151 Ų151116.8 Ų116.881%0.80760%0.599SS**THydrogen-bonded Turntrans-80-7175.5-164.955.1000113.1D79 G84D79-D82 PolarHBondContact O-N 3.11Å; D82-G84 PolarHBondContact O-N 3.31Å
83K48.8Very low66.2Low205 Ų205119.7 Ų119.789%0.89161%0.613SS**THydrogen-bonded Turntrans-8213.1166.9-64.2-167.9-179.7-168.10113.2E81 E85E81-K83 VanDerWaalsContact C-N 3.27Å; E81-K83 PolarHBondContact O-N 3.2Å; K83-E85 PolarHBondContact O-N 3.31Å
84G50.5Low63.9Low56 Ų56125.2 Ų125.258%0.57765%0.648SS**SBendtrans-79.685.9164.800000109.8E81 D82 R86E81-G84 PolarHBondContact O-N 3.23Å; D82-G84 PolarHBondContact O-N 3.31Å; G84-R86 PolarHBondContact O-N 2.73Å
85E51.5Low61.7Low163 Ų163125.4 Ų125.476%0.76266%0.658SS**  trans-31.1112.7167.6-169.9163.7-166.100111.1K83 I87K83-E85 PolarHBondContact O-N 3.31Å; E85-I87 HydrophobicContact CB-CG1 4.23Å; E85-I87 HydrophobicContact CG-CG1 3.86Å; E85-I87 PolarHBondContact O-N 2.85Å
86R53.5Low59.7Low238 Ų238122.8 Ų122.890%0.89866%0.664SS**  trans-64.281.1162.9-71.3-176.8-175.6-178.71.8106.6G84 L88G84-R86 PolarHBondContact O-N 2.73Å; R86-L88 PolarHBondContact O-N 3.12Å
87I51.9Low57.9Low133 Ų133132.2 Ų132.268%0.68270%0.698SS**  trans-63.394.7167.3-57.9178.2000104.8E85E85-I87 HydrophobicContact CB-CG1 4.23Å; E85-I87 HydrophobicContact CG-CG1 3.86Å; E85-I87 PolarHBondContact O-N 2.85Å
88L59.7Low56.3Low144 Ų144138.5 Ų138.575%0.75474%0.737SS**PPolyproline II helixtrans-53.1129.5164-67.1168.4000105.9R86R86-L88 PolarHBondContact O-N 3.12Å
89P63Low54.7Low104 Ų104147.5 Ų147.568%0.67576%0.763SS**PPolyproline II helixtrans-54.1134.5170.923.6-31.7000107.1V91P89-V91 PolarHBondContact O-N 2.9Å
90P55.4Low53.8Low110 Ų110144.7 Ų144.771%0.71476%0.761SS**PPolyproline II helixtrans-56117.3-177.921.9-31.3000107.6V92P90-V92 VanDerWaalsContact C-N 3.28Å; P90-V92 PolarHBondContact O-N 3.01Å
91V55.5Low53.4Low126 Ų126142.6 Ų142.676%0.76476%0.762SS**  trans-59.2102165.9167.80000105P89 Q93P89-V91 PolarHBondContact O-N 2.9Å; V91-Q93 HydrophobicContact CG1-CG 4.19Å; V91-Q93 PolarHBondContact O-N 3.36Å
92V59.1Low53Low126 Ų126143 Ų14376%0.76478%0.776SS**  trans-6590.7171.2-178.90000105.9P90 P94P90-V92 VanDerWaalsContact C-N 3.28Å; P90-V92 PolarHBondContact O-N 3.01Å; V92-P94 VanDerWaalsContact O-CD 3.24Å; V92-P94 WeakPolarHBondContact O-CD 3.45Å
93Q52.6Low52.5Low158 Ų158147.1 Ų147.174%0.73878%0.78SS**  trans-66.8117.6167.6-74.7-176.930.400107.2V91 S95V91-Q93 HydrophobicContact CG1-CG 4.19Å; V91-Q93 PolarHBondContact O-N 3.36Å; Q93-S95 PolarHBondContact O-N 2.84Å; Q93-S95 VanDerWaalsContact O-N 3.13Å
94P47.6Very low52.4Low121 Ų121148.1 Ų148.179%0.78678%0.778SS**  trans-69.1114.6169.627-29.2000108V92V92-P94 VanDerWaalsContact O-CD 3.24Å; V92-P94 WeakPolarHBondContact O-CD 3.45Å
95S45.9Very low51.9Low102 Ų102150.2 Ų150.271%0.71378%0.784SS**  trans-53140.7177-48.50000111.3Q93 R97Q93-S95 PolarHBondContact O-N 2.84Å; Q93-S95 VanDerWaalsContact O-N 3.13Å; S95-R97 PolarHBondContact O-N 3.15Å
96P48.7Very low51.4Low124 Ų124152.6 Ų152.681%0.80579%0.786SS**  trans-69.5111.3178.227.4-30.3000108.9V98P96-V98 PolarHBondContact O-N 3.27Å; P96-V98 VanDerWaalsContact O-N 3.09Å
97R52Low50.9Low243 Ų243147 Ų14792%0.91778%0.779SS**  trans-61.4113.1171.3-66.4-178.2-172.1-127.71.8108.2S95 R99S95-R97 PolarHBondContact O-N 3.15Å; R97-R99 PolarHBondContact O-N 3.16Å
98V56.6Low50.6Low144 Ų144146.4 Ų146.487%0.87378%0.783SS**  trans-55.6101.7170176.40000108P96P96-V98 PolarHBondContact O-N 3.27Å; P96-V98 VanDerWaalsContact O-N 3.09Å
99R51.1Low49.4Very low242 Ų242142.9 Ų142.991%0.91378%0.782SS**  trans-91.1117.4173.5-157.5-179-92.3-143.3-0.1106.5R97R97-R99 PolarHBondContact O-N 3.16Å
100G53.5Low48.5Very low57 Ų57149.2 Ų149.259%0.58879%0.792SS**  trans-58.2176.2-174.400000115.4
101P51.7Low47.8Very low126 Ų126150.3 Ų150.382%0.81880%0.801SS**  trans-69.3153.7-161.728.5-34.5000113.1R103P101-R103 PolarHBondContact O-N 3.02Å
102P47.4Very low46.6Very low131 Ų131156.5 Ų156.585%0.85181%0.811SS**  trans-75.9121.1-175.430.4-31.5000110.6R104P102-R104 PolarHBondContact O-N 3.06Å
103R46Very low45.4Very low236 Ų236161.1 Ų161.189%0.89181%0.814SS**  trans-77.4114.9170.2-152.8174.1-168.9-95.13.7108.9P101P101-R103 PolarHBondContact O-N 3.02Å
104R48Very low44.9Very low226 Ų226159 Ų15985%0.85382%0.817SS**  trans-78.8122.7-179.1-167.6178.1-169.7-103.64.9110.9P102P102-R104 PolarHBondContact O-N 3.06Å
105S39Very low44.8Very low100 Ų100157.8 Ų157.870%0.69981%0.809SS**  trans-166.891.7157.7500000108.5
106R40.2Very low44.5Very low213 Ų213158 Ų15880%0.80481%0.811SS**  65.9101.187.7-139.1178.3171.1-160.4-5.7114.3
107T43.6Very low44.1Very low122 Ų122158 Ų15875%0.74881%0.813SS**  trans76.1163144.356.90000120.6
108P45Very low43.8Very low119 Ų119156.6 Ų156.677%0.77381%0.808SS**  -138163.1-51.338.1-22.1000112.9
109G36.2Very low43.3Very low71 Ų71155.9 Ų155.973%0.73281%0.806SS**  trans102.6109.2151.300000116.3
110R43.7Very low42.8Very low237 Ų237147.9 Ų147.989%0.89479%0.788SS**  -172.5110.9107.9-96.2170.9-169.1-78.8-0.2108.3W112R110-W112 PolarHBondContact O-N 3.03Å
111C40.8Very low42.2Very low132 Ų132152.4 Ų152.489%0.89280%0.804SS**PPolyproline II helixtrans-56122.9169.3-61.60000109.5R113C111-R113 PolarHBondContact O-N 3.46Å
112W29.7Very low41.5Very low257 Ų257150.8 Ų150.897%0.97380%0.802SS**PPolyproline II helixtrans-75.3120.8163.5-90.133.1000108.7R110R110-W112 PolarHBondContact O-N 3.03Å
113R35Very low41Very low223 Ų223150.3 Ų150.384%0.84280%0.801SS**PPolyproline II helixtrans-83.6124.2-179.5-161.8-178.5-145.1-81.92.2107.9C111C111-R113 PolarHBondContact O-N 3.46Å
114S40.8Very low40.5Very low113 Ų113142.9 Ų142.979%0.7979%0.79SS**PPolyproline II helixtrans-90.7148.7155.4-59.60000109
115P45.8Very low39.8Very low96 Ų96143.7 Ų143.762%0.62379%0.793SS**  -143.2124.1114.120.41.3000111.7
116S39.5Very low39.8Very low107 Ų107144 Ų14475%0.74880%0.796SS**  60.9114.889.173.60000115.8
117S39.8Very low39.5Very low123 Ų123138 Ų13886%0.8680%0.8SS**  trans-172.8101.9134.346.40000111.6
118R47Very low39.3Very low213 Ų213136.2 Ų136.280%0.80481%0.806SS**  trans-66.6162.6148.1-95.8177.8159.8-138.93.1108.8S120R118-S120 PolarHBondContact NH1-OG 3.39Å
119P46.3Very low39.3Very low129 Ų129142.1 Ų142.184%0.83881%0.812SS**  -131.9157.7107.610.310.9000113.6
120S39.3Very low39.8Very low75 Ų75150.7 Ų150.752%0.52482%0.823SS.*  trans-112.7137.6169.3-55.60000107.9R118R118-S120 PolarHBondContact NH1-OG 3.39Å
121T42.4Very low39.5Very low151 Ų151143.3 Ų143.393%0.92682%0.821SS**  trans-153.8148.6151.739.70000110.2
122A36.7Very low39.4Very low93 Ų93140.8 Ų140.877%0.76982%0.817SS**  trans-98.5163.5-158.100000114.8
123S36.6Very low39.9Very low121 Ų121141.1 Ų141.185%0.84682%0.818SS**  trans60.3119.9138.7-146.10000120.8
124A35.1Very low40.3Very low80 Ų80135 Ų13566%0.66182%0.815SS**  158137.8101.700000114.1
125R33.7Very low40.4Very low242 Ų242138 Ų13891%0.91385%0.847SS**  trans66.4146.8152.4-73165.485.7-167.36.3116.9
126S37.8Very low40.2Very low108 Ų108140.2 Ų140.276%0.75586%0.858SS**  cis-174.1149.44.444.80000109.2
127G34.9Very low40.2Very low87 Ų87141.9 Ų141.990%0.89786%0.864SS**  trans90.2133138.500000118.8
128G40.1Very low40.2Very low83 Ų83142.9 Ų142.986%0.85687%0.865SS**  trans147.984.5158.600000115.3
129R43.8Very low39.8Very low243 Ų243138.8 Ų138.892%0.91787%0.868SS**  trans-74.9164.9165.7-78174.7165-120.50.5111.5
130R47Very low39.4Very low252 Ų252139.4 Ų139.495%0.95187%0.87SS**  trans108.6122167.6-63.9172.1-174.1-89.91.4110.2
131G38.2Very low39.4Very low82 Ų82143.7 Ų143.785%0.84589%0.893SS**  cis113.413528.400000107.9
132G39Very low39.2Very low79 Ų79143.2 Ų143.281%0.81489%0.891SS**  trans136.8103.516300000115.5
133W39.4Very low39.4Very low263 Ų263147.1 Ų147.1100%0.99690%0.9SS**  trans-74144.4157.6-6827.8000109.4
134A43.5Very low39.6Very low94 Ų94149.3 Ų149.378%0.77791%0.905SS**  trans-163.8109.5156.100000105.5
135A43.1Very low40Very low178 Ų178155.5 Ų155.5100%1.47193%0.927SS**  83.4084.100000110.8

Retrieved 135 of 135 residues in 56.2 ms (Link to these results)

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