A0A077ZDD6_TRITR Loading...

ADP-ribose pyrophosphatase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZDD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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
1M87.5Confident95.6Very high136 Ų13698.7 Ų98.767%0.6750%0.496SS*.  0133.90176.2179.8164.600106.9R4 W26 I86M1-R4 HydrophobicContact CE-CG 4.49Å; M1-W26 HydrophobicContact CB-CD2 4.35Å; M1-W26 HydrophobicContact CB-CH2 3.92Å; M1-W26 HydrophobicContact CB-CZ2 3.73Å; M1-W26 HydrophobicContact CB-CZ3 4.3Å; M1-W26 HydrophobicContact CG-CD2 4.13Å; M1-W26 HydrophobicContact CG-CE3 3.96Å; M1-W26 HydrophobicContact CG-CH2 4.07Å; M1-W26 HydrophobicContact CG-CZ2 4.23Å; M1-W26 HydrophobicContact CG-CZ3 3.93Å; M1-W26 HydrophobicContact SD-CH2 4.41Å; M1-W26 HydrophobicContact SD-CZ3 4.14Å; M1-I86 HydrophobicContact CE-CD1 3.95Å; M1-I86 HydrophobicContact CG-CD1 4.42Å
2P93.5Very high95.7Very high44 Ų4493.7 Ų93.729%0.28647%0.474SS..PPolyproline II helixtrans-74.616118031.3-35.2000111.9P24 W26 I86P2-P24 HydrophobicContact CB-CB 4.03Å; P2-P24 HydrophobicContact CB-CG 4.26Å; P2-P24 HydrophobicContact CG-CB 4.06Å; P2-P24 HydrophobicContact CG-CG 4.33Å; P2-W26 HydrophobicContact CG-CB 3.72Å; P2-W26 HydrophobicContact CG-CG 3.92Å; P2-I86 HydrophobicContact CG-CD1 3.98Å
3E96Very high95.7Very high176 Ų17691.2 Ų91.282%0.82247%0.468SS*.PPolyproline II helixtrans-61.2148.8168.1-173.9168-165.800110.6P24E3-P24 WeakPolarHBondContact O-CG 3.25Å
4R96Very high95.6Very high140 Ų14089 Ų8953%0.52845%0.451SS..PPolyproline II helixtrans-93.9143.2-178.9-62.1-172.1173.7-174.12.1110.2M1 E6 G85 I86M1-R4 HydrophobicContact CE-CG 4.49Å; R4-E6 PolarHBondContact O-N 3.3Å; R4-G85 CarbonylContact C-O 3.51Å; R4-G85 VanDerWaalsContact CA-O 3.24Å; R4-G85 WeakPolarHBondContact CA-O 3.42Å; R4-G85 WeakPolarHBondContact CB-O 3.21Å; R4-I86 HydrophobicContact CG-CB 4.24Å
5T96.3Very high95.5Very high44 Ų4497.9 Ų97.927%0.2748%0.477SS..PPolyproline II helixtrans-63.8130.6166.8-53.60000109.5Y21 H22 P23 P24 G85T5-Y21 HydrophobicContact CG2-CD2 4.45Å; T5-H22 PolarHBondContact OG1-O 3.1Å; T5-P23 WeakPolarHBondContact OG1-CA 3.12Å; T5-P24 VanDerWaalsContact OG1-CD 3.31Å; T5-P24 WeakPolarHBondContact OG1-CD 3.33Å; T5-G85 PolarHBondContact N-O 3.27Å; T5-G85 WeakPolarHBondContact O-CA 3.49Å
6E96.5Very high95.5Very high173 Ų17397.9 Ų97.981%0.80848%0.476SS*.PPolyproline II helixtrans-64.4134.9173.6-169.3171.2-170.300110.5R4R4-E6 PolarHBondContact O-N 3.3Å
7V97.3Very high95.5Very high26 Ų2698.1 Ų98.116%0.15849%0.487CS..  trans-125.2109.1-179.4-1760000107.9V12 F18 Y21 R83V7-V12 HydrophobicContact CG1-CB 4.43Å; V7-V12 HydrophobicContact CG1-CG2 3.75Å; V7-F18 HydrophobicContact CG1-CE1 4.22Å; V7-Y21 HydrophobicContact CG2-CD2 4.2Å; V7-Y21 HydrophobicContact CG2-CE2 3.56Å; V7-R83 HydrophobicContact CG1-CB 3.93Å; V7-R83 HydrophobicContact CG2-CB 4.24Å
8P96.8Very high95.5Very high58 Ų5894.8 Ų94.838%0.37747%0.469SS..  trans-54.4142.7170.6-27.837000111.6D10 L11 V12P8-D10 WeakPolarHBondContact CB-OD1 3.37Å; P8-D10 PolarHBondContact O-N 3.24Å; P8-L11 HydrophobicContact CB-CB 4.43Å; P8-L11 HydrophobicContact CB-CD1 4.28Å; P8-L11 HydrophobicContact CB-CG 4.28Å; P8-L11 HydrophobicContact CG-CD1 4.08Å; P8-L11 CarbonylContact O-C 3.5Å; P8-L11 WeakPolarHBondContact O-CA 3.3Å; P8-L11 PolarHBondContact O-N 3.07Å; P8-V12 PolarHBondContact O-N 3.25Å
9D97Very high95.5Very high147 Ų14796.8 Ų96.879%0.78649%0.487SS*.G310 helixtrans-56.6-36.6-173.7-78.7-22.9000113.1L11 V12D9-L11 VanDerWaalsContact C-N 3.28Å; D9-L11 PolarHBondContact O-N 2.81Å; D9-V12 PolarHBondContact O-N 2.92Å
10D97.2Very high95.4Very high107 Ų10796.4 Ų96.457%0.57249%0.493SS*.G310 helixtrans-68-26.6176.563.8-54.3000112.6P8 P13 Q16P8-D10 WeakPolarHBondContact CB-OD1 3.37Å; P8-D10 PolarHBondContact O-N 3.24Å; D10-P13 WeakPolarHBondContact O-CD 3.45Å; D10-Q16 WeakPolarHBondContact O-CG 3.23Å
11L97.5Very high95.5Very high35 Ų3593.3 Ų93.318%0.18348%0.476CS..G310 helixtrans-96.3-1.2-179.5-58.6-178.7000113.6P8 D9 Q16 F18 R83P8-L11 HydrophobicContact CB-CB 4.43Å; P8-L11 HydrophobicContact CB-CD1 4.28Å; P8-L11 HydrophobicContact CB-CG 4.28Å; P8-L11 HydrophobicContact CG-CD1 4.08Å; P8-L11 CarbonylContact O-C 3.5Å; P8-L11 WeakPolarHBondContact O-CA 3.3Å; P8-L11 PolarHBondContact O-N 3.07Å; D9-L11 VanDerWaalsContact C-N 3.28Å; D9-L11 PolarHBondContact O-N 2.81Å; L11-Q16 HydrophobicContact CD2-CB 4.34Å; L11-F18 HydrophobicContact CB-CD1 3.69Å; L11-F18 HydrophobicContact CB-CE1 4.06Å; L11-F18 HydrophobicContact CB-CG 4.15Å; L11-F18 HydrophobicContact CD1-CD1 3.95Å; L11-F18 HydrophobicContact CD1-CD2 3.75Å; L11-F18 HydrophobicContact CD1-CE1 3.99Å; L11-F18 HydrophobicContact CD1-CE2 3.76Å; L11-F18 HydrophobicContact CD1-CG 3.85Å; L11-F18 HydrophobicContact CD1-CZ 3.89Å; L11-F18 HydrophobicContact CG-CD1 4.42Å; L11-F18 HydrophobicContact CG-CG 4.48Å; L11-R83 WeakPolarHBondContact O-CD 3.48Å; L11-R83 PolarHBondContact O-NH1 3.07Å
12V96.9Very high95.8Very high38 Ų3893.8 Ų93.823%0.2348%0.476CS..  trans-58.4-47.3174.8173.30000112.4V7 P8 D9 W14 G82 R83V7-V12 HydrophobicContact CG1-CB 4.43Å; V7-V12 HydrophobicContact CG1-CG2 3.75Å; P8-V12 PolarHBondContact O-N 3.25Å; D9-V12 PolarHBondContact O-N 2.92Å; V12-W14 PolarHBondContact O-N 3.17Å; V12-G82 CarbonylContact O-C 3.58Å; V12-G82 WeakPolarHBondContact O-CA 3.3Å; V12-R83 PolarHBondContact O-N 3.32Å
13P95.9Very high96Very high61 Ų6193.1 Ų93.140%0.39647%0.472SS..SBendtrans-67.3133.8-177.2-20.334.2000112.8D10 R15 Q16 R83D10-P13 WeakPolarHBondContact O-CD 3.45Å; P13-R15 PolarHBondContact O-N 3.43Å; P13-Q16 PolarHBondContact O-N 2.7Å; P13-R83 PolarHBondContact O-NH1 3.12Å
14W94.4Very high96Very high61 Ų6186.7 Ų86.723%0.23145%0.445CS..THydrogen-bonded Turntrans-58-22178.6-65.9113000115.1V12 Q16 Y21 L78 N79 R83V12-W14 PolarHBondContact O-N 3.17Å; W14-Q16 PolarHBondContact O-N 3.15Å; W14-Y21 HydrophobicContact CH2-CE1 4.22Å; W14-Y21 HydrophobicContact CZ3-CE1 4.24Å; W14-L78 HydrophobicContact CD2-CB 4.48Å; W14-L78 HydrophobicContact CD2-CD1 3.96Å; W14-L78 HydrophobicContact CE3-CD1 4.23Å; W14-L78 HydrophobicContact CG-CD1 4.17Å; W14-L78 HydrophobicContact CH2-CD2 3.96Å; W14-L78 HydrophobicContact CZ2-CB 4.19Å; W14-L78 HydrophobicContact CZ2-CD2 3.98Å; W14-L78 HydrophobicContact CZ3-CD2 4.25Å; W14-N79 PolarHBondContact NE1-O 2.86Å; W14-R83 HydrophobicContact CD2-CG 4.25Å; W14-R83 HydrophobicContact CE3-CG 3.82Å; W14-R83 HydrophobicContact CH2-CG 3.76Å; W14-R83 HydrophobicContact CZ2-CG 4.18Å; W14-R83 HydrophobicContact CZ3-CG 3.56Å
15R93.5Very high95.9Very high222 Ų22285.4 Ų85.484%0.83844%0.441SS*.THydrogen-bonded Turntrans-67.1-26.2176.2-62.9-176-172.1168.43.9112.5P13P13-R15 PolarHBondContact O-N 3.43Å
16Q95.4Very high95.8Very high99 Ų9986.9 Ų86.946%0.46344%0.442SS..SBendtrans-82.5127.5177.8-62.6-66.32.500109.5D10 L11 P13 W14 F18 R83D10-Q16 WeakPolarHBondContact O-CG 3.23Å; L11-Q16 HydrophobicContact CD2-CB 4.34Å; P13-Q16 PolarHBondContact O-N 2.7Å; W14-Q16 PolarHBondContact O-N 3.15Å; Q16-F18 PolarHBondContact O-N 3.31Å; Q16-R83 PolarHBondContact O-NH1 3.03Å; Q16-R83 PolarHBondContact O-NH2 3.37Å
17P95.6Very high95.6Very high101 Ų10180.7 Ų80.766%0.65642%0.416SS*.  trans-66.4131.1175.328.1-32.5000109.3
18F96.1Very high95.3Very high38 Ų3880.9 Ų80.917%0.16742%0.417CS..  trans-140.387.1176.6-169.8-175.1000107.9V7 L11 Q16 S20 Y21V7-F18 HydrophobicContact CG1-CE1 4.22Å; L11-F18 HydrophobicContact CB-CD1 3.69Å; L11-F18 HydrophobicContact CB-CE1 4.06Å; L11-F18 HydrophobicContact CB-CG 4.15Å; L11-F18 HydrophobicContact CD1-CD1 3.95Å; L11-F18 HydrophobicContact CD1-CD2 3.75Å; L11-F18 HydrophobicContact CD1-CE1 3.99Å; L11-F18 HydrophobicContact CD1-CE2 3.76Å; L11-F18 HydrophobicContact CD1-CG 3.85Å; L11-F18 HydrophobicContact CD1-CZ 3.89Å; L11-F18 HydrophobicContact CG-CD1 4.42Å; L11-F18 HydrophobicContact CG-CG 4.48Å; Q16-F18 PolarHBondContact O-N 3.31Å; F18-S20 WeakPolarHBondContact CE2-OG 3.27Å; F18-Y21 AromaticContact CD1-CD2 3.85Å; F18-Y21 HydrophobicContact CD1-CD2 3.85Å; F18-Y21 AromaticContact CD1-CG 3.96Å; F18-Y21 HydrophobicContact CD1-CG 3.96Å; F18-Y21 AromaticContact CE1-CD2 3.75Å; F18-Y21 HydrophobicContact CE1-CD2 3.75Å; F18-Y21 HydrophobicContact CE1-CG 4.28Å; F18-Y21 HydrophobicContact CG-CG 4.44Å; F18-Y21 VanDerWaalsContact O-CB 3.24Å; F18-Y21 WeakPolarHBondContact O-CB 3.39Å; F18-Y21 PolarHBondContact O-N 2.53Å
19V94.6Very high95.1Very high134 Ų13483.7 Ų83.781%0.81244%0.435SS*.THydrogen-bonded Turntrans-71.3-35.5-167.8176.80000112.3Y21 H22V19-Y21 PolarHBondContact O-N 2.94Å; V19-H22 PolarHBondContact O-CE1 3.47Å
20S95Very high94.8Very high87 Ų8779.3 Ų79.361%0.60842%0.416SS*.THydrogen-bonded Turntrans-79.21.6177.351.90000113.8F18 H22F18-S20 WeakPolarHBondContact CE2-OG 3.27Å; S20-H22 VanDerWaalsContact C-ND1 3.34Å; S20-H22 PolarHBondContact O-N 2.84Å; S20-H22 PolarHBondContact O-ND1 3.39Å
21Y96.3Very high94.5Very high32 Ų3278.5 Ų78.513%0.12542%0.418CS..  trans-72.495.5-178.2-174.7-113000112.2T5 V7 W14 F18 V19 P23 R83 T84 G85T5-Y21 HydrophobicContact CG2-CD2 4.45Å; V7-Y21 HydrophobicContact CG2-CD2 4.2Å; V7-Y21 HydrophobicContact CG2-CE2 3.56Å; W14-Y21 HydrophobicContact CH2-CE1 4.22Å; W14-Y21 HydrophobicContact CZ3-CE1 4.24Å; F18-Y21 AromaticContact CD1-CD2 3.85Å; F18-Y21 HydrophobicContact CD1-CD2 3.85Å; F18-Y21 AromaticContact CD1-CG 3.96Å; F18-Y21 HydrophobicContact CD1-CG 3.96Å; F18-Y21 AromaticContact CE1-CD2 3.75Å; F18-Y21 HydrophobicContact CE1-CD2 3.75Å; F18-Y21 HydrophobicContact CE1-CG 4.28Å; F18-Y21 HydrophobicContact CG-CG 4.44Å; F18-Y21 VanDerWaalsContact O-CB 3.24Å; F18-Y21 WeakPolarHBondContact O-CB 3.39Å; F18-Y21 PolarHBondContact O-N 2.53Å; V19-Y21 PolarHBondContact O-N 2.94Å; Y21-P23 VanDerWaalsContact C-CD 3.5Å; Y21-P23 HydrophobicContact CD1-CG 4.17Å; Y21-P23 HydrophobicContact CE1-CB 4.27Å; Y21-P23 HydrophobicContact CE1-CG 3.56Å; Y21-P23 HydrophobicContact CE2-CB 4.24Å; Y21-P23 HydrophobicContact CE2-CG 4.35Å; Y21-P23 WeakPolarHBondContact O-CD 3.44Å; Y21-R83 HydrophobicContact CD1-CG 4.15Å; Y21-R83 HydrophobicContact CE1-CB 4.15Å; Y21-R83 HydrophobicContact CE1-CG 3.7Å; Y21-R83 HydrophobicContact CE2-CB 4.03Å; Y21-R83 HydrophobicContact CE2-CG 4.29Å; Y21-T84 PolarHBondContact OH-N 2.86Å; Y21-G85 PolarHBondContact OH-N 3Å
22H95Very high94.2Very high146 Ų14681.2 Ų81.268%0.67643%0.429SS*.  trans-11975.9176-60.888.2000110T5 V19 S20T5-H22 PolarHBondContact OG1-O 3.1Å; V19-H22 PolarHBondContact O-CE1 3.47Å; S20-H22 VanDerWaalsContact C-ND1 3.34Å; S20-H22 PolarHBondContact O-N 2.84Å; S20-H22 PolarHBondContact O-ND1 3.39Å
23P96.4Very high93.8Very high30 Ų3089.6 Ų89.620%0.19546%0.456CS..PPolyproline II helixtrans-64.9138.5179.428.8-36.1000110.7T5 Y21 Y25 A87T5-P23 WeakPolarHBondContact OG1-CA 3.12Å; Y21-P23 VanDerWaalsContact C-CD 3.5Å; Y21-P23 HydrophobicContact CD1-CG 4.17Å; Y21-P23 HydrophobicContact CE1-CB 4.27Å; Y21-P23 HydrophobicContact CE1-CG 3.56Å; Y21-P23 HydrophobicContact CE2-CB 4.24Å; Y21-P23 HydrophobicContact CE2-CG 4.35Å; Y21-P23 WeakPolarHBondContact O-CD 3.44Å; P23-Y25 PolarHBondContact O-N 2.84Å; P23-A87 HydrophobicContact CB-CB 4.33Å; P23-A87 HydrophobicContact CG-CB 3.94Å
24P96.2Very high93.4Very high42 Ų4293.8 Ų93.827%0.27347%0.465SS..PPolyproline II helixtrans-59.6136173.916.6-23.9000110.4P2 E3 T5 G85 I86 A87P2-P24 HydrophobicContact CB-CB 4.03Å; P2-P24 HydrophobicContact CB-CG 4.26Å; P2-P24 HydrophobicContact CG-CB 4.06Å; P2-P24 HydrophobicContact CG-CG 4.33Å; E3-P24 WeakPolarHBondContact O-CG 3.25Å; T5-P24 VanDerWaalsContact OG1-CD 3.31Å; T5-P24 WeakPolarHBondContact OG1-CD 3.33Å; P24-G85 WeakPolarHBondContact CD-O 3.41Å; P24-I86 WeakPolarHBondContact O-CG1 3.26Å; P24-A87 PolarHBondContact O-N 2.91Å
25Y93.4Very high93.3Very high113 Ų11392.5 Ų92.544%0.44347%0.465SS..EExtended strand (participates in β ladder)trans-85.5122.8178.1-172.2-84.9000109.7P23 T27 E38 V39 A87 W95P23-Y25 PolarHBondContact O-N 2.84Å; Y25-T27 HydrophobicContact CE1-CG2 3.98Å; Y25-E38 PolarHBondContact OH-OE2 2.96Å; Y25-V39 HydrophobicContact CE2-CG2 4.41Å; Y25-V39 WeakPolarHBondContact OH-CG2 3.18Å; Y25-A87 HydrophobicContact CD2-CB 4.25Å; Y25-W95 HydrophobicContact CE2-CH2 4.37Å; Y25-W95 WeakPolarHBondContact OH-CH2 3.47Å
26W94Very high93.2Very high74 Ų7482.1 Ų82.128%0.2843%0.426SS..EExtended strand (participates in β ladder)trans-130.8119.2-179.2-170.152.2000111.7M1 P2 V28 I86 A87 G88 R89 G90M1-W26 HydrophobicContact CB-CD2 4.35Å; M1-W26 HydrophobicContact CB-CH2 3.92Å; M1-W26 HydrophobicContact CB-CZ2 3.73Å; M1-W26 HydrophobicContact CB-CZ3 4.3Å; M1-W26 HydrophobicContact CG-CD2 4.13Å; M1-W26 HydrophobicContact CG-CE3 3.96Å; M1-W26 HydrophobicContact CG-CH2 4.07Å; M1-W26 HydrophobicContact CG-CZ2 4.23Å; M1-W26 HydrophobicContact CG-CZ3 3.93Å; M1-W26 HydrophobicContact SD-CH2 4.41Å; M1-W26 HydrophobicContact SD-CZ3 4.14Å; P2-W26 HydrophobicContact CG-CB 3.72Å; P2-W26 HydrophobicContact CG-CG 3.92Å; W26-V28 HydrophobicContact CH2-CG1 4.26Å; W26-V28 HydrophobicContact CZ2-CG1 3.49Å; W26-V28 VanDerWaalsContact CZ2-CG1 3.49Å; W26-I86 HydrophobicContact CB-CD1 3.95Å; W26-I86 HydrophobicContact CB-CG1 4.28Å; W26-I86 HydrophobicContact CE3-CD1 4.18Å; W26-A87 PolarHBondContact N-O 3.21Å; W26-G88 CarbonylContact O-C 3.49Å; W26-G88 WeakPolarHBondContact O-CA 3.43Å; W26-R89 PolarHBondContact O-N 3Å; W26-G90 WeakPolarHBondContact O-CA 3.49Å; W26-G90 PolarHBondContact O-N 2.83Å
27T92.8Very high92.9Very high43 Ų4379.9 Ų79.926%0.26442%0.42SS..EExtended strand (participates in β ladder)trans-135.9148.4168.2-164.70000108.3Y25 E38Y25-T27 HydrophobicContact CE1-CG2 3.98Å; T27-E38 WeakPolarHBondContact CG2-OE1 3.36Å; T27-E38 WeakPolarHBondContact CG2-OE2 3.28Å; T27-E38 PolarHBondContact OG1-OE1 2.91Å; T27-E38 PolarHBondContact OG1-OE2 2.88Å
28V92.3Very high92.5Very high30 Ų3078.2 Ų78.218%0.18240%0.404CS..  trans-117.7155.3175.2-55.30000109.6W26 C30 R89 G90 Y91W26-V28 HydrophobicContact CH2-CG1 4.26Å; W26-V28 HydrophobicContact CZ2-CG1 3.49Å; W26-V28 VanDerWaalsContact CZ2-CG1 3.49Å; V28-C30 PolarHBondContact O-N 3.16Å; V28-R89 PolarHBondContact O-NH2 3.3Å; V28-G90 PolarHBondContact N-O 3.44Å; V28-Y91 HydrophobicContact CG2-CD2 3.73Å; V28-Y91 HydrophobicContact CG2-CG 4.32Å
29P91.9Very high91.7Very high117 Ų11779.6 Ų79.676%0.7642%0.415SS*.  trans-51.7133173-26.735.3000111.3S31P29-S31 PolarHBondContact O-N 3.04Å
30C90.7Very high90.7Very high55 Ų5577.5 Ų77.537%0.37240%0.4SS..  trans-65.1120.9-178.9166.40000110.8V28 F32 C35V28-C30 PolarHBondContact O-N 3.16Å; C30-F32 PolarHBondContact SG-N 3.03Å; C30-F32 VanDerWaalsContact SG-N 3.42Å; C30-F32 PolarHBondContact SG-O 2.59Å; C30-C35 HydrophobicContact CB-CB 3.55Å; C30-C35 WeakPolarHBondContact CB-SG 3.3Å; C30-C35 WeakPolarHBondContact SG-CB 3.29Å; C30-C35 CovalentContact SG-SG 1.99Å; C30-C35 PolarHBondContact SG-SG 2.84Å
31S91.1Very high89.2Confident90 Ų9078.8 Ų78.863%0.62940%0.404SS*.  trans-971.6173-45.10000113.7P29P29-S31 PolarHBondContact O-N 3.04Å
32F91Very high87.9Confident92 Ų9279.2 Ų79.240%0.40441%0.411SS..SBendtrans-94.1157.6-179.2-63.6-94.7000111.3C30 Y34 Y91 P93C30-F32 PolarHBondContact SG-N 3.03Å; C30-F32 VanDerWaalsContact SG-N 3.42Å; C30-F32 PolarHBondContact SG-O 2.59Å; F32-Y34 PolarHBondContact O-N 3.39Å; F32-Y91 HydrophobicContact CE2-CD1 4.25Å; F32-Y91 AromaticContact CE2-CE1 3.89Å; F32-Y91 HydrophobicContact CE2-CE1 3.89Å; F32-Y91 WeakPolarHBondContact CE2-O 3.24Å; F32-Y91 HydrophobicContact CZ-CD1 4.5Å; F32-Y91 AromaticContact CZ-CE1 3.98Å; F32-Y91 HydrophobicContact CZ-CE1 3.98Å; F32-P93 HydrophobicContact CB-CB 4.01Å; F32-P93 HydrophobicContact CD1-CB 4.46Å; F32-P93 HydrophobicContact CD1-CG 4.27Å; F32-P93 HydrophobicContact CD2-CB 3.82Å; F32-P93 HydrophobicContact CD2-CG 4.11Å; F32-P93 HydrophobicContact CE1-CG 4.45Å; F32-P93 HydrophobicContact CE2-CB 4.45Å; F32-P93 HydrophobicContact CE2-CG 4.33Å; F32-P93 HydrophobicContact CG-CB 3.84Å; F32-P93 HydrophobicContact CG-CG 4.1Å; F32-P93 HydrophobicContact CZ-CG 4.48Å
33R89.2Confident86.6Confident215 Ų21572.3 Ų72.381%0.81138%0.38SS*.SBendtrans-56-35.3179-171.4-179.4177103.8-1113.3
34Y87.5Confident85.5Confident149 Ų14976.2 Ų76.258%0.58440%0.398SS*.SBendtrans-141127.4178-58.3-73.7000109.1F32 R94F32-Y34 PolarHBondContact O-N 3.39Å; Y34-R94 VanDerWaalsContact CB-NH2 3.26Å; Y34-R94 VanDerWaalsContact O-CZ 3.29Å; Y34-R94 PolarHBondContact O-NH2 2.79Å
35C90.6Very high85Confident33 Ų3379.5 Ų79.522%0.22341%0.41CS..  trans-127.1160.4173.2-71.80000111.1C30 P93 R94C30-C35 HydrophobicContact CB-CB 3.55Å; C30-C35 WeakPolarHBondContact CB-SG 3.3Å; C30-C35 WeakPolarHBondContact SG-CB 3.29Å; C30-C35 CovalentContact SG-SG 1.99Å; C30-C35 PolarHBondContact SG-SG 2.84Å; C35-P93 CarbonylContact C-O 3.6Å; C35-P93 WeakPolarHBondContact CA-O 3.13Å; C35-P93 WeakPolarHBondContact CB-O 3.24Å; C35-P93 WeakPolarHBondContact SG-CA 3.31Å; C35-P93 VanDerWaalsContact SG-CB 3.6Å; C35-R94 VanDerWaalsContact C-NH1 3.25Å
36D92.3Very high85Confident5 Ų574.8 Ų74.83%0.02739%0.392CS..PPolyproline II helixtrans-70.5145.9167.4-66.6-13.8000109.9I46 R57 R89 P93 R94 W95D36-I46 HydrophobicContact CB-CD1 4.15Å; D36-R57 IonicContact OD1-CZ 3.51Å; D36-R57 IonicContact OD1-NH1 3.57Å; D36-R57 PolarHBondContact OD1-NH1 2.86Å; D36-R57 IonicContact OD1-NH2 3.61Å; D36-R57 PolarHBondContact OD1-NH2 2.79Å; D36-R57 IonicContact OD2-CZ 3.47Å; D36-R57 IonicContact OD2-NH1 3.66Å; D36-R57 PolarHBondContact OD2-NH1 3.2Å; D36-R57 IonicContact OD2-NH2 3.67Å; D36-R89 PolarHBondContact O-NH1 2.91Å; D36-P93 PolarHBondContact N-O 3.25Å; D36-R94 WeakPolarHBondContact OD1-CD 3.21Å; D36-R94 IonicContact OD1-CZ 3.89Å; D36-R94 IonicContact OD1-NE 3.63Å; D36-R94 IonicContact OD1-NH1 2.9Å; D36-R94 PolarHBondContact OD1-NH1 2.74Å; D36-R94 VanDerWaalsContact OD2-CA 3.28Å; D36-R94 WeakPolarHBondContact OD2-CA 3.17Å; D36-W95 HydrophobicContact CB-CG 4.47Å; D36-W95 PolarHBondContact OD2-N 3.48Å
37P89.2Confident84.9Confident52 Ų5277.2 Ų77.234%0.33841%0.405SS..PPolyproline II helixtrans-61.3154.3176.226-33.7000111.3S42 T43 I46 W95P37-S42 VanDerWaalsContact CB-OG 3.3Å; P37-S42 WeakPolarHBondContact CB-OG 2.94Å; P37-S42 VanDerWaalsContact CG-OG 3.3Å; P37-S42 WeakPolarHBondContact CG-OG 3.36Å; P37-T43 HydrophobicContact CB-CG2 4.42Å; P37-T43 HydrophobicContact CG-CG2 3.98Å; P37-T43 WeakPolarHBondContact O-CG2 3.18Å; P37-I46 HydrophobicContact CG-CD1 4.46Å; P37-W95 PolarHBondContact O-NE1 3.01Å
38E86.2Confident84.9Confident65 Ų6576.2 Ų76.230%0.30440%0.397SS..PPolyproline II helixtrans-66.2158.9168.8-71.7-59.4152.700111.1Y25 T27 N40 T43 R89Y25-E38 PolarHBondContact OH-OE2 2.96Å; T27-E38 WeakPolarHBondContact CG2-OE1 3.36Å; T27-E38 WeakPolarHBondContact CG2-OE2 3.28Å; T27-E38 PolarHBondContact OG1-OE1 2.91Å; T27-E38 PolarHBondContact OG1-OE2 2.88Å; E38-N40 PolarHBondContact O-N 3.42Å; E38-N40 PolarHBondContact O-OD1 3.08Å; E38-T43 VanDerWaalsContact O-CG2 3.26Å; E38-T43 WeakPolarHBondContact O-CG2 3Å; E38-R89 IonicContact OE1-CZ 3.44Å; E38-R89 VanDerWaalsContact OE1-CZ 3.29Å; E38-R89 IonicContact OE1-NE 2.73Å; E38-R89 IonicContact OE1-NH1 2.91Å; E38-R89 IonicContact OE1-NH2 2.86Å; E38-R89 PolarHBondContact OE1-NH2 2.92Å; E38-R89 VanDerWaalsContact OE1-NH2 3.08Å
39V81Confident84.9Confident68 Ų6876.7 Ų76.741%0.41240%0.398SS..SBendtrans-58.3105.1-173.4-173.90000110.9Y25 T43 L76 W95Y25-V39 HydrophobicContact CE2-CG2 4.41Å; Y25-V39 WeakPolarHBondContact OH-CG2 3.18Å; V39-T43 WeakPolarHBondContact CA-OG1 3.46Å; V39-L76 HydrophobicContact CG1-CD1 4.13Å; V39-L76 HydrophobicContact CG2-CD1 3.67Å; V39-L76 HydrophobicContact CG2-CD2 3.79Å; V39-L76 HydrophobicContact CG2-CG 4.28Å; V39-W95 HydrophobicContact CG2-CH2 3.66Å; V39-W95 HydrophobicContact CG2-CZ2 3.48Å; V39-W95 VanDerWaalsContact CG2-CZ2 3.48Å
40N71.9Confident84.9Confident90 Ų9075.4 Ų75.448%0.48138%0.382SS..SBendtrans-154.4-170.3173.567.87.9000108.7E38 S42 T43E38-N40 PolarHBondContact O-N 3.42Å; E38-N40 PolarHBondContact O-OD1 3.08Å; N40-S42 PolarHBondContact O-N 2.83Å; N40-S42 VanDerWaalsContact O-N 3.07Å; N40-S42 WeakPolarHBondContact OD1-CA 3.46Å; N40-S42 VanDerWaalsContact OD1-CB 3.25Å; N40-S42 WeakPolarHBondContact OD1-CB 3.41Å; N40-S42 PolarHBondContact OD1-N 1.99Å; N40-S42 PolarHBondContact OD1-OG 2.61Å; N40-T43 PolarHBondContact N-OG1 3.26Å; N40-T43 VanDerWaalsContact N-OG1 3.15Å; N40-T43 PolarHBondContact O-N 3.42Å; N40-T43 PolarHBondContact O-OG1 3.21Å; N40-T43 PolarHBondContact OD1-N 3.22Å
41T65.3Low85Confident113 Ų11379.3 Ų79.369%0.69339%0.393SS*.THydrogen-bonded Turntrans-52.4-32.3176.3-42.10000113.3L44T41-L44 WeakPolarHBondContact O-CB 3.45Å; T41-L44 PolarHBondContact O-N 2.99Å
42S67.1Low85Confident41 Ų4175.7 Ų75.729%0.28737%0.366SS..THydrogen-bonded Turntrans-72.4-28.1179.177.20000114.2P37 N40 L44 E45P37-S42 VanDerWaalsContact CB-OG 3.3Å; P37-S42 WeakPolarHBondContact CB-OG 2.94Å; P37-S42 VanDerWaalsContact CG-OG 3.3Å; P37-S42 WeakPolarHBondContact CG-OG 3.36Å; N40-S42 PolarHBondContact O-N 2.83Å; N40-S42 VanDerWaalsContact O-N 3.07Å; N40-S42 WeakPolarHBondContact OD1-CA 3.46Å; N40-S42 VanDerWaalsContact OD1-CB 3.25Å; N40-S42 WeakPolarHBondContact OD1-CB 3.41Å; N40-S42 PolarHBondContact OD1-N 1.99Å; N40-S42 PolarHBondContact OD1-OG 2.61Å; S42-L44 PolarHBondContact O-N 2.88Å; S42-E45 WeakPolarHBondContact O-CB 3.35Å; S42-E45 PolarHBondContact O-N 2.79Å
43T68Low84.9Confident2 Ų280 Ų801%0.01238%0.38CS..G310 helixtrans-68.2-26.2171.5510000112.8P37 E38 V39 N40 E45 I46P37-T43 HydrophobicContact CB-CG2 4.42Å; P37-T43 HydrophobicContact CG-CG2 3.98Å; P37-T43 WeakPolarHBondContact O-CG2 3.18Å; E38-T43 VanDerWaalsContact O-CG2 3.26Å; E38-T43 WeakPolarHBondContact O-CG2 3Å; V39-T43 WeakPolarHBondContact CA-OG1 3.46Å; N40-T43 PolarHBondContact N-OG1 3.26Å; N40-T43 VanDerWaalsContact N-OG1 3.15Å; N40-T43 PolarHBondContact O-N 3.42Å; N40-T43 PolarHBondContact O-OG1 3.21Å; N40-T43 PolarHBondContact OD1-N 3.22Å; T43-E45 PolarHBondContact O-N 2.87Å; T43-I46 HydrophobicContact CG2-CD1 4.31Å; T43-I46 WeakPolarHBondContact O-CB 3.34Å; T43-I46 PolarHBondContact O-N 3.18Å; T43-I46 VanDerWaalsContact O-N 3.17Å
44L74.2Confident84.9Confident112 Ų11272.6 Ų72.659%0.58637%0.371SS*.G310 helixtrans-68-19.3175.6-57.2175.3000112.2T41 S42 I46T41-L44 WeakPolarHBondContact O-CB 3.45Å; T41-L44 PolarHBondContact O-N 2.99Å; S42-L44 PolarHBondContact O-N 2.88Å; L44-I46 VanDerWaalsContact C-N 3.32Å
45E86.3Confident85Confident111 Ų11167.7 Ų67.752%0.51935%0.354SS..G310 helixtrans-80.5-13.1175.6-59.5-177.7179.200113.5S42 T43 K47 R53S42-E45 WeakPolarHBondContact O-CB 3.35Å; S42-E45 PolarHBondContact O-N 2.79Å; T43-E45 PolarHBondContact O-N 2.87Å; E45-K47 PolarHBondContact O-N 3.24Å; E45-R53 IonicContact OE2-NH2 2.92Å; E45-R53 PolarHBondContact OE2-NH2 3.37Å
46I92Very high84.9Confident13 Ų1368.9 Ų68.97%0.06736%0.358CS..  trans-69.9119.8-177.2-64.9176.4000109.6D36 P37 T43 L44 F48D36-I46 HydrophobicContact CB-CD1 4.15Å; P37-I46 HydrophobicContact CG-CD1 4.46Å; T43-I46 HydrophobicContact CG2-CD1 4.31Å; T43-I46 WeakPolarHBondContact O-CB 3.34Å; T43-I46 PolarHBondContact O-N 3.18Å; T43-I46 VanDerWaalsContact O-N 3.17Å; L44-I46 VanDerWaalsContact C-N 3.32Å; I46-F48 HydrophobicContact CB-CE2 3.92Å; I46-F48 HydrophobicContact CB-CZ 3.91Å; I46-F48 HydrophobicContact CG2-CD1 4.06Å; I46-F48 HydrophobicContact CG2-CD2 4.24Å; I46-F48 HydrophobicContact CG2-CE1 3.71Å; I46-F48 HydrophobicContact CG2-CE2 3.89Å; I46-F48 HydrophobicContact CG2-CG 4.32Å; I46-F48 HydrophobicContact CG2-CZ 3.61Å; I46-F48 VanDerWaalsContact O-CD2 3.27Å; I46-F48 WeakPolarHBondContact O-CD2 3.32Å; I46-F48 PolarHBondContact O-N 2.74Å; I46-F48 VanDerWaalsContact O-N 3.12Å
47K92.8Very high84.9Confident126 Ų12669.1 Ų69.155%0.54836%0.359SS..  trans-84.988.8178.1-59.1-176.6-177179.10110.9E45 Q50 D52E45-K47 PolarHBondContact O-N 3.24Å; K47-Q50 HydrophobicContact CB-CG 3.81Å; K47-Q50 VanDerWaalsContact O-CG 3.23Å; K47-Q50 WeakPolarHBondContact O-CG 3.44Å; K47-D52 HydrophobicContact CB-CB 4.13Å
48F93.2Very high84.9Confident22 Ų2272.4 Ų72.410%0.09636%0.364CS..THydrogen-bonded Turntrans-66161.8176.6-66.9-70.9000113.5I46 Q50 Y70 V72 G75 P77 W95I46-F48 HydrophobicContact CB-CE2 3.92Å; I46-F48 HydrophobicContact CB-CZ 3.91Å; I46-F48 HydrophobicContact CG2-CD1 4.06Å; I46-F48 HydrophobicContact CG2-CD2 4.24Å; I46-F48 HydrophobicContact CG2-CE1 3.71Å; I46-F48 HydrophobicContact CG2-CE2 3.89Å; I46-F48 HydrophobicContact CG2-CG 4.32Å; I46-F48 HydrophobicContact CG2-CZ 3.61Å; I46-F48 VanDerWaalsContact O-CD2 3.27Å; I46-F48 WeakPolarHBondContact O-CD2 3.32Å; I46-F48 PolarHBondContact O-N 2.74Å; I46-F48 VanDerWaalsContact O-N 3.12Å; F48-Q50 PolarHBondContact O-N 3.47Å; F48-Q50 VanDerWaalsContact O-N 3.16Å; F48-Y70 HydrophobicContact CB-CE2 3.76Å; F48-Y70 AromaticContact CD1-CE2 3.9Å; F48-Y70 HydrophobicContact CD1-CE2 3.9Å; F48-Y70 HydrophobicContact CG-CE2 4.11Å; F48-V72 HydrophobicContact CB-CG2 3.57Å; F48-V72 HydrophobicContact CD2-CG1 3.83Å; F48-V72 HydrophobicContact CD2-CG2 4.05Å; F48-V72 HydrophobicContact CE2-CG1 4.3Å; F48-V72 HydrophobicContact CG-CG1 4.48Å; F48-V72 HydrophobicContact CG-CG2 3.88Å; F48-G75 WeakPolarHBondContact CE2-O 3.42Å; F48-P77 HydrophobicContact CD1-CB 4.38Å; F48-P77 HydrophobicContact CD1-CG 4.3Å; F48-P77 HydrophobicContact CE1-CB 4.44Å; F48-P77 HydrophobicContact CE1-CG 3.89Å; F48-P77 HydrophobicContact CZ-CG 4.47Å; F48-W95 HydrophobicContact CE1-CB 3.89Å; F48-W95 HydrophobicContact CZ-CB 4.16Å
49N92.6Very high84.9Confident39 Ų3970.8 Ų70.821%0.20936%0.357CS..THydrogen-bonded Turntrans59.816.5-178-65.6-59.2000115.6R58 Y69 Y70N49-R58 VanDerWaalsContact C-CG 3.5Å; N49-R58 VanDerWaalsContact O-CG 3.24Å; N49-R58 WeakPolarHBondContact O-CG 3.24Å; N49-Y69 HydrophobicContact CB-CD1 4.37Å; N49-Y69 VanDerWaalsContact OD1-CA 3.32Å; N49-Y69 WeakPolarHBondContact OD1-CA 3.41Å; N49-Y70 PolarHBondContact N-OH 3.25Å; N49-Y70 PolarHBondContact ND2-O 2.9Å; N49-Y70 VanDerWaalsContact OD1-CD1 3.24Å; N49-Y70 WeakPolarHBondContact OD1-CD1 3.39Å; N49-Y70 VanDerWaalsContact OD1-CE1 3.23Å; N49-Y70 WeakPolarHBondContact OD1-CE1 3.23Å; N49-Y70 PolarHBondContact OD1-N 2.91Å; N49-Y70 PolarHBondContact OD1-O 3.33Å
50Q91.9Very high84.9Confident91 Ų9172 Ų7243%0.42537%0.365SS..SBendtrans-147.6176.4176.858.8-177.561.700111.6K47 F48 R57K47-Q50 HydrophobicContact CB-CG 3.81Å; K47-Q50 VanDerWaalsContact O-CG 3.23Å; K47-Q50 WeakPolarHBondContact O-CG 3.44Å; F48-Q50 PolarHBondContact O-N 3.47Å; F48-Q50 VanDerWaalsContact O-N 3.16Å; Q50-R57 VanDerWaalsContact O-CB 3.29Å; Q50-R57 WeakPolarHBondContact O-CB 3.36Å; Q50-R57 PolarHBondContact O-N 2.93Å
51K91.3Very high84.8Confident136 Ų13675.6 Ų75.659%0.59137%0.372SS*.EExtended strand (participates in β ladder)trans-75.4126.9167.5-168177.2-178.9-179.90108.2I55K51-I55 CarbonylContact C-O 3.49Å; K51-I55 WeakPolarHBondContact CA-O 3.27Å
52D91.6Very high84.6Confident14 Ų1475.5 Ų75.58%0.07536%0.359CS..EExtended strand (participates in β ladder)trans-136.8123.2-175.2174.449.6000109.4K47 G54 I55 R57K47-D52 HydrophobicContact CB-CB 4.13Å; D52-G54 PolarHBondContact O-N 3.39Å; D52-G54 VanDerWaalsContact O-N 3.1Å; D52-I55 PolarHBondContact N-O 3.33Å; D52-I55 WeakPolarHBondContact O-CA 3.15Å; D52-I55 WeakPolarHBondContact O-CB 3.44Å; D52-I55 PolarHBondContact O-N 3.49Å; D52-R57 HydrophobicContact CB-CG 4.34Å; D52-R57 IonicContact OD2-CZ 3.29Å; D52-R57 IonicContact OD2-NE 3.55Å; D52-R57 PolarHBondContact OD2-NE 2.96Å; D52-R57 IonicContact OD2-NH2 3.08Å
53R89.2Confident84Confident182 Ų18278 Ų7869%0.68737%0.368SS*.THydrogen-bonded Turntrans47.441-179-56.6178.7-173.7-175.52.1113.6E45 I55E45-R53 IonicContact OE2-NH2 2.92Å; E45-R53 PolarHBondContact OE2-NH2 3.37Å; R53-I55 VanDerWaalsContact C-N 3.28Å; R53-I55 PolarHBondContact O-N 2.83Å
54G87.9Confident83.7Confident60 Ų6084.6 Ų84.662%0.61940%0.403SS*.THydrogen-bonded Turntrans83.8-9.9-178.600000115.5D52D52-G54 PolarHBondContact O-N 3.39Å; D52-G54 VanDerWaalsContact O-N 3.1Å
55I89.8Confident82.9Confident46 Ų4682.3 Ų82.324%0.23641%0.407CS..EExtended strand (participates in β ladder)trans-94.9126.3-179.4-58.4167000109.1K51 D52 R53 R57 R94K51-I55 CarbonylContact C-O 3.49Å; K51-I55 WeakPolarHBondContact CA-O 3.27Å; D52-I55 PolarHBondContact N-O 3.33Å; D52-I55 WeakPolarHBondContact O-CA 3.15Å; D52-I55 WeakPolarHBondContact O-CB 3.44Å; D52-I55 PolarHBondContact O-N 3.49Å; R53-I55 VanDerWaalsContact C-N 3.28Å; R53-I55 PolarHBondContact O-N 2.83Å; I55-R57 HydrophobicContact CG2-CG 4.09Å; I55-R57 PolarHBondContact O-N 3.44Å; I55-R94 VanDerWaalsContact CD1-CZ 3.45Å
56D89.5Confident81.7Confident59 Ų5980.8 Ų80.832%0.31641%0.405SS..EExtended strand (participates in β ladder)trans-80.7102.2172.6-164.3-15.3000110.2R58 H99D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 VanDerWaalsContact OD1-CB 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.45Å; D56-R58 WeakPolarHBondContact OD1-CG 3.12Å; D56-R58 IonicContact OD1-CZ 3.65Å; D56-R58 PolarHBondContact OD1-N 3.04Å; D56-R58 IonicContact OD1-NE 3.83Å; D56-R58 PolarHBondContact OD1-NE 2.97Å; D56-R58 IonicContact OD1-NH2 3.94Å; D56-R58 IonicContact OD2-CZ 3.74Å; D56-R58 IonicContact OD2-NE 3.48Å; D56-R58 PolarHBondContact OD2-NE 2.8Å; D56-R58 IonicContact OD2-NH2 2.92Å; D56-R58 PolarHBondContact OD2-NH2 2.73Å; D56-H99 PolarHBondContact O-CD2 3.47Å; D56-H99 PolarHBondContact O-NE2 2.87Å
57R91.7Very high80.2Confident10 Ų1087.7 Ų87.74%0.03843%0.434CS..  trans-88.95.6-179.7-53.3-176.6174-822.9112.5D36 Q50 D52 I55 Y70D36-R57 IonicContact OD1-CZ 3.51Å; D36-R57 IonicContact OD1-NH1 3.57Å; D36-R57 PolarHBondContact OD1-NH1 2.86Å; D36-R57 IonicContact OD1-NH2 3.61Å; D36-R57 PolarHBondContact OD1-NH2 2.79Å; D36-R57 IonicContact OD2-CZ 3.47Å; D36-R57 IonicContact OD2-NH1 3.66Å; D36-R57 PolarHBondContact OD2-NH1 3.2Å; D36-R57 IonicContact OD2-NH2 3.67Å; Q50-R57 VanDerWaalsContact O-CB 3.29Å; Q50-R57 WeakPolarHBondContact O-CB 3.36Å; Q50-R57 PolarHBondContact O-N 2.93Å; D52-R57 HydrophobicContact CB-CG 4.34Å; D52-R57 IonicContact OD2-CZ 3.29Å; D52-R57 IonicContact OD2-NE 3.55Å; D52-R57 PolarHBondContact OD2-NE 2.96Å; D52-R57 IonicContact OD2-NH2 3.08Å; I55-R57 HydrophobicContact CG2-CG 4.09Å; I55-R57 PolarHBondContact O-N 3.44Å; R57-Y70 WeakPolarHBondContact O-CE1 3.32Å; R57-Y70 VanDerWaalsContact O-CZ 3.29Å; R57-Y70 PolarHBondContact O-OH 3.45Å
58R90.1Very high79.3Confident120 Ų12084.3 Ų84.345%0.45342%0.424SS..SBendtrans-77158.4176.7-63.9171.6-63.1177.16.4110.6N49 D56 H99N49-R58 VanDerWaalsContact C-CG 3.5Å; N49-R58 VanDerWaalsContact O-CG 3.24Å; N49-R58 WeakPolarHBondContact O-CG 3.24Å; D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 VanDerWaalsContact OD1-CB 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.45Å; D56-R58 WeakPolarHBondContact OD1-CG 3.12Å; D56-R58 IonicContact OD1-CZ 3.65Å; D56-R58 PolarHBondContact OD1-N 3.04Å; D56-R58 IonicContact OD1-NE 3.83Å; D56-R58 PolarHBondContact OD1-NE 2.97Å; D56-R58 IonicContact OD1-NH2 3.94Å; D56-R58 IonicContact OD2-CZ 3.74Å; D56-R58 IonicContact OD2-NE 3.48Å; D56-R58 PolarHBondContact OD2-NE 2.8Å; D56-R58 IonicContact OD2-NH2 2.92Å; D56-R58 PolarHBondContact OD2-NH2 2.73Å; R58-H99 PolarHBondContact O-CE1 3.26Å; R58-H99 PolarHBondContact O-NE2 3.49Å
59M86.2Confident78.9Confident32 Ų3290.7 Ų90.716%0.15845%0.449CS..PPolyproline II helixtrans-67.2146.8165.4-66.8-168.8-143.500110.6R61 Y70 P80 P97M59-R61 PolarHBondContact O-N 3.33Å; M59-Y70 HydrophobicContact CE-CD1 3.69Å; M59-Y70 HydrophobicContact CE-CG 4.12Å; M59-Y70 HydrophobicContact CG-CD1 4.03Å; M59-P80 HydrophobicContact CE-CB 3.72Å; M59-P80 HydrophobicContact CE-CG 3.08Å; M59-P80 HydrophobicContact SD-CB 4.38Å; M59-P80 HydrophobicContact SD-CG 3.84Å; M59-P97 HydrophobicContact CG-CG 4.19Å
60V79.9Confident78.9Confident93 Ų9389.3 Ų89.356%0.56444%0.441SS*.PPolyproline II helixtrans-61.3131.5164.3-175.80000108R62 H99V60-R62 PolarHBondContact O-N 3.39Å; V60-H99 VanDerWaalsContact CG2-CE1 3.42Å; V60-H99 WeakPolarHBondContact CG2-CE1 3.48Å; V60-H99 VanDerWaalsContact CG2-ND1 3.27Å; V60-H99 WeakPolarHBondContact CG2-ND1 3.25Å
61R69.7Low78.9Confident166 Ų16689.8 Ų89.863%0.62644%0.443SS*.  trans-50.9113.2177.9-161.7-178.991.689.7-2.6110M59M59-R61 PolarHBondContact O-N 3.33Å
62R61.7Low79Confident111 Ų11186 Ų8642%0.41943%0.431SS..  trans-66.8144.5170-61.8-142.9-156.2-169.59.9108.6V60 N64V60-R62 PolarHBondContact O-N 3.39Å; R62-N64 PolarHBondContact O-N 3.35Å
63L54.8Low78.9Confident92 Ų9290.5 Ų90.548%0.48245%0.447SS..THydrogen-bonded Turntrans-60.1-27.7178.7-80.1162.3000112.5G65L63-G65 PolarHBondContact O-N 3.39Å
64N61.7Low78.9Confident141 Ų14188.8 Ų88.875%0.75445%0.452SS*.THydrogen-bonded Turntrans-95.415.9-165.8-54.213.9000113.3R62 V66R62-N64 PolarHBondContact O-N 3.35Å; N64-V66 HydrophobicContact CB-CG2 4.35Å; N64-V66 PolarHBondContact O-N 3.06Å; N64-V66 VanDerWaalsContact O-N 3.09Å
65G57.2Low79Confident65 Ų6586.9 Ų86.967%0.6743%0.432SS*.  trans69.45.4177.500000115.9L63L63-G65 PolarHBondContact O-N 3.39Å
66V60Low79.1Confident78 Ų7886.4 Ų86.447%0.47343%0.43SS..  trans-59.4143.4176.5-179.70000110.5N64 T68N64-V66 HydrophobicContact CB-CG2 4.35Å; N64-V66 PolarHBondContact O-N 3.06Å; N64-V66 VanDerWaalsContact O-N 3.09Å; V66-T68 PolarHBondContact O-N 2.78Å
67K60.4Low79.3Confident158 Ų15884.7 Ų84.769%0.68742%0.422SS*.  trans-30.4123.4179.3-78.4-174171.7-172.30112.1Y69K67-Y69 PolarHBondContact O-N 2.92Å
68T74.1Confident79.4Confident55 Ų5585.5 Ų85.534%0.33743%0.427SS..SBendtrans-78.9-5-179.741.70000113.9V66V66-T68 PolarHBondContact O-N 2.78Å
69Y86.4Confident79.6Confident157 Ų15782.6 Ų82.662%0.61642%0.421SS*.  trans-119.9143.6-171.9-36.2-81.8000110.4N49 K67N49-Y69 HydrophobicContact CB-CD1 4.37Å; N49-Y69 VanDerWaalsContact OD1-CA 3.32Å; N49-Y69 WeakPolarHBondContact OD1-CA 3.41Å; K67-Y69 PolarHBondContact O-N 2.92Å
70Y91.4Very high79.8Confident10 Ų1084.4 Ų84.44%0.03944%0.435CS..  trans-99.5150.6167.643.3-85.2000110F48 N49 R57 M59 V72 P77 P97F48-Y70 HydrophobicContact CB-CE2 3.76Å; F48-Y70 AromaticContact CD1-CE2 3.9Å; F48-Y70 HydrophobicContact CD1-CE2 3.9Å; F48-Y70 HydrophobicContact CG-CE2 4.11Å; N49-Y70 PolarHBondContact N-OH 3.25Å; N49-Y70 PolarHBondContact ND2-O 2.9Å; N49-Y70 VanDerWaalsContact OD1-CD1 3.24Å; N49-Y70 WeakPolarHBondContact OD1-CD1 3.39Å; N49-Y70 VanDerWaalsContact OD1-CE1 3.23Å; N49-Y70 WeakPolarHBondContact OD1-CE1 3.23Å; N49-Y70 PolarHBondContact OD1-N 2.91Å; N49-Y70 PolarHBondContact OD1-O 3.33Å; R57-Y70 WeakPolarHBondContact O-CE1 3.32Å; R57-Y70 VanDerWaalsContact O-CZ 3.29Å; R57-Y70 PolarHBondContact O-OH 3.45Å; M59-Y70 HydrophobicContact CE-CD1 3.69Å; M59-Y70 HydrophobicContact CE-CG 4.12Å; M59-Y70 HydrophobicContact CG-CD1 4.03Å; Y70-V72 HydrophobicContact CD2-CG2 3.95Å; Y70-V72 HydrophobicContact CE2-CG2 3.89Å; Y70-P77 HydrophobicContact CD2-CB 3.43Å; Y70-P77 VanDerWaalsContact CD2-CB 3.43Å; Y70-P77 HydrophobicContact CE2-CB 3.42Å; Y70-P77 VanDerWaalsContact CE2-CB 3.42Å; Y70-P77 HydrophobicContact CG-CB 4.42Å; Y70-P97 HydrophobicContact CD1-CG 3.94Å; Y70-P97 VanDerWaalsContact CE1-CD 3.49Å; Y70-P97 HydrophobicContact CE1-CG 3.46Å; Y70-P97 VanDerWaalsContact CE1-CG 3.46Å
71E93.1Very high80.3Confident100 Ų10085.7 Ų85.747%0.46744%0.438SS..  trans-70140.8170.7-171.7178.1145.100109.5R73 L78E71-R73 IonicContact OE1-CZ 3.62Å; E71-R73 IonicContact OE1-NE 3Å; E71-R73 PolarHBondContact OE1-NE 3.21Å; E71-R73 IonicContact OE1-NH2 2.74Å; E71-R73 PolarHBondContact OE1-NH2 3.44Å; E71-L78 HydrophobicContact CB-CB 4.5Å; E71-L78 HydrophobicContact CB-CD1 4.19Å; E71-L78 HydrophobicContact CG-CD1 4.09Å; E71-L78 PolarHBondContact O-N 2.93Å
72V92.6Very high81.5Confident56 Ų5677.9 Ų77.934%0.33941%0.408SS..EExtended strand (participates in β ladder)trans-114.5122.2173.5179.70000106.6F48 Y70 L76F48-V72 HydrophobicContact CB-CG2 3.57Å; F48-V72 HydrophobicContact CD2-CG1 3.83Å; F48-V72 HydrophobicContact CD2-CG2 4.05Å; F48-V72 HydrophobicContact CE2-CG1 4.3Å; F48-V72 HydrophobicContact CG-CG1 4.48Å; F48-V72 HydrophobicContact CG-CG2 3.88Å; Y70-V72 HydrophobicContact CD2-CG2 3.95Å; Y70-V72 HydrophobicContact CE2-CG2 3.89Å; V72-L76 CarbonylContact C-O 3.49Å; V72-L76 VanDerWaalsContact CA-O 3.3Å; V72-L76 WeakPolarHBondContact CA-O 3.25Å
73R90.6Very high83.1Confident109 Ų10973.4 Ų73.441%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-126.3133.7-179.5-173.9179.5-64.9-171.11.1108.9E71 G75 L76 L78E71-R73 IonicContact OE1-CZ 3.62Å; E71-R73 IonicContact OE1-NE 3Å; E71-R73 PolarHBondContact OE1-NE 3.21Å; E71-R73 IonicContact OE1-NH2 2.74Å; E71-R73 PolarHBondContact OE1-NH2 3.44Å; R73-G75 PolarHBondContact O-N 3.24Å; R73-L76 PolarHBondContact N-O 2.69Å; R73-L76 PolarHBondContact O-N 2.91Å; R73-L76 VanDerWaalsContact O-O 3.13Å; R73-L78 HydrophobicContact CB-CD1 4Å; R73-L78 HydrophobicContact CB-CD2 4.2Å; R73-L78 HydrophobicContact CB-CG 4.1Å
74N87.8Confident85.1Confident146 Ų14671.9 Ų71.978%0.78139%0.386SS*.THydrogen-bonded Turntrans51.439.9-177-56.6-19.1000112.6L76N74-L76 VanDerWaalsContact C-N 3.26Å; N74-L76 PolarHBondContact O-N 3.5Å
75G89.9Confident86.8Confident20 Ų2065.2 Ų65.221%0.20635%0.35CS..THydrogen-bonded Turntrans74.36.2-178.600000115.6F48 R73F48-G75 WeakPolarHBondContact CE2-O 3.42Å; R73-G75 PolarHBondContact O-N 3.24Å
76L92.4Very high88.6Confident36 Ų3663.5 Ų63.519%0.18833%0.326CS..EExtended strand (participates in β ladder)trans-125.3144.8-177.7-64.5170.3000113.2V39 V72 R73 N74 W95V39-L76 HydrophobicContact CG1-CD1 4.13Å; V39-L76 HydrophobicContact CG2-CD1 3.67Å; V39-L76 HydrophobicContact CG2-CD2 3.79Å; V39-L76 HydrophobicContact CG2-CG 4.28Å; V72-L76 CarbonylContact C-O 3.49Å; V72-L76 VanDerWaalsContact CA-O 3.3Å; V72-L76 WeakPolarHBondContact CA-O 3.25Å; R73-L76 PolarHBondContact N-O 2.69Å; R73-L76 PolarHBondContact O-N 2.91Å; R73-L76 VanDerWaalsContact O-O 3.13Å; N74-L76 VanDerWaalsContact C-N 3.26Å; N74-L76 PolarHBondContact O-N 3.5Å; L76-W95 HydrophobicContact CD2-CD2 3.86Å; L76-W95 HydrophobicContact CD2-CE3 3.86Å; L76-W95 HydrophobicContact CD2-CG 4.33Å; L76-W95 HydrophobicContact CD2-CH2 4.49Å; L76-W95 HydrophobicContact CD2-CZ3 4.16Å
77P94.2Very high90.2Very high24 Ų2461.4 Ų61.416%0.15632%0.317CS..EExtended strand (participates in β ladder)trans-73.5130.8-179.829.5-33.4000111.4F48 Y70 W95 G96F48-P77 HydrophobicContact CD1-CB 4.38Å; F48-P77 HydrophobicContact CD1-CG 4.3Å; F48-P77 HydrophobicContact CE1-CB 4.44Å; F48-P77 HydrophobicContact CE1-CG 3.89Å; F48-P77 HydrophobicContact CZ-CG 4.47Å; Y70-P77 HydrophobicContact CD2-CB 3.43Å; Y70-P77 VanDerWaalsContact CD2-CB 3.43Å; Y70-P77 HydrophobicContact CE2-CB 3.42Å; Y70-P77 VanDerWaalsContact CE2-CB 3.42Å; Y70-P77 HydrophobicContact CG-CB 4.42Å; P77-W95 HydrophobicContact CG-CB 4.1Å; P77-G96 VanDerWaalsContact CG-CA 3.4Å; P77-G96 VanDerWaalsContact CG-N 3.3Å
78L94Very high91.8Very high26 Ų2655.4 Ų55.414%0.13630%0.299CS..PPolyproline II helixtrans-82.7143.7171.5-61.8-175.5000110.7W14 E71 R73 P80W14-L78 HydrophobicContact CD2-CB 4.48Å; W14-L78 HydrophobicContact CD2-CD1 3.96Å; W14-L78 HydrophobicContact CE3-CD1 4.23Å; W14-L78 HydrophobicContact CG-CD1 4.17Å; W14-L78 HydrophobicContact CH2-CD2 3.96Å; W14-L78 HydrophobicContact CZ2-CB 4.19Å; W14-L78 HydrophobicContact CZ2-CD2 3.98Å; W14-L78 HydrophobicContact CZ3-CD2 4.25Å; E71-L78 HydrophobicContact CB-CB 4.5Å; E71-L78 HydrophobicContact CB-CD1 4.19Å; E71-L78 HydrophobicContact CG-CD1 4.09Å; E71-L78 PolarHBondContact O-N 2.93Å; R73-L78 HydrophobicContact CB-CD1 4Å; R73-L78 HydrophobicContact CB-CD2 4.2Å; R73-L78 HydrophobicContact CB-CG 4.1Å; L78-P80 WeakPolarHBondContact O-CD 3.49Å
79N94.1Very high92.6Very high60 Ų6053.7 Ų53.732%0.32129%0.287SS..PPolyproline II helixtrans-61.8121.9172.9175.711.3000109.8W14 L81 G82 T84W14-N79 PolarHBondContact NE1-O 2.86Å; N79-L81 PolarHBondContact O-N 3.1Å; N79-L81 PolarHBondContact OD1-N 3.3Å; N79-L81 VanDerWaalsContact OD1-N 3.07Å; N79-G82 WeakPolarHBondContact CB-O 3.3Å; N79-G82 PolarHBondContact ND2-O 3.12Å; N79-G82 VanDerWaalsContact ND2-O 3.09Å; N79-G82 PolarHBondContact O-N 2.87Å; N79-T84 VanDerWaalsContact ND2-CG2 3.25Å; N79-T84 WeakPolarHBondContact ND2-CG2 3.45Å
80P90.8Very high93Very high70 Ų7046.7 Ų46.746%0.45526%0.262SS..THydrogen-bonded Turntrans-61.7-20.2-178.6-22.534000114.4M59 L78M59-P80 HydrophobicContact CE-CB 3.72Å; M59-P80 HydrophobicContact CE-CG 3.08Å; M59-P80 HydrophobicContact SD-CB 4.38Å; M59-P80 HydrophobicContact SD-CG 3.84Å; L78-P80 WeakPolarHBondContact O-CD 3.49Å
81L89.5Confident93Very high120 Ų12052.7 Ų52.763%0.62829%0.286SS*.THydrogen-bonded Turntrans-90.20.5179.2-62.9-179.3000113.6N79N79-L81 PolarHBondContact O-N 3.1Å; N79-L81 PolarHBondContact OD1-N 3.3Å; N79-L81 VanDerWaalsContact OD1-N 3.07Å
82G94Very high93Very high1 Ų152.1 Ų52.11%0.0129%0.285CS..  trans103.9-171.317900000114.3V12 N79V12-G82 CarbonylContact O-C 3.58Å; V12-G82 WeakPolarHBondContact O-CA 3.3Å; N79-G82 WeakPolarHBondContact CB-O 3.3Å; N79-G82 PolarHBondContact ND2-O 3.12Å; N79-G82 VanDerWaalsContact ND2-O 3.09Å; N79-G82 PolarHBondContact O-N 2.87Å
83R96.6Very high93Very high18 Ų1850.2 Ų50.27%0.06827%0.274CS..  trans-65.2141.2179.5-66.6179.8-177.489.40.7110.8V7 L11 V12 P13 W14 Q16 Y21V7-R83 HydrophobicContact CG1-CB 3.93Å; V7-R83 HydrophobicContact CG2-CB 4.24Å; L11-R83 WeakPolarHBondContact O-CD 3.48Å; L11-R83 PolarHBondContact O-NH1 3.07Å; V12-R83 PolarHBondContact O-N 3.32Å; P13-R83 PolarHBondContact O-NH1 3.12Å; W14-R83 HydrophobicContact CD2-CG 4.25Å; W14-R83 HydrophobicContact CE3-CG 3.82Å; W14-R83 HydrophobicContact CH2-CG 3.76Å; W14-R83 HydrophobicContact CZ2-CG 4.18Å; W14-R83 HydrophobicContact CZ3-CG 3.56Å; Q16-R83 PolarHBondContact O-NH1 3.03Å; Q16-R83 PolarHBondContact O-NH2 3.37Å; Y21-R83 HydrophobicContact CD1-CG 4.15Å; Y21-R83 HydrophobicContact CE1-CB 4.15Å; Y21-R83 HydrophobicContact CE1-CG 3.7Å; Y21-R83 HydrophobicContact CE2-CB 4.03Å; Y21-R83 HydrophobicContact CE2-CG 4.29Å
84T95.9Very high93.1Very high60 Ų6047.3 Ų47.337%0.36826%0.263SS..  trans-124.3-0.2-176.750.30000113.6Y21 N79 I86Y21-T84 PolarHBondContact OH-N 2.86Å; N79-T84 VanDerWaalsContact ND2-CG2 3.25Å; N79-T84 WeakPolarHBondContact ND2-CG2 3.45Å; T84-I86 VanDerWaalsContact C-N 3.32Å; T84-I86 PolarHBondContact O-N 3.47Å; T84-I86 PolarHBondContact OG1-O 3.05Å
85G97Very high93.3Very high0 Ų041 Ų410%023%0.228CC..SBendtrans799.5-176.800000115R4 T5 Y21 P24R4-G85 CarbonylContact C-O 3.51Å; R4-G85 VanDerWaalsContact CA-O 3.24Å; R4-G85 WeakPolarHBondContact CA-O 3.42Å; R4-G85 WeakPolarHBondContact CB-O 3.21Å; T5-G85 PolarHBondContact N-O 3.27Å; T5-G85 WeakPolarHBondContact O-CA 3.49Å; Y21-G85 PolarHBondContact OH-N 3Å; P24-G85 WeakPolarHBondContact CD-O 3.41Å
86I96Very high93.4Very high29 Ų2941.8 Ų41.815%0.14924%0.236CC..  trans-148.8148.6178.2-164.5168.3000110M1 P2 R4 P24 W26 T84M1-I86 HydrophobicContact CE-CD1 3.95Å; M1-I86 HydrophobicContact CG-CD1 4.42Å; P2-I86 HydrophobicContact CG-CD1 3.98Å; R4-I86 HydrophobicContact CG-CB 4.24Å; P24-I86 WeakPolarHBondContact O-CG1 3.26Å; W26-I86 HydrophobicContact CB-CD1 3.95Å; W26-I86 HydrophobicContact CB-CG1 4.28Å; W26-I86 HydrophobicContact CE3-CD1 4.18Å; T84-I86 VanDerWaalsContact C-N 3.32Å; T84-I86 PolarHBondContact O-N 3.47Å; T84-I86 PolarHBondContact OG1-O 3.05Å
87A94.1Very high93.3Very high35 Ų3541.6 Ų41.629%0.28924%0.238SC..EExtended strand (participates in β ladder)trans-125170.4177.100000111.5P23 P24 Y25 W26P23-A87 HydrophobicContact CB-CB 4.33Å; P23-A87 HydrophobicContact CG-CB 3.94Å; P24-A87 PolarHBondContact O-N 2.91Å; Y25-A87 HydrophobicContact CD2-CB 4.25Å; W26-A87 PolarHBondContact N-O 3.21Å
88G93.2Very high93.1Very high31 Ų3143 Ų4332%0.3225%0.246SC..EExtended strand (participates in β ladder)trans98.1175.2-179.700000113.9W26 G90W26-G88 CarbonylContact O-C 3.49Å; W26-G88 WeakPolarHBondContact O-CA 3.43Å; G88-G90 VanDerWaalsContact C-N 3.3Å
89R92.3Very high92.7Very high20 Ų2045.7 Ų45.78%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-74.3-25.4-176.8-167.5-174.363.9-160.3-11.7111.9W26 V28 D36 E38 L92 W95W26-R89 PolarHBondContact O-N 3Å; V28-R89 PolarHBondContact O-NH2 3.3Å; D36-R89 PolarHBondContact O-NH1 2.91Å; E38-R89 IonicContact OE1-CZ 3.44Å; E38-R89 VanDerWaalsContact OE1-CZ 3.29Å; E38-R89 IonicContact OE1-NE 2.73Å; E38-R89 IonicContact OE1-NH1 2.91Å; E38-R89 IonicContact OE1-NH2 2.86Å; E38-R89 PolarHBondContact OE1-NH2 2.92Å; E38-R89 VanDerWaalsContact OE1-NH2 3.08Å; R89-L92 WeakPolarHBondContact CD-O 3.4Å; R89-L92 VanDerWaalsContact CG-O 3.25Å; R89-L92 WeakPolarHBondContact CG-O 3.39Å; R89-L92 PolarHBondContact NE-O 2.94Å; R89-W95 HydrophobicContact CB-CD2 4.21Å; R89-W95 HydrophobicContact CB-CE3 4.08Å; R89-W95 HydrophobicContact CB-CH2 3.62Å; R89-W95 HydrophobicContact CB-CZ2 3.75Å; R89-W95 HydrophobicContact CB-CZ3 3.82Å; R89-W95 HydrophobicContact CG-CD2 4.35Å
90G93.2Very high92.1Very high9 Ų949.5 Ų49.59%0.09328%0.277CS..EExtended strand (participates in β ladder)trans60.4-140.6-168.500000111.6W26 V28 G88W26-G90 WeakPolarHBondContact O-CA 3.49Å; W26-G90 PolarHBondContact O-N 2.83Å; V28-G90 PolarHBondContact N-O 3.44Å; G88-G90 VanDerWaalsContact C-N 3.3Å
91Y92.5Very high91.5Very high137 Ų13751.3 Ų51.354%0.53729%0.286SS..THydrogen-bonded Turntrans-81.9-11.9-179.3-172.7-95.1000114.3V28 F32V28-Y91 HydrophobicContact CG2-CD2 3.73Å; V28-Y91 HydrophobicContact CG2-CG 4.32Å; F32-Y91 HydrophobicContact CE2-CD1 4.25Å; F32-Y91 AromaticContact CE2-CE1 3.89Å; F32-Y91 HydrophobicContact CE2-CE1 3.89Å; F32-Y91 WeakPolarHBondContact CE2-O 3.24Å; F32-Y91 HydrophobicContact CZ-CD1 4.5Å; F32-Y91 AromaticContact CZ-CE1 3.98Å; F32-Y91 HydrophobicContact CZ-CE1 3.98Å
92L92.7Very high90.9Very high88 Ų8853.7 Ų53.746%0.46129%0.292SS..SBendtrans-74.6152.4-173.4-63.8175.3000111.5R89 R94 T98R89-L92 WeakPolarHBondContact CD-O 3.4Å; R89-L92 VanDerWaalsContact CG-O 3.25Å; R89-L92 WeakPolarHBondContact CG-O 3.39Å; R89-L92 PolarHBondContact NE-O 2.94Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.45Å; L92-T98 HydrophobicContact CD2-CG2 4.4Å
93P92.3Very high89.9Confident16 Ų1658.1 Ų58.110%0.10432%0.318CS..SBendtrans-72.1-18.3-179.524.5-30.8000114.1F32 C35 D36 T98F32-P93 HydrophobicContact CB-CB 4.01Å; F32-P93 HydrophobicContact CD1-CB 4.46Å; F32-P93 HydrophobicContact CD1-CG 4.27Å; F32-P93 HydrophobicContact CD2-CB 3.82Å; F32-P93 HydrophobicContact CD2-CG 4.11Å; F32-P93 HydrophobicContact CE1-CG 4.45Å; F32-P93 HydrophobicContact CE2-CB 4.45Å; F32-P93 HydrophobicContact CE2-CG 4.33Å; F32-P93 HydrophobicContact CG-CB 3.84Å; F32-P93 HydrophobicContact CG-CG 4.1Å; F32-P93 HydrophobicContact CZ-CG 4.48Å; C35-P93 CarbonylContact C-O 3.6Å; C35-P93 WeakPolarHBondContact CA-O 3.13Å; C35-P93 WeakPolarHBondContact CB-O 3.24Å; C35-P93 WeakPolarHBondContact SG-CA 3.31Å; C35-P93 VanDerWaalsContact SG-CB 3.6Å; D36-P93 PolarHBondContact N-O 3.25Å; P93-T98 HydrophobicContact CG-CG2 4.22Å
94R92.4Very high88.8Confident47 Ų4762.5 Ų62.518%0.17734%0.342CS..SBendtrans-130.7150-167.2-52.7-60.9171.8-175.61.8112.6Y34 C35 D36 I55 L92Y34-R94 VanDerWaalsContact CB-NH2 3.26Å; Y34-R94 VanDerWaalsContact O-CZ 3.29Å; Y34-R94 PolarHBondContact O-NH2 2.79Å; C35-R94 VanDerWaalsContact C-NH1 3.25Å; D36-R94 WeakPolarHBondContact OD1-CD 3.21Å; D36-R94 IonicContact OD1-CZ 3.89Å; D36-R94 IonicContact OD1-NE 3.63Å; D36-R94 IonicContact OD1-NH1 2.9Å; D36-R94 PolarHBondContact OD1-NH1 2.74Å; D36-R94 VanDerWaalsContact OD2-CA 3.28Å; D36-R94 WeakPolarHBondContact OD2-CA 3.17Å; I55-R94 VanDerWaalsContact CD1-CZ 3.45Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.45Å
95W92.8Very high87.6Confident13 Ų1364.2 Ų64.25%0.04935%0.348CS..SBendtrans-74.9129.7167.6-68.6109.5000110.4Y25 D36 P37 V39 F48 L76 P77 R89Y25-W95 HydrophobicContact CE2-CH2 4.37Å; Y25-W95 WeakPolarHBondContact OH-CH2 3.47Å; D36-W95 HydrophobicContact CB-CG 4.47Å; D36-W95 PolarHBondContact OD2-N 3.48Å; P37-W95 PolarHBondContact O-NE1 3.01Å; V39-W95 HydrophobicContact CG2-CH2 3.66Å; V39-W95 HydrophobicContact CG2-CZ2 3.48Å; V39-W95 VanDerWaalsContact CG2-CZ2 3.48Å; F48-W95 HydrophobicContact CE1-CB 3.89Å; F48-W95 HydrophobicContact CZ-CB 4.16Å; L76-W95 HydrophobicContact CD2-CD2 3.86Å; L76-W95 HydrophobicContact CD2-CE3 3.86Å; L76-W95 HydrophobicContact CD2-CG 4.33Å; L76-W95 HydrophobicContact CD2-CH2 4.49Å; L76-W95 HydrophobicContact CD2-CZ3 4.16Å; P77-W95 HydrophobicContact CG-CB 4.1Å; R89-W95 HydrophobicContact CB-CD2 4.21Å; R89-W95 HydrophobicContact CB-CE3 4.08Å; R89-W95 HydrophobicContact CB-CH2 3.62Å; R89-W95 HydrophobicContact CB-CZ2 3.75Å; R89-W95 HydrophobicContact CB-CZ3 3.82Å; R89-W95 HydrophobicContact CG-CD2 4.35Å
96G92.6Very high86.2Confident37 Ų3766.9 Ų66.938%0.38136%0.363SS..SBendtrans79.5-139.6178.400000112.5P77 T98P77-G96 VanDerWaalsContact CG-CA 3.4Å; P77-G96 VanDerWaalsContact CG-N 3.3Å; G96-T98 PolarHBondContact O-N 3.01Å
97P90.1Very high84.8Confident33 Ų3377.1 Ų77.121%0.21440%0.399CS..  trans-59.1125.4-177.7-24.234.4000112.8M59 Y70M59-P97 HydrophobicContact CG-CG 4.19Å; Y70-P97 HydrophobicContact CD1-CG 3.94Å; Y70-P97 VanDerWaalsContact CE1-CD 3.49Å; Y70-P97 HydrophobicContact CE1-CG 3.46Å; Y70-P97 VanDerWaalsContact CE1-CG 3.46Å
98T89.8Confident83.3Confident53 Ų5382.4 Ų82.433%0.32542%0.416SS..  trans-112.5113.4168.4-61.60000108.9L92 P93 G96L92-T98 HydrophobicContact CD2-CG2 4.4Å; P93-T98 HydrophobicContact CG-CG2 4.22Å; G96-T98 PolarHBondContact O-N 3.01Å
99H85.2Confident81.8Confident82 Ų8285.9 Ų85.938%0.3843%0.434SS..  trans-91.2124.7-179.7-57.5-52.4000110.4D56 R58 V60D56-H99 PolarHBondContact O-CD2 3.47Å; D56-H99 PolarHBondContact O-NE2 2.87Å; R58-H99 PolarHBondContact O-CE1 3.26Å; R58-H99 PolarHBondContact O-NE2 3.49Å; V60-H99 VanDerWaalsContact CG2-CE1 3.42Å; V60-H99 WeakPolarHBondContact CG2-CE1 3.48Å; V60-H99 VanDerWaalsContact CG2-ND1 3.27Å; V60-H99 WeakPolarHBondContact CG2-ND1 3.25Å
100L80.3Confident80.7Confident141 Ų14193.7 Ų93.774%0.73847%0.468SS*.  trans-113.6119.9170.2179.965.4000108.9K102L100-K102 HydrophobicContact CG-CG 4.45Å
101V78.4Confident79.7Confident107 Ų107104.1 Ų104.165%0.64851%0.505SS*.  trans-109.7118.5174.5-176.60000108.2V103V101-V103 HydrophobicContact CG1-CG2 4.27Å
102K76.7Confident78.6Confident170 Ų17099.4 Ų99.474%0.73949%0.488SS*.  trans-102.7117.4170.1-67.1-172177.5-175.30108.4L100L100-K102 HydrophobicContact CG-CG 4.45Å
103V74.8Confident77.4Confident94 Ų9496.5 Ų96.557%0.5747%0.474SS*.  trans-94.1120172.7-176.90000107.7V101 L105V101-V103 HydrophobicContact CG1-CG2 4.27Å; V103-L105 HydrophobicContact CG1-CD2 3.82Å; V103-L105 HydrophobicContact CG1-CG 4.1Å
104I72.4Confident76.4Confident110 Ų110101 Ų10156%0.56449%0.492SS*.  trans-108.4115.8175.7-56.1177.1000107.3L106 W128I104-L106 HydrophobicContact CG2-CD2 4.26Å; I104-L106 HydrophobicContact CG2-CG 4.11Å; I104-W128 HydrophobicContact CG2-CE3 4.41Å; I104-W128 HydrophobicContact CG2-CH2 3.91Å; I104-W128 HydrophobicContact CG2-CZ3 3.48Å; I104-W128 VanDerWaalsContact CG2-CZ3 3.48Å
105L70.3Confident75.6Confident96 Ų96100.2 Ų100.250%0.50350%0.496SS..  trans-97.9119178.8-60.4175.5000108.6V103 M140V103-L105 HydrophobicContact CG1-CD2 3.82Å; V103-L105 HydrophobicContact CG1-CG 4.1Å; L105-M140 HydrophobicContact CB-SD 3.75Å; L105-M140 HydrophobicContact CD1-CB 3.79Å; L105-M140 HydrophobicContact CD1-CG 3.79Å; L105-M140 HydrophobicContact CD1-SD 3.25Å; L105-M140 WeakPolarHBondContact CD1-SD 3.14Å; L105-M140 HydrophobicContact CG-SD 4.11Å
106L68.2Low74.6Confident57 Ų57100.2 Ų100.230%0.29850%0.497SS..  trans-116.9118.8-178.4-69.1173.8000109.3I104 K108 F112 C113 W128I104-L106 HydrophobicContact CG2-CD2 4.26Å; I104-L106 HydrophobicContact CG2-CG 4.11Å; L106-K108 PolarHBondContact O-N 2.77Å; L106-F112 HydrophobicContact CD2-CE1 4.21Å; L106-C113 VanDerWaalsContact CB-SG 3.6Å; L106-C113 HydrophobicContact CD1-CB 3.97Å; L106-W128 HydrophobicContact CD2-CH2 4Å; L106-W128 HydrophobicContact CD2-CZ3 3.61Å
107R65.7Low73.6Confident244 Ų244105.2 Ų105.292%0.92151%0.512SS*.  trans-93.166.7170-169.6-177.1-179.3-179.10.4110
108K63.9Low72.8Confident145 Ų145109.5 Ų109.563%0.6353%0.529SS*.SBendtrans-150.8165.2169-74.9-148.2177.2-165.50111.7L106 F112L106-K108 PolarHBondContact O-N 2.77Å; K108-F112 HydrophobicContact CB-CB 4.1Å; K108-F112 HydrophobicContact CB-CD1 3.79Å; K108-F112 HydrophobicContact CB-CG 4.14Å; K108-F112 HydrophobicContact CG-CD1 4.49Å
109C61.8Low72.2Confident104 Ų104109.9 Ų109.970%0.70353%0.53SS*.  trans-49.8144.3-175.7-63.80000112.7R111 F112C109-R111 PolarHBondContact O-N 3.34Å; C109-F112 WeakPolarHBondContact O-CB 2.92Å; C109-F112 PolarHBondContact O-N 2.98Å
110K68.1Low71.5Confident184 Ų184116.2 Ų116.280%0.855%0.55SS**Hα-helixtrans-43.3-33.6179.3-172.1176.6-180179.70115K114K110-K114 WeakPolarHBondContact O-CB 3.27Å; K110-K114 PolarHBondContact O-N 2.74Å; K110-K114 VanDerWaalsContact O-N 3.15Å
111R71.9Confident71.3Confident228 Ų228115.4 Ų115.486%0.8655%0.547SS*.Hα-helixtrans-63.8-40.5175.5-72.1-174.4179.8175.70.4112.9C109 K114 A115C109-R111 PolarHBondContact O-N 3.34Å; R111-K114 PolarHBondContact O-N 3.01Å; R111-A115 PolarHBondContact O-N 3.09Å
112F70.2Confident71Confident39 Ų39113 Ų11317%0.17153%0.529CS..Hα-helixtrans-65.9-49.6178.7-178.3-106.2000111.6L106 K108 C109 K114 A115 V116 Y126L106-F112 HydrophobicContact CD2-CE1 4.21Å; K108-F112 HydrophobicContact CB-CB 4.1Å; K108-F112 HydrophobicContact CB-CD1 3.79Å; K108-F112 HydrophobicContact CB-CG 4.14Å; K108-F112 HydrophobicContact CG-CD1 4.49Å; C109-F112 WeakPolarHBondContact O-CB 2.92Å; C109-F112 PolarHBondContact O-N 2.98Å; F112-K114 PolarHBondContact O-N 3.05Å; F112-A115 PolarHBondContact O-N 3.06Å; F112-A115 VanDerWaalsContact O-N 3.12Å; F112-V116 HydrophobicContact CD1-CG2 4.18Å; F112-V116 HydrophobicContact CD2-CG2 4.19Å; F112-V116 HydrophobicContact CE1-CG2 3.68Å; F112-V116 HydrophobicContact CE2-CG2 3.63Å; F112-V116 HydrophobicContact CG-CG2 4.43Å; F112-V116 HydrophobicContact CZ-CG2 3.38Å; F112-V116 WeakPolarHBondContact O-CG2 3.42Å; F112-V116 PolarHBondContact O-N 3.41Å; F112-Y126 HydrophobicContact CE2-CD2 4.06Å; F112-Y126 AromaticContact CE2-CE1 3.85Å; F112-Y126 HydrophobicContact CE2-CE1 3.85Å; F112-Y126 AromaticContact CE2-CE2 3.31Å; F112-Y126 HydrophobicContact CE2-CE2 3.31Å; F112-Y126 AromaticContact CE2-CZ 3.18Å; F112-Y126 WeakPolarHBondContact CE2-OH 3.42Å; F112-Y126 AromaticContact CZ-CD1 3.9Å; F112-Y126 HydrophobicContact CZ-CD1 3.9Å; F112-Y126 AromaticContact CZ-CD2 3.92Å; F112-Y126 HydrophobicContact CZ-CD2 3.92Å; F112-Y126 AromaticContact CZ-CE1 3.55Å; F112-Y126 HydrophobicContact CZ-CE1 3.55Å; F112-Y126 AromaticContact CZ-CE2 3.59Å; F112-Y126 HydrophobicContact CZ-CE2 3.59Å; F112-Y126 HydrophobicContact CZ-CG 4.07Å; F112-Y126 AromaticContact CZ-CZ 3.39Å
113C67.5Low70.7Confident27 Ų27105.9 Ų105.918%0.18250%0.502CS..Hα-helixtrans-58.1-40.4177.5-54.50000111.5L106 M117L106-C113 VanDerWaalsContact CB-SG 3.6Å; L106-C113 HydrophobicContact CD1-CB 3.97Å; C113-M117 WeakPolarHBondContact O-CB 3.21Å; C113-M117 WeakPolarHBondContact O-CE 3.42Å; C113-M117 VanDerWaalsContact O-CG 3.28Å; C113-M117 WeakPolarHBondContact O-CG 3.33Å; C113-M117 PolarHBondContact O-N 3.31Å
114K72.1Confident70.6Confident109 Ų109106.6 Ų106.647%0.47451%0.507SS..Hα-helixtrans-61.6-49.4175.4-173.4-179.7176.4-170.40111.5K110 R111 F112 V116 M117 E118K110-K114 WeakPolarHBondContact O-CB 3.27Å; K110-K114 PolarHBondContact O-N 2.74Å; K110-K114 VanDerWaalsContact O-N 3.15Å; R111-K114 PolarHBondContact O-N 3.01Å; F112-K114 PolarHBondContact O-N 3.05Å; K114-V116 PolarHBondContact O-N 3.32Å; K114-M117 PolarHBondContact O-N 3.07Å; K114-E118 WeakPolarHBondContact CE-OE1 3.43Å; K114-E118 VanDerWaalsContact CE-OE2 3.27Å; K114-E118 WeakPolarHBondContact CE-OE2 3.39Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 WeakPolarHBondContact CG-OE1 3.46Å; K114-E118 IonicContact NZ-OE1 3.84Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 VanDerWaalsContact O-CG 3.29Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.46Å
115A74.1Confident70.8Confident31 Ų31110.2 Ų110.226%0.25652%0.519SS..Hα-helixtrans-59.6-45.8179.300000112.4R111 F112 M117 E118 D119 I122R111-A115 PolarHBondContact O-N 3.09Å; F112-A115 PolarHBondContact O-N 3.06Å; F112-A115 VanDerWaalsContact O-N 3.12Å; A115-M117 PolarHBondContact O-N 2.96Å; A115-E118 PolarHBondContact O-N 3.49Å; A115-D119 WeakPolarHBondContact O-CB 2.94Å; A115-D119 PolarHBondContact O-N 3.34Å; A115-I122 HydrophobicContact CB-CD1 4.03Å
116V72.4Confident70.5Confident14 Ų14111.1 Ų111.19%0.08552%0.516CS..Hα-helixtrans-66.7-33.8179.5176.10000112.8F112 K114 I122 A123 W128F112-V116 HydrophobicContact CD1-CG2 4.18Å; F112-V116 HydrophobicContact CD2-CG2 4.19Å; F112-V116 HydrophobicContact CE1-CG2 3.68Å; F112-V116 HydrophobicContact CE2-CG2 3.63Å; F112-V116 HydrophobicContact CG-CG2 4.43Å; F112-V116 HydrophobicContact CZ-CG2 3.38Å; F112-V116 WeakPolarHBondContact O-CG2 3.42Å; F112-V116 PolarHBondContact O-N 3.41Å; K114-V116 PolarHBondContact O-N 3.32Å; V116-I122 HydrophobicContact CG2-CG2 4.03Å; V116-A123 HydrophobicContact CG1-CB 4.01Å; V116-W128 HydrophobicContact CG1-CH2 3.57Å; V116-W128 HydrophobicContact CG1-CZ2 3.57Å
117M71.6Confident70.4Confident142 Ų142117.4 Ų117.470%0.754%0.544SS*.Hα-helixtrans-76.4-28.1175.8-72.3-172.4-63.700113.2C113 K114 A115C113-M117 WeakPolarHBondContact O-CB 3.21Å; C113-M117 WeakPolarHBondContact O-CE 3.42Å; C113-M117 VanDerWaalsContact O-CG 3.28Å; C113-M117 WeakPolarHBondContact O-CG 3.33Å; C113-M117 PolarHBondContact O-N 3.31Å; K114-M117 PolarHBondContact O-N 3.07Å; A115-M117 PolarHBondContact O-N 2.96Å
118E74.1Confident70.4Confident122 Ų122111 Ų11157%0.5752%0.52SS*.Hα-helixtrans-88.3-29.5-176.7-73.6177.7170.500112.7K114 A115K114-E118 WeakPolarHBondContact CE-OE1 3.43Å; K114-E118 VanDerWaalsContact CE-OE2 3.27Å; K114-E118 WeakPolarHBondContact CE-OE2 3.39Å; K114-E118 HydrophobicContact CG-CG 4.33Å; K114-E118 WeakPolarHBondContact CG-OE1 3.46Å; K114-E118 IonicContact NZ-OE1 3.84Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 VanDerWaalsContact O-CG 3.29Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.46Å; A115-E118 PolarHBondContact O-N 3.49Å
119D76.8Confident70Confident62 Ų62108.5 Ų108.533%0.33252%0.521SS..  trans-123.6114.5-172-168.4-30.9000111.2A115 D121 I122 A123A115-D119 WeakPolarHBondContact O-CB 2.94Å; A115-D119 PolarHBondContact O-N 3.34Å; D119-D121 VanDerWaalsContact C-N 3.28Å; D119-D121 PolarHBondContact O-N 2.98Å; D119-D121 WeakPolarHBondContact OD1-CA 3.37Å; D119-D121 WeakPolarHBondContact OD1-CB 3.48Å; D119-D121 PolarHBondContact OD1-N 2.84Å; D119-I122 HydrophobicContact CB-CB 4Å; D119-I122 HydrophobicContact CB-CD1 3.67Å; D119-I122 HydrophobicContact CB-CG1 3.76Å; D119-I122 PolarHBondContact O-N 2.63Å; D119-I122 PolarHBondContact OD1-N 2.93Å; D119-A123 PolarHBondContact O-N 2.9Å
120R69.7Low69.9Low214 Ų214112.6 Ų112.681%0.80853%0.53SS*.Hα-helixtrans-66.1-31.6178-71.2-172.8-176.2-176.62.9111.8A123 T124R120-A123 WeakPolarHBondContact O-CB 3.44Å; R120-A123 PolarHBondContact O-N 3.31Å; R120-T124 WeakPolarHBondContact O-CG2 3.1Å; R120-T124 PolarHBondContact O-N 2.88Å; R120-T124 PolarHBondContact O-OG1 2.99Å
121D77.3Confident69.1Low125 Ų125113.1 Ų113.167%0.66853%0.532SS*.Hα-helixtrans-74.9-34.5-177.6-59.9-28.7000110.9D119 A123 T124 K125D119-D121 VanDerWaalsContact C-N 3.28Å; D119-D121 PolarHBondContact O-N 2.98Å; D119-D121 WeakPolarHBondContact OD1-CA 3.37Å; D119-D121 WeakPolarHBondContact OD1-CB 3.48Å; D119-D121 PolarHBondContact OD1-N 2.84Å; D121-A123 VanDerWaalsContact C-N 3.35Å; D121-T124 WeakPolarHBondContact CA-OG1 3.25Å; D121-T124 PolarHBondContact O-OG1 2.99Å; D121-K125 WeakPolarHBondContact O-CB 3.19Å; D121-K125 PolarHBondContact O-N 3.31Å
122I72.6Confident68.4Low55 Ų55104.9 Ų104.928%0.28251%0.507SS..Hα-helixtrans-63-45.4168.7-62.8178.2000109.6A115 V116 D119 T124 K125 Y126A115-I122 HydrophobicContact CB-CD1 4.03Å; V116-I122 HydrophobicContact CG2-CG2 4.03Å; D119-I122 HydrophobicContact CB-CB 4Å; D119-I122 HydrophobicContact CB-CD1 3.67Å; D119-I122 HydrophobicContact CB-CG1 3.76Å; D119-I122 PolarHBondContact O-N 2.63Å; D119-I122 PolarHBondContact OD1-N 2.93Å; I122-T124 PolarHBondContact O-N 3.47Å; I122-K125 PolarHBondContact O-N 2.93Å; I122-Y126 HydrophobicContact CG2-CD2 4.27Å; I122-Y126 HydrophobicContact CG2-CE2 4.23Å; I122-Y126 WeakPolarHBondContact O-CD2 3.46Å; I122-Y126 PolarHBondContact O-N 3.43Å
123A69.4Low68.4Low21 Ų21107.7 Ų107.717%0.17452%0.524CS..Hα-helixtrans-63.4-37.3-179.800000113.2V116 D119 R120 D121 W128V116-A123 HydrophobicContact CG1-CB 4.01Å; D119-A123 PolarHBondContact O-N 2.9Å; R120-A123 WeakPolarHBondContact O-CB 3.44Å; R120-A123 PolarHBondContact O-N 3.31Å; D121-A123 VanDerWaalsContact C-N 3.35Å; A123-W128 HydrophobicContact CB-CZ2 4.32Å; A123-W128 PolarHBondContact O-NE1 3.14Å
124T71.8Confident68.9Low110 Ų110111.7 Ų111.768%0.67554%0.543SS*.Hα-helixtrans-73-32.6179530000112.8R120 D121 I122 Y126R120-T124 WeakPolarHBondContact O-CG2 3.1Å; R120-T124 PolarHBondContact O-N 2.88Å; R120-T124 PolarHBondContact O-OG1 2.99Å; D121-T124 WeakPolarHBondContact CA-OG1 3.25Å; D121-T124 PolarHBondContact O-OG1 2.99Å; I122-T124 PolarHBondContact O-N 3.47Å; T124-Y126 VanDerWaalsContact C-N 3.27Å; T124-Y126 PolarHBondContact O-N 3.38Å
125K77Confident69.1Low186 Ų186112.3 Ų112.381%0.80955%0.548SS*.Hα-helixtrans-69-24.2177.4-169.5172.9-177175.90113.1D121 I122D121-K125 WeakPolarHBondContact O-CB 3.19Å; D121-K125 PolarHBondContact O-N 3.31Å; I122-K125 PolarHBondContact O-N 2.93Å
126Y65.4Low68.8Low114 Ų114113.1 Ų113.145%0.44755%0.55SS..SBendtrans-78.9126.7178-92.8-88.5000111.8F112 I122 T124 W128F112-Y126 HydrophobicContact CE2-CD2 4.06Å; F112-Y126 AromaticContact CE2-CE1 3.85Å; F112-Y126 HydrophobicContact CE2-CE1 3.85Å; F112-Y126 AromaticContact CE2-CE2 3.31Å; F112-Y126 HydrophobicContact CE2-CE2 3.31Å; F112-Y126 AromaticContact CE2-CZ 3.18Å; F112-Y126 WeakPolarHBondContact CE2-OH 3.42Å; F112-Y126 AromaticContact CZ-CD1 3.9Å; F112-Y126 HydrophobicContact CZ-CD1 3.9Å; F112-Y126 AromaticContact CZ-CD2 3.92Å; F112-Y126 HydrophobicContact CZ-CD2 3.92Å; F112-Y126 AromaticContact CZ-CE1 3.55Å; F112-Y126 HydrophobicContact CZ-CE1 3.55Å; F112-Y126 AromaticContact CZ-CE2 3.59Å; F112-Y126 HydrophobicContact CZ-CE2 3.59Å; F112-Y126 HydrophobicContact CZ-CG 4.07Å; F112-Y126 AromaticContact CZ-CZ 3.39Å; I122-Y126 HydrophobicContact CG2-CD2 4.27Å; I122-Y126 HydrophobicContact CG2-CE2 4.23Å; I122-Y126 WeakPolarHBondContact O-CD2 3.46Å; I122-Y126 PolarHBondContact O-N 3.43Å; T124-Y126 VanDerWaalsContact C-N 3.27Å; T124-Y126 PolarHBondContact O-N 3.38Å; Y126-W128 PolarHBondContact O-N 2.91Å
127Q65.4Low68.8Low189 Ų189115.5 Ų115.588%0.88356%0.562SS**  trans-73.196.1167.9-168.6170.7-600109S129Q127-S129 PolarHBondContact O-N 2.89Å; Q127-S129 VanDerWaalsContact O-N 3.09Å
128W64.8Low69Low109 Ų109114.6 Ų114.641%0.41355%0.554SS.*  trans-65.1107.3173.4-62.392.5000109.1I104 L106 V116 A123 Y126 H130I104-W128 HydrophobicContact CG2-CE3 4.41Å; I104-W128 HydrophobicContact CG2-CH2 3.91Å; I104-W128 HydrophobicContact CG2-CZ3 3.48Å; I104-W128 VanDerWaalsContact CG2-CZ3 3.48Å; L106-W128 HydrophobicContact CD2-CH2 4Å; L106-W128 HydrophobicContact CD2-CZ3 3.61Å; V116-W128 HydrophobicContact CG1-CH2 3.57Å; V116-W128 HydrophobicContact CG1-CZ2 3.57Å; A123-W128 HydrophobicContact CB-CZ2 4.32Å; A123-W128 PolarHBondContact O-NE1 3.14Å; Y126-W128 PolarHBondContact O-N 2.91Å; W128-H130 PolarHBondContact O-N 3.43Å
129S55.8Low69.2Low94 Ų94113.6 Ų113.666%0.65755%0.549SS*.  trans-69105.9174.963.60000109.1Q127 K131Q127-S129 PolarHBondContact O-N 2.89Å; Q127-S129 VanDerWaalsContact O-N 3.09Å; S129-K131 PolarHBondContact O-N 2.8Å
130H59.2Low68.8Low190 Ų190113.4 Ų113.488%0.8855%0.547SS*.  trans-67.1-16.4168.9-119.4-83.9000112.4W128 T132W128-H130 PolarHBondContact O-N 3.43Å; H130-T132 VanDerWaalsContact C-N 3.35Å; H130-T132 PolarHBondContact O-N 3.19Å; H130-T132 VanDerWaalsContact O-N 3.13Å
131K52.8Low69Low194 Ų194109.8 Ų109.884%0.84353%0.534SS*.  trans-8377.5173.8-66.9-173-179.6-176.80110.1S129S129-K131 PolarHBondContact O-N 2.8Å
132T56.4Low69.1Low56 Ų56111.2 Ų111.234%0.34453%0.53SS..  trans-73126157.6-53.10000106.3H130 N134 T136 L137 M140H130-T132 VanDerWaalsContact C-N 3.35Å; H130-T132 PolarHBondContact O-N 3.19Å; H130-T132 VanDerWaalsContact O-N 3.13Å; T132-N134 PolarHBondContact O-N 3.43Å; T132-T136 WeakPolarHBondContact CG2-OG1 3.24Å; T132-L137 HydrophobicContact CG2-CB 3.92Å; T132-M140 HydrophobicContact CG2-CE 3.33Å
133D69.9Low69.1Low97 Ų97111.6 Ų111.652%0.51954%0.537SS..  trans-54135.4171.5169.922.2000108.3Q135 T136 L137D133-Q135 PolarHBondContact O-N 2.87Å; D133-Q135 VanDerWaalsContact O-N 3.09Å; D133-Q135 PolarHBondContact OD1-N 3.43Å; D133-T136 HydrophobicContact CB-CG2 4.42Å; D133-T136 PolarHBondContact N-OG1 2.85Å; D133-T136 PolarHBondContact O-N 3.09Å; D133-T136 PolarHBondContact O-OG1 3.42Å; D133-L137 PolarHBondContact O-N 3.2Å
134N78.6Confident68.9Low111 Ų111114.1 Ų114.159%0.59455%0.548SS*.Hα-helixtrans-50.6-39.5-177.3-76.2-22.1000110.7T132 L137 F138T132-N134 PolarHBondContact O-N 3.43Å; N134-L137 WeakPolarHBondContact O-CB 3.25Å; N134-L137 PolarHBondContact O-N 2.7Å; N134-F138 HydrophobicContact CB-CD2 4.42Å; N134-F138 HydrophobicContact CB-CE2 4.2Å; N134-F138 WeakPolarHBondContact O-CD2 3.36Å; N134-F138 WeakPolarHBondContact O-CG 3.27Å; N134-F138 PolarHBondContact O-N 2.91Å
135Q75.5Confident69.1Low122 Ų122114.5 Ų114.557%0.5754%0.542SS*.Hα-helixtrans-61.3-50.9177.1-173.6175.9-15.800111.9D133 L137 F138 E139D133-Q135 PolarHBondContact O-N 2.87Å; D133-Q135 VanDerWaalsContact O-N 3.09Å; D133-Q135 PolarHBondContact OD1-N 3.43Å; Q135-L137 VanDerWaalsContact C-N 3.27Å; Q135-L137 PolarHBondContact O-N 2.67Å; Q135-F138 PolarHBondContact O-N 3.33Å; Q135-F138 VanDerWaalsContact O-N 3.14Å; Q135-E139 PolarHBondContact NE2-OE1 2.7Å; Q135-E139 WeakPolarHBondContact O-CG 3.17Å; Q135-E139 PolarHBondContact O-N 3.26Å
136T68.1Low69.1Low48 Ų48111.9 Ų111.929%0.29453%0.53SS..Hα-helixtrans-61.5-35176.356.20000112.7T132 D133 M140T132-T136 WeakPolarHBondContact CG2-OG1 3.24Å; D133-T136 HydrophobicContact CB-CG2 4.42Å; D133-T136 PolarHBondContact N-OG1 2.85Å; D133-T136 PolarHBondContact O-N 3.09Å; D133-T136 PolarHBondContact O-OG1 3.42Å; T136-M140 WeakPolarHBondContact O-CB 3.46Å; T136-M140 WeakPolarHBondContact O-CE 3.33Å; T136-M140 VanDerWaalsContact O-CG 3.27Å; T136-M140 WeakPolarHBondContact O-CG 3.14Å; T136-M140 PolarHBondContact O-N 3.25Å
137L72Confident68.7Low65 Ų65110.7 Ų110.734%0.3453%0.53SS..Hα-helixtrans-65-43.4174.3-17965.4000111.5T132 D133 N134 Q135 M140 R141T132-L137 HydrophobicContact CG2-CB 3.92Å; D133-L137 PolarHBondContact O-N 3.2Å; N134-L137 WeakPolarHBondContact O-CB 3.25Å; N134-L137 PolarHBondContact O-N 2.7Å; Q135-L137 VanDerWaalsContact C-N 3.27Å; Q135-L137 PolarHBondContact O-N 2.67Å; L137-M140 PolarHBondContact O-N 2.96Å; L137-R141 WeakPolarHBondContact O-CG 3.48Å; L137-R141 PolarHBondContact O-N 3.38Å
138F76.6Confident68.8Low122 Ų122107 Ų10754%0.53552%0.516SS..Hα-helixtrans-65.7-42.1177.2-76.4-60.4000112.3N134 Q135 M140 R141 R142N134-F138 HydrophobicContact CB-CD2 4.42Å; N134-F138 HydrophobicContact CB-CE2 4.2Å; N134-F138 WeakPolarHBondContact O-CD2 3.36Å; N134-F138 WeakPolarHBondContact O-CG 3.27Å; N134-F138 PolarHBondContact O-N 2.91Å; Q135-F138 PolarHBondContact O-N 3.33Å; Q135-F138 VanDerWaalsContact O-N 3.14Å; F138-M140 VanDerWaalsContact C-N 3.32Å; F138-M140 PolarHBondContact O-N 3.09Å; F138-R141 PolarHBondContact O-N 3.29Å; F138-R142 WeakPolarHBondContact O-CB 3.43Å; F138-R142 PolarHBondContact O-N 3.22Å
139E77.8Confident68.8Low101 Ų101108 Ų10847%0.47253%0.525SS..Hα-helixtrans-60.8-42.8174.4-72.5172.8-172.600111.3Q135 R142 S143Q135-E139 PolarHBondContact NE2-OE1 2.7Å; Q135-E139 WeakPolarHBondContact O-CG 3.17Å; Q135-E139 PolarHBondContact O-N 3.26Å; E139-R142 PolarHBondContact O-N 3.22Å; E139-S143 WeakPolarHBondContact O-CB 3.33Å; E139-S143 PolarHBondContact O-N 3.45Å
140M69.7Low68.8Low59 Ų59105.6 Ų105.629%0.29151%0.511SS..Hα-helixtrans-65.9-41176.2-76.4-174.6-88.800112.5L105 T132 T136 L137 F138 S143 L144L105-M140 HydrophobicContact CB-SD 3.75Å; L105-M140 HydrophobicContact CD1-CB 3.79Å; L105-M140 HydrophobicContact CD1-CG 3.79Å; L105-M140 HydrophobicContact CD1-SD 3.25Å; L105-M140 WeakPolarHBondContact CD1-SD 3.14Å; L105-M140 HydrophobicContact CG-SD 4.11Å; T132-M140 HydrophobicContact CG2-CE 3.33Å; T136-M140 WeakPolarHBondContact O-CB 3.46Å; T136-M140 WeakPolarHBondContact O-CE 3.33Å; T136-M140 VanDerWaalsContact O-CG 3.27Å; T136-M140 WeakPolarHBondContact O-CG 3.14Å; T136-M140 PolarHBondContact O-N 3.25Å; L137-M140 PolarHBondContact O-N 2.96Å; F138-M140 VanDerWaalsContact C-N 3.32Å; F138-M140 PolarHBondContact O-N 3.09Å; M140-S143 PolarHBondContact O-N 2.91Å; M140-L144 PolarHBondContact O-N 3.38Å
141R72.3Confident68.4Low138 Ų13898.6 Ų98.652%0.52148%0.482SS..Hα-helixtrans-60.5-48.8173.2-79.1-176.2179.3-173.21.6111.7L137 F138 S143 L144 E145L137-R141 WeakPolarHBondContact O-CG 3.48Å; L137-R141 PolarHBondContact O-N 3.38Å; F138-R141 PolarHBondContact O-N 3.29Å; R141-S143 PolarHBondContact O-N 3.38Å; R141-L144 WeakPolarHBondContact O-CA 3.37Å; R141-L144 WeakPolarHBondContact O-CB 3.41Å; R141-L144 PolarHBondContact O-N 3.2Å; R141-E145 PolarHBondContact O-N 2.64Å
142R80.1Confident68.4Low155 Ų15594.8 Ų94.859%0.58548%0.475SS*.Hα-helixtrans-60.3-36.5177.4-166.6-175.4-66168.7-1.2111.5F138 E139 K146F138-R142 WeakPolarHBondContact O-CB 3.43Å; F138-R142 PolarHBondContact O-N 3.22Å; E139-R142 PolarHBondContact O-N 3.22Å; R142-K146 WeakPolarHBondContact O-CB 3.45Å; R142-K146 VanDerWaalsContact O-CG 3.3Å; R142-K146 WeakPolarHBondContact O-CG 3.42Å; R142-K146 PolarHBondContact O-N 2.88Å
143S71.8Confident68.3Low63 Ų6396.7 Ų96.744%0.44149%0.491SS..Hα-helixtrans-67.3-35.8174.2-172.80000112.6E139 M140 R141 M147E139-S143 WeakPolarHBondContact O-CB 3.33Å; E139-S143 PolarHBondContact O-N 3.45Å; M140-S143 PolarHBondContact O-N 2.91Å; R141-S143 PolarHBondContact O-N 3.38Å; S143-M147 WeakPolarHBondContact O-CG 3.34Å; S143-M147 PolarHBondContact O-N 3.36Å; S143-M147 VanDerWaalsContact O-N 3.12Å
144L65.1Low67.1Low74 Ų7494.5 Ų94.539%0.38748%0.483SS..Hα-helixtrans-69.1-44.3175.4-78.7161.3000111.6M140 R141 K146 M147 D148M140-L144 PolarHBondContact O-N 3.38Å; R141-L144 WeakPolarHBondContact O-CA 3.37Å; R141-L144 WeakPolarHBondContact O-CB 3.41Å; R141-L144 PolarHBondContact O-N 3.2Å; L144-K146 VanDerWaalsContact C-N 3.34Å; L144-K146 PolarHBondContact O-N 3.09Å; L144-M147 HydrophobicContact CB-CE 4.49Å; L144-M147 HydrophobicContact CD2-CE 3.61Å; L144-M147 HydrophobicContact CG-CE 4.07Å; L144-M147 CarbonylContact O-C 3.56Å; L144-M147 WeakPolarHBondContact O-CB 3.28Å; L144-M147 PolarHBondContact O-N 3.04Å; L144-M147 VanDerWaalsContact O-N 3.07Å; L144-D148 PolarHBondContact O-N 3.13Å
145E76.8Confident65.7Low118 Ų11895.3 Ų95.355%0.55150%0.495SS*.Hα-helixtrans-58-46.5175.2-72166.2176.700110.9R141 M147 D148 E149R141-E145 PolarHBondContact O-N 2.64Å; E145-M147 VanDerWaalsContact C-N 3.28Å; E145-M147 PolarHBondContact O-N 3.32Å; E145-D148 WeakPolarHBondContact O-CB 3.43Å; E145-D148 PolarHBondContact O-N 2.92Å; E145-D148 VanDerWaalsContact O-N 3.1Å; E145-E149 WeakPolarHBondContact O-CG 3.39Å; E145-E149 PolarHBondContact O-N 3.17Å
146K76.8Confident64.1Low130 Ų13096.6 Ų96.657%0.56551%0.505SS*.Hα-helixtrans-59.6-35.8173.6-75179.3177.6-171.10113.4R142 L144 A150R142-K146 WeakPolarHBondContact O-CB 3.45Å; R142-K146 VanDerWaalsContact O-CG 3.3Å; R142-K146 WeakPolarHBondContact O-CG 3.42Å; R142-K146 PolarHBondContact O-N 2.88Å; L144-K146 VanDerWaalsContact C-N 3.34Å; L144-K146 PolarHBondContact O-N 3.09Å; K146-A150 VanDerWaalsContact O-CB 3.25Å; K146-A150 WeakPolarHBondContact O-CB 2.79Å; K146-A150 PolarHBondContact O-N 3.41Å
147M58.3Low62.7Low90 Ų9098.6 Ų98.644%0.44351%0.511SS..Hα-helixtrans-71.7-35.7175.7-75.6-172.9-64.200112S143 L144 E145 A150 T151S143-M147 WeakPolarHBondContact O-CG 3.34Å; S143-M147 PolarHBondContact O-N 3.36Å; S143-M147 VanDerWaalsContact O-N 3.12Å; L144-M147 HydrophobicContact CB-CE 4.49Å; L144-M147 HydrophobicContact CD2-CE 3.61Å; L144-M147 HydrophobicContact CG-CE 4.07Å; L144-M147 CarbonylContact O-C 3.56Å; L144-M147 WeakPolarHBondContact O-CB 3.28Å; L144-M147 PolarHBondContact O-N 3.04Å; L144-M147 VanDerWaalsContact O-N 3.07Å; E145-M147 VanDerWaalsContact C-N 3.28Å; E145-M147 PolarHBondContact O-N 3.32Å; M147-A150 PolarHBondContact O-N 2.87Å; M147-T151 VanDerWaalsContact O-CB 3.32Å; M147-T151 WeakPolarHBondContact O-CB 3.44Å; M147-T151 PolarHBondContact O-N 3.36Å; M147-T151 PolarHBondContact O-OG1 2.93Å
148D65.5Low61Low111 Ų111105.6 Ų105.659%0.59453%0.533SS*.Hα-helixtrans-67.6-43.5174.8-163.852.1000110.9L144 E145 T151 T152L144-D148 PolarHBondContact O-N 3.13Å; E145-D148 WeakPolarHBondContact O-CB 3.43Å; E145-D148 PolarHBondContact O-N 2.92Å; E145-D148 VanDerWaalsContact O-N 3.1Å; D148-T151 PolarHBondContact O-N 2.94Å; D148-T152 WeakPolarHBondContact O-CB 3.29Å; D148-T152 PolarHBondContact O-N 3.44Å; D148-T152 PolarHBondContact O-OG1 3.28Å
149E65.5Low59.4Low129 Ų129103.8 Ų103.860%0.60353%0.528SS*.Hα-helixtrans-60-45.2171.7-73.5174.1179.400112E145 T151 T152 S153E145-E149 WeakPolarHBondContact O-CG 3.39Å; E145-E149 PolarHBondContact O-N 3.17Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 2.65Å; E149-T152 PolarHBondContact O-N 3.3Å; E149-S153 WeakPolarHBondContact O-CB 3.36Å; E149-S153 PolarHBondContact O-N 3.45Å; E149-S153 PolarHBondContact O-OG 3.15Å
150A56.7Low57.3Low44 Ų44103.5 Ų103.536%0.36453%0.533SS..Hα-helixtrans-64.6-34.7175.800000112.5K146 M147 S153 S154K146-A150 VanDerWaalsContact O-CB 3.25Å; K146-A150 WeakPolarHBondContact O-CB 2.79Å; K146-A150 PolarHBondContact O-N 3.41Å; M147-A150 PolarHBondContact O-N 2.87Å; A150-S153 WeakPolarHBondContact CA-OG 3.45Å; A150-S153 PolarHBondContact O-OG 2.95Å; A150-S154 WeakPolarHBondContact O-CB 3.35Å; A150-S154 PolarHBondContact O-N 2.81Å
151T50.6Low55.9Low43 Ų43108.9 Ų108.926%0.26456%0.555SS.*Hα-helixtrans-71.1-33.9175.6-590000111.6M147 D148 E149 H157 I159M147-T151 VanDerWaalsContact O-CB 3.32Å; M147-T151 WeakPolarHBondContact O-CB 3.44Å; M147-T151 PolarHBondContact O-N 3.36Å; M147-T151 PolarHBondContact O-OG1 2.93Å; D148-T151 PolarHBondContact O-N 2.94Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 2.65Å; T151-H157 PolarHBondContact OG1-ND1 3.06Å; T151-I159 HydrophobicContact CG2-CD1 4.28Å; T151-I159 HydrophobicContact CG2-CG1 4.48Å; T151-I159 WeakPolarHBondContact OG1-CD1 3.27Å
152T53.3Low54.3Low114 Ų114113 Ų11370%0.69957%0.571SS**Hα-helixtrans-79.4-34.5179.6-50.90000112.1D148 E149D148-T152 WeakPolarHBondContact O-CB 3.29Å; D148-T152 PolarHBondContact O-N 3.44Å; D148-T152 PolarHBondContact O-OG1 3.28Å; E149-T152 PolarHBondContact O-N 3.3Å
153S53.7Low52.4Low96 Ų96112.5 Ų112.567%0.67157%0.569SS**Hα-helixtrans-84.5-18.1-178.455.20000114.6E149 A150E149-S153 WeakPolarHBondContact O-CB 3.36Å; E149-S153 PolarHBondContact O-N 3.45Å; E149-S153 PolarHBondContact O-OG 3.15Å; A150-S153 WeakPolarHBondContact CA-OG 3.45Å; A150-S153 PolarHBondContact O-OG 2.95Å
154S45.3Very low50.9Low52 Ų52113.8 Ų113.836%0.36458%0.578SS.*  trans-113.9110.6177.7-175.10000111.1A150 N156 H157A150-S154 WeakPolarHBondContact O-CB 3.35Å; A150-S154 PolarHBondContact O-N 2.81Å; S154-N156 PolarHBondContact O-N 3.17Å; S154-H157 PolarHBondContact O-N 3.09Å
155P48.3Very low49.7Very low128 Ų128114.5 Ų114.583%0.83159%0.585SS**THydrogen-bonded Turntrans-61.6-10179.821.5-30.3000114
156N42.3Very low47.8Very low148 Ų148117 Ų11779%0.79160%0.597SS**THydrogen-bonded Turntrans-115-1.2-177.1-70.5-33.4000115.3S154 R158S154-N156 PolarHBondContact O-N 3.17Å; N156-R158 PolarHBondContact O-N 3.08Å
157H38.4Very low46.4Very low90 Ų90120.2 Ų120.242%0.41761%0.605SS.*  trans-81.468.4167.2-173.6-102.4000109.8T151 S154 I159T151-H157 PolarHBondContact OG1-ND1 3.06Å; S154-H157 PolarHBondContact O-N 3.09Å; H157-I159 VanDerWaalsContact C-N 3.33Å; H157-I159 WeakPolarHBondContact CE1-CG1 3.5Å; H157-I159 PolarHBondContact O-N 2.98Å
158R36.6Very low45.5Very low212 Ų212120.4 Ų120.480%0.861%0.613SS**  trans-59.1106156.4-169.4-179-70.7179.2-1.5104.2N156 T160N156-R158 PolarHBondContact O-N 3.08Å; R158-T160 HydrophobicContact CG-CG2 4.48Å; R158-T160 PolarHBondContact O-N 3.49Å
159I42Very low44.6Very low84 Ų84119.3 Ų119.343%0.43162%0.619SS.*  trans-5790.1161.2-65.4168.9000104.1T151 H157 F161T151-I159 HydrophobicContact CG2-CD1 4.28Å; T151-I159 HydrophobicContact CG2-CG1 4.48Å; T151-I159 WeakPolarHBondContact OG1-CD1 3.27Å; H157-I159 VanDerWaalsContact C-N 3.33Å; H157-I159 WeakPolarHBondContact CE1-CG1 3.5Å; H157-I159 PolarHBondContact O-N 2.98Å; I159-F161 HydrophobicContact CG2-CD2 4.29Å; I159-F161 HydrophobicContact CG2-CE2 4.39Å; I159-F161 PolarHBondContact O-N 3.27Å
160T35Very low44Very low96 Ų96116 Ų11659%0.58961%0.61SS**  trans-64.898.8159.754.80000101.4R158 R162R158-T160 HydrophobicContact CG-CG2 4.48Å; R158-T160 PolarHBondContact O-N 3.49Å; T160-R162 PolarHBondContact O-N 2.93Å
161F40Very low43.7Very low172 Ų172122.8 Ų122.875%0.75463%0.627SS**  trans-46.496.8139-74.1-88.1000103.3I159 R163I159-F161 HydrophobicContact CG2-CD2 4.29Å; I159-F161 HydrophobicContact CG2-CE2 4.39Å; I159-F161 PolarHBondContact O-N 3.27Å; F161-R163 PolarHBondContact O-N 3.36Å
162R37.6Very low44.1Very low224 Ų224123.4 Ų123.485%0.84564%0.642SS**  trans-64.179.7157.3-97.4-170175.9-176.40.9102.4T160 S164T160-R162 PolarHBondContact O-N 2.93Å; R162-S164 PolarHBondContact O-N 3.43Å
163R40Very low44.6Very low144 Ų144122.5 Ų122.554%0.54364%0.636SS.*  trans-49.4107.7149.8-147.5176.2-159.7158.15.1100.4F161 V165F161-R163 PolarHBondContact O-N 3.36Å; R163-V165 PolarHBondContact O-N 3.31Å
164S40.2Very low45.4Very low90 Ų90124.9 Ų124.963%0.62964%0.635SS**  trans-59.985162.247.70000103.4R162 H166R162-S164 PolarHBondContact O-N 3.43Å; S164-H166 VanDerWaalsContact C-N 3.32Å; S164-H166 PolarHBondContact O-N 2.92Å
165V40.6Very low46.7Very low89 Ų89130.8 Ų130.854%0.53965%0.649SS.*  trans-55.9115.3165.2176.80000101.4R163 R167R163-V165 PolarHBondContact O-N 3.31Å; V165-R167 PolarHBondContact O-N 2.86Å
166H37.7Very low48.1Very low172 Ų172126.3 Ų126.380%0.79663%0.626SS**  trans-49.888.6179.1-155.274.4000107S164 P168S164-H166 VanDerWaalsContact C-N 3.32Å; S164-H166 PolarHBondContact O-N 2.92Å; H166-P168 WeakPolarHBondContact O-CD 3.32Å
167R46Very low49.9Very low196 Ų196124.3 Ų124.374%0.7461%0.614SS**  trans-92.1107.3171.8-78.7-171.2-178.7-176.30.5102.5V165 A169V165-R167 PolarHBondContact O-N 2.86Å; R167-A169 PolarHBondContact O-N 2.8Å
168P39.6Very low52Low95 Ų95122.7 Ų122.762%0.61762%0.616SS**  trans-57.3105.7176.822.7-31.6000107.5H166 S170H166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-S170 PolarHBondContact O-N 2.84Å
169A47.8Very low54.4Low87 Ų87116 Ų11672%0.71960%0.596SS**THydrogen-bonded Turntrans-73.624-17100000113.1R167R167-A169 PolarHBondContact O-N 2.8Å
170S51.9Low56.5Low59 Ų59116.1 Ų116.141%0.41360%0.6SS.*THydrogen-bonded Turntrans-138.3-12.1-163.4153.50000114.6P168 K174P168-S170 PolarHBondContact O-N 2.84Å; S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.2Å; S170-K174 WeakPolarHBondContact OG-CE 3.37Å
171R50.7Low59.2Low187 Ų187116 Ų11671%0.70660%0.599SS**Hα-helixtrans-75.4-36.6174.6-101.5-177.7-176.2166.32.1113.5R175R171-R175 WeakPolarHBondContact O-CG 3.41Å; R171-R175 PolarHBondContact O-N 3.28Å
172G59.2Low61.5Low57 Ų57111.3 Ų111.359%0.58859%0.588SS**Hα-helixtrans-68.6-50-179.600000112.8K174 R175 G176G172-K174 PolarHBondContact O-N 2.99Å; G172-R175 PolarHBondContact O-N 2.96Å; G172-G176 PolarHBondContact O-N 3.46Å
173T63.7Low64.1Low94 Ų94102.4 Ų102.458%0.57756%0.557SS**Hα-helixtrans-62.7-41.7-177.9-46.60000112.4R175 G176 I177T173-R175 PolarHBondContact O-N 3.12Å; T173-G176 PolarHBondContact O-N 3.27Å; T173-I177 HydrophobicContact CG2-CD1 4.05Å; T173-I177 WeakPolarHBondContact O-CG1 3.38Å; T173-I177 PolarHBondContact O-N 3.44Å
174K69.8Low66.5Low147 Ų147100.9 Ų100.964%0.63956%0.559SS**Hα-helixtrans-62.4-42.4176.6-71-176.9-179-167.90112.2S170 G172 A178S170-K174 VanDerWaalsContact O-CG 3.29Å; S170-K174 WeakPolarHBondContact O-CG 3.2Å; S170-K174 WeakPolarHBondContact OG-CE 3.37Å; G172-K174 PolarHBondContact O-N 2.99Å; K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.95Å; K174-A178 VanDerWaalsContact O-N 3.13Å
175R72.3Confident68.9Low175 Ų17598.2 Ų98.266%0.6655%0.546SS*.Hα-helixtrans-65.4-41.8175.8-74.1179.2176.8-179.2-2.8111.7R171 G172 T173 A178 L179R171-R175 WeakPolarHBondContact O-CG 3.41Å; R171-R175 PolarHBondContact O-N 3.28Å; G172-R175 PolarHBondContact O-N 2.96Å; T173-R175 PolarHBondContact O-N 3.12Å; R175-A178 PolarHBondContact O-N 2.99Å; R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 3.18Å
176G78.7Confident71.4Confident34 Ų3497 Ų9735%0.35154%0.536SS..Hα-helixtrans-60.1-48.4177.400000112.7G172 T173 A178 L179 V180G172-G176 PolarHBondContact O-N 3.46Å; T173-G176 PolarHBondContact O-N 3.27Å; G176-A178 PolarHBondContact O-N 3.48Å; G176-L179 PolarHBondContact O-N 3.45Å; G176-V180 WeakPolarHBondContact O-CG2 3.29Å; G176-V180 PolarHBondContact O-N 2.95Å; G176-V180 VanDerWaalsContact O-N 3.14Å
177I80Confident73.9Confident107 Ų10792.8 Ų92.855%0.54951%0.514SS..Hα-helixtrans-61.5-45.3178.1-65.8167.1000110.9T173 L179 V180 V181T173-I177 HydrophobicContact CG2-CD1 4.05Å; T173-I177 WeakPolarHBondContact O-CG1 3.38Å; T173-I177 PolarHBondContact O-N 3.44Å; I177-L179 VanDerWaalsContact C-N 3.33Å; I177-L179 PolarHBondContact O-N 3.31Å; I177-V180 PolarHBondContact O-N 2.9Å; I177-V181 HydrophobicContact CG2-CG2 4.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.35Å; I177-V181 PolarHBondContact O-N 3.01Å
178A83.5Confident76.1Confident55 Ų5586.3 Ų86.346%0.45550%0.502SS..Hα-helixtrans-59.2-43.2179.200000112.3K174 R175 G176 V181 S182K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.95Å; K174-A178 VanDerWaalsContact O-N 3.13Å; R175-A178 PolarHBondContact O-N 2.99Å; G176-A178 PolarHBondContact O-N 3.48Å; A178-V181 PolarHBondContact O-N 3.41Å; A178-S182 PolarHBondContact O-N 2.88Å; A178-S182 PolarHBondContact O-OG 3.38Å; A178-S182 VanDerWaalsContact O-OG 3.11Å
179L85.2Confident78.7Confident72 Ų7286 Ų8638%0.37750%0.495SS..Hα-helixtrans-63.9-41.8178-70.4174.5000112.7R175 G176 I177 S182 L183 L216R175-L179 WeakPolarHBondContact O-CG 3.45Å; R175-L179 PolarHBondContact O-N 3.18Å; G176-L179 PolarHBondContact O-N 3.45Å; I177-L179 VanDerWaalsContact C-N 3.33Å; I177-L179 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-N 2.78Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.31Å; L179-L216 HydrophobicContact CD2-CD1 4.01Å; L179-L216 HydrophobicContact CD2-CD2 4.46Å
180V88Confident80.7Confident86 Ų8681.9 Ų81.952%0.52146%0.46SS..Hα-helixtrans-63.2-44.3177.6173.20000110.8G176 I177 S182 L183 L184G176-V180 WeakPolarHBondContact O-CG2 3.29Å; G176-V180 PolarHBondContact O-N 2.95Å; G176-V180 VanDerWaalsContact O-N 3.14Å; I177-V180 PolarHBondContact O-N 2.9Å; V180-S182 PolarHBondContact O-N 3.39Å; V180-L183 PolarHBondContact O-N 2.94Å; V180-L184 HydrophobicContact CG1-CD1 4.11Å; V180-L184 WeakPolarHBondContact O-CG 3.42Å; V180-L184 PolarHBondContact O-N 3.43Å
181V90Very high82.5Confident93 Ų9383.8 Ų83.856%0.56447%0.465SS*.Hα-helixtrans-63.2-42.4177.9174.40000111.2I177 A178 L184 G185I177-V181 HydrophobicContact CG2-CG2 4.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.35Å; I177-V181 PolarHBondContact O-N 3.01Å; A178-V181 PolarHBondContact O-N 3.41Å; V181-L184 PolarHBondContact O-N 3.49Å; V181-G185 PolarHBondContact O-N 3.25Å
182S89.7Confident84.4Confident75 Ų7576.6 Ų76.652%0.52445%0.449SS..Hα-helixtrans-63-42.2176.3-63.30000112.8A178 L179 V180 G185 L186A178-S182 PolarHBondContact O-N 2.88Å; A178-S182 PolarHBondContact O-OG 3.38Å; A178-S182 VanDerWaalsContact O-OG 3.11Å; L179-S182 PolarHBondContact O-N 2.78Å; V180-S182 PolarHBondContact O-N 3.39Å; S182-G185 PolarHBondContact O-N 3.37Å; S182-L186 PolarHBondContact O-N 3.36Å; S182-L186 VanDerWaalsContact O-N 3.08Å
183L90.8Very high86.1Confident36 Ų3677.6 Ų77.619%0.18844%0.437CS..Hα-helixtrans-64.3-45.1177.2-74.3169.8000111.5L179 V180 G185 L186 Y187L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.31Å; V180-L183 PolarHBondContact O-N 2.94Å; L183-G185 VanDerWaalsContact C-N 3.26Å; L183-G185 PolarHBondContact O-N 3.21Å; L183-L186 PolarHBondContact O-N 3.22Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L183-Y187 WeakPolarHBondContact O-CD2 3.34Å; L183-Y187 PolarHBondContact O-N 3.17Å
184L91.4Very high87.3Confident113 Ų11379.7 Ų79.759%0.59244%0.439SS*.Hα-helixtrans-58.2-39.6175.2-73.1170.9000111.9V180 V181 Y187 A188V180-L184 HydrophobicContact CG1-CD1 4.11Å; V180-L184 WeakPolarHBondContact O-CG 3.42Å; V180-L184 PolarHBondContact O-N 3.43Å; V181-L184 PolarHBondContact O-N 3.49Å; L184-Y187 PolarHBondContact O-N 2.94Å; L184-A188 WeakPolarHBondContact O-CB 3.42Å; L184-A188 PolarHBondContact O-N 2.94Å
185G91.4Very high88.4Confident34 Ų3479.4 Ų79.435%0.35144%0.443SS..Hα-helixtrans-61.2-44.7174.200000113.2V181 S182 L183 A188 I189V181-G185 PolarHBondContact O-N 3.25Å; S182-G185 PolarHBondContact O-N 3.37Å; L183-G185 VanDerWaalsContact C-N 3.26Å; L183-G185 PolarHBondContact O-N 3.21Å; G185-A188 PolarHBondContact O-N 3.43Å; G185-I189 WeakPolarHBondContact O-CG1 3.41Å; G185-I189 PolarHBondContact O-N 2.93Å
186L91.6Very high89.4Confident64 Ų6474.3 Ų74.334%0.33544%0.438SS..Hα-helixtrans-63.9-40.8176.9-68.6172.8000112.2S182 L183 I189 G190 V205 A209 L212S182-L186 PolarHBondContact O-N 3.36Å; S182-L186 VanDerWaalsContact O-N 3.08Å; L183-L186 PolarHBondContact O-N 3.22Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L186-I189 PolarHBondContact O-N 2.8Å; L186-G190 PolarHBondContact O-N 2.96Å; L186-G190 VanDerWaalsContact O-N 3.08Å; L186-V205 WeakPolarHBondContact O-CG1 3.33Å; L186-A209 HydrophobicContact CB-CB 3.97Å; L186-A209 HydrophobicContact CD1-CB 4.49Å; L186-L212 HydrophobicContact CD1-CD2 4.24Å
187Y91.1Very high90Very high82 Ų8275.8 Ų75.832%0.32245%0.453SS..Hα-helixtrans-62.3-42.7174-79.4-70.2000112L183 L184 I189 G190 I191 I206 A209 V210L183-Y187 WeakPolarHBondContact O-CD2 3.34Å; L183-Y187 PolarHBondContact O-N 3.17Å; L184-Y187 PolarHBondContact O-N 2.94Å; Y187-I189 VanDerWaalsContact C-N 3.33Å; Y187-I189 PolarHBondContact O-N 3.45Å; Y187-G190 PolarHBondContact O-N 3.48Å; Y187-I191 WeakPolarHBondContact O-CG1 3.48Å; Y187-I191 PolarHBondContact O-N 3.22Å; Y187-I206 HydrophobicContact CE1-CG2 4.28Å; Y187-A209 HydrophobicContact CD2-CB 4.47Å; Y187-A209 HydrophobicContact CE1-CB 4.29Å; Y187-A209 HydrophobicContact CE2-CB 4.2Å; Y187-V210 HydrophobicContact CE1-CG2 4.05Å; Y187-V210 WeakPolarHBondContact OH-CG2 3.39Å
188A92.3Very high90.5Very high60 Ų6074.7 Ų74.750%0.49645%0.448SS..Hα-helixtrans-62.6-39.517800000112.3L184 G185 I191 G192L184-A188 WeakPolarHBondContact O-CB 3.42Å; L184-A188 PolarHBondContact O-N 2.94Å; G185-A188 PolarHBondContact O-N 3.43Å; A188-I191 PolarHBondContact O-N 2.95Å; A188-G192 PolarHBondContact O-N 3.14Å
189I92.8Very high90.8Very high90 Ų9074.4 Ų74.446%0.46245%0.445SS..Hα-helixtrans-61.9-44.9174.3-67.5165.3000110.7G185 L186 Y187 I191 G192 F193 V205G185-I189 WeakPolarHBondContact O-CG1 3.41Å; G185-I189 PolarHBondContact O-N 2.93Å; L186-I189 PolarHBondContact O-N 2.8Å; Y187-I189 VanDerWaalsContact C-N 3.33Å; Y187-I189 PolarHBondContact O-N 3.45Å; I189-I191 PolarHBondContact O-N 3.01Å; I189-G192 PolarHBondContact O-N 3.34Å; I189-F193 HydrophobicContact CG2-CD2 3.91Å; I189-F193 HydrophobicContact CG2-CE2 3.6Å; I189-F193 VanDerWaalsContact O-CD2 3.29Å; I189-F193 WeakPolarHBondContact O-CD2 3.24Å; I189-F193 PolarHBondContact O-N 3.34Å; I189-F193 VanDerWaalsContact O-N 3.08Å; I189-V205 HydrophobicContact CG2-CG1 4.48Å
190G90Very high91.1Very high0 Ų077 Ų770%046%0.464CS..Hα-helixtrans-60.4-43.5176.600000113L186 Y187 G192 F193 F194L186-G190 PolarHBondContact O-N 2.96Å; L186-G190 VanDerWaalsContact O-N 3.08Å; Y187-G190 PolarHBondContact O-N 3.48Å; G190-G192 VanDerWaalsContact C-N 3.32Å; G190-G192 PolarHBondContact O-N 3.47Å; G190-F193 PolarHBondContact O-N 2.92Å; G190-F194 PolarHBondContact O-N 2.93Å; G190-F194 VanDerWaalsContact O-N 3.13Å
191I91.3Very high91.1Very high98 Ų9875.4 Ų75.450%0.50346%0.455SS..Hα-helixtrans-62.6-39.6174.8-66.6166000110.9Y187 A188 I189 F194 I195Y187-I191 WeakPolarHBondContact O-CG1 3.48Å; Y187-I191 PolarHBondContact O-N 3.22Å; A188-I191 PolarHBondContact O-N 2.95Å; I189-I191 PolarHBondContact O-N 3.01Å; I191-F194 WeakPolarHBondContact O-CB 3.33Å; I191-F194 PolarHBondContact O-N 3.31Å; I191-I195 HydrophobicContact CG2-CD1 4.03Å; I191-I195 WeakPolarHBondContact O-CG1 3.32Å; I191-I195 PolarHBondContact O-N 3.48Å
192G90.8Very high91.2Very high37 Ų3771 Ų7138%0.38143%0.428SS..Hα-helixtrans-59.7-45.4175.800000113.1A188 I189 G190 F194 I195 A196A188-G192 PolarHBondContact O-N 3.14Å; I189-G192 PolarHBondContact O-N 3.34Å; G190-G192 VanDerWaalsContact C-N 3.32Å; G190-G192 PolarHBondContact O-N 3.47Å; G192-F194 VanDerWaalsContact C-N 3.28Å; G192-F194 PolarHBondContact O-N 3.06Å; G192-I195 PolarHBondContact O-N 3.13Å; G192-A196 WeakPolarHBondContact O-CB 3.36Å; G192-A196 PolarHBondContact O-N 3.42Å
193F93.4Very high91.3Very high77 Ų7772.4 Ų72.434%0.33843%0.429SS..Hα-helixtrans-62.8-34.9174.4-78.6-65.7000112.8I189 G190 A196 G197 I198 P201 A202I189-F193 HydrophobicContact CG2-CD2 3.91Å; I189-F193 HydrophobicContact CG2-CE2 3.6Å; I189-F193 VanDerWaalsContact O-CD2 3.29Å; I189-F193 WeakPolarHBondContact O-CD2 3.24Å; I189-F193 PolarHBondContact O-N 3.34Å; I189-F193 VanDerWaalsContact O-N 3.08Å; G190-F193 PolarHBondContact O-N 2.92Å; F193-A196 PolarHBondContact O-N 2.96Å; F193-G197 PolarHBondContact O-N 3.44Å; F193-I198 HydrophobicContact CD1-CB 4.4Å; F193-I198 HydrophobicContact CD1-CD1 4.27Å; F193-I198 PolarHBondContact O-N 3.46Å; F193-P201 HydrophobicContact CD1-CG 4.4Å; F193-A202 HydrophobicContact CB-CB 3.72Å
194F90.4Very high91.3Very high139 Ų13972.9 Ų72.961%0.6144%0.443SS*.Hα-helixtrans-65.8-45.2176.7-166.9-95.5000111.7G190 I191 G192 A196 G197 A202G190-F194 PolarHBondContact O-N 2.93Å; G190-F194 VanDerWaalsContact O-N 3.13Å; I191-F194 WeakPolarHBondContact O-CB 3.33Å; I191-F194 PolarHBondContact O-N 3.31Å; G192-F194 VanDerWaalsContact C-N 3.28Å; G192-F194 PolarHBondContact O-N 3.06Å; F194-A196 VanDerWaalsContact C-N 3.28Å; F194-A196 PolarHBondContact O-N 3.4Å; F194-G197 PolarHBondContact O-N 3.3Å; F194-G197 VanDerWaalsContact O-N 3.12Å; F194-A202 HydrophobicContact CB-CB 4.1Å; F194-A202 HydrophobicContact CD2-CB 4.46Å
195I91.9Very high91.4Very high140 Ų14069.5 Ų69.572%0.71843%0.427SS*.Hα-helixtrans-62.9-35.9175.4-65.6170.1000111.2I191 G192 G197I191-I195 HydrophobicContact CG2-CD1 4.03Å; I191-I195 WeakPolarHBondContact O-CG1 3.32Å; I191-I195 PolarHBondContact O-N 3.48Å; G192-I195 PolarHBondContact O-N 3.13Å; I195-G197 PolarHBondContact O-N 2.98Å
196A92.9Very high91.4Very high68 Ų6870.7 Ų70.756%0.56242%0.424SS*.THydrogen-bonded Turntrans-73.40.117700000114.3G192 F193 F194 I198G192-A196 WeakPolarHBondContact O-CB 3.36Å; G192-A196 PolarHBondContact O-N 3.42Å; F193-A196 PolarHBondContact O-N 2.96Å; F194-A196 VanDerWaalsContact C-N 3.28Å; F194-A196 PolarHBondContact O-N 3.4Å; A196-I198 VanDerWaalsContact C-N 3.29Å; A196-I198 HydrophobicContact CB-CD1 4.48Å; A196-I198 HydrophobicContact CB-CG1 4.2Å; A196-I198 PolarHBondContact O-N 2.94Å
197G91.1Very high91.5Very high65 Ų6571.5 Ų71.567%0.6743%0.432SS*.THydrogen-bonded Turntrans7710.1179.800000114.7F193 F194 I195 A199F193-G197 PolarHBondContact O-N 3.44Å; F194-G197 PolarHBondContact O-N 3.3Å; F194-G197 VanDerWaalsContact O-N 3.12Å; I195-G197 PolarHBondContact O-N 2.98Å; G197-A199 PolarHBondContact O-N 3.43Å
198I92.1Very high91.6Very high85 Ų8569.4 Ų69.444%0.43644%0.435SS..  trans-98.373.3-178.9-37-177.5000109.1F193 A196 V200 P201 A202F193-I198 HydrophobicContact CD1-CB 4.4Å; F193-I198 HydrophobicContact CD1-CD1 4.27Å; F193-I198 PolarHBondContact O-N 3.46Å; A196-I198 VanDerWaalsContact C-N 3.29Å; A196-I198 HydrophobicContact CB-CD1 4.48Å; A196-I198 HydrophobicContact CB-CG1 4.2Å; A196-I198 PolarHBondContact O-N 2.94Å; I198-V200 PolarHBondContact O-N 3.35Å; I198-P201 HydrophobicContact CB-CG 3.97Å; I198-P201 HydrophobicContact CG2-CG 3.32Å; I198-P201 VanDerWaalsContact O-CD 3.29Å; I198-P201 WeakPolarHBondContact O-CD 3.44Å; I198-P201 WeakPolarHBondContact O-CG 3.39Å; I198-A202 WeakPolarHBondContact O-CB 3.42Å; I198-A202 PolarHBondContact O-N 3.27Å
199A88.5Confident91.6Very high49 Ų4966.7 Ų66.741%0.40541%0.413SS..Hα-helixtrans-65.1-37.5-167.500000114.8G197 A202 I203G197-A199 PolarHBondContact O-N 3.43Å; A199-A202 WeakPolarHBondContact O-CB 3.47Å; A199-A202 PolarHBondContact O-N 3.05Å; A199-I203 WeakPolarHBondContact O-CG1 3.3Å; A199-I203 PolarHBondContact O-N 3.01Å
200V91.1Very high91.6Very high125 Ų12565.2 Ų65.276%0.75841%0.408SS*.Hα-helixtrans-61.4-54-176.8-179.50000112.7I198 A202 G204I198-V200 PolarHBondContact O-N 3.35Å; V200-A202 VanDerWaalsContact C-N 3.32Å; V200-A202 PolarHBondContact O-N 3Å; V200-G204 PolarHBondContact O-N 3.39Å
201P89.6Confident91.8Very high53 Ų5369.5 Ų69.534%0.34443%0.434SS..Hα-helixtrans-66.8-31.9174.825.4-33.3000112.6F193 I198 I203 G204 V205F193-P201 HydrophobicContact CD1-CG 4.4Å; I198-P201 HydrophobicContact CB-CG 3.97Å; I198-P201 HydrophobicContact CG2-CG 3.32Å; I198-P201 VanDerWaalsContact O-CD 3.29Å; I198-P201 WeakPolarHBondContact O-CD 3.44Å; I198-P201 WeakPolarHBondContact O-CG 3.39Å; P201-I203 PolarHBondContact O-N 3.5Å; P201-G204 PolarHBondContact O-N 3.05Å; P201-V205 WeakPolarHBondContact O-CG2 3.1Å; P201-V205 PolarHBondContact O-N 3.39Å
202A91Very high91.9Very high0 Ų068.8 Ų68.80%043%0.431CS..Hα-helixtrans-58.1-49.5177.100000111.8F193 F194 I198 A199 V200 G204 V205 I206F193-A202 HydrophobicContact CB-CB 3.72Å; F194-A202 HydrophobicContact CB-CB 4.1Å; F194-A202 HydrophobicContact CD2-CB 4.46Å; I198-A202 WeakPolarHBondContact O-CB 3.42Å; I198-A202 PolarHBondContact O-N 3.27Å; A199-A202 WeakPolarHBondContact O-CB 3.47Å; A199-A202 PolarHBondContact O-N 3.05Å; V200-A202 VanDerWaalsContact C-N 3.32Å; V200-A202 PolarHBondContact O-N 3Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-G204 PolarHBondContact O-N 3.28Å; A202-V205 PolarHBondContact O-N 3.04Å; A202-I206 VanDerWaalsContact O-CG1 3.29Å; A202-I206 WeakPolarHBondContact O-CG1 3.36Å; A202-I206 PolarHBondContact O-N 3.11Å; A202-I206 VanDerWaalsContact O-N 3.09Å
203I91.6Very high91.9Very high105 Ų10568 Ų6854%0.53842%0.422SS..Hα-helixtrans-61.8-44.1177.5-64.7166.2000110.3A199 P201 V205 I206 V207A199-I203 WeakPolarHBondContact O-CG1 3.3Å; A199-I203 PolarHBondContact O-N 3.01Å; P201-I203 PolarHBondContact O-N 3.5Å; I203-V205 PolarHBondContact O-N 3.47Å; I203-I206 PolarHBondContact O-N 3.38Å; I203-V207 HydrophobicContact CG2-CG2 4.1Å; I203-V207 WeakPolarHBondContact O-CB 3.42Å; I203-V207 VanDerWaalsContact O-CG2 3.3Å; I203-V207 WeakPolarHBondContact O-CG2 3.12Å; I203-V207 PolarHBondContact O-N 2.99Å
204G91.8Very high91.9Very high47 Ų4770 Ų7049%0.48544%0.436SS..Hα-helixtrans-58.4-44.8178.700000113.3V200 P201 A202 G208V200-G204 PolarHBondContact O-N 3.39Å; P201-G204 PolarHBondContact O-N 3.05Å; A202-G204 VanDerWaalsContact C-N 3.34Å; A202-G204 PolarHBondContact O-N 3.28Å; G204-G208 PolarHBondContact O-N 3.47Å
205V93Very high91.9Very high42 Ų4265.4 Ų65.426%0.25542%0.424SS..Hα-helixtrans-66-44178.3173.60000111.3L186 I189 P201 A202 I203 G208 A209L186-V205 WeakPolarHBondContact O-CG1 3.33Å; I189-V205 HydrophobicContact CG2-CG1 4.48Å; P201-V205 WeakPolarHBondContact O-CG2 3.1Å; P201-V205 PolarHBondContact O-N 3.39Å; A202-V205 PolarHBondContact O-N 3.04Å; I203-V205 PolarHBondContact O-N 3.47Å; V205-G208 PolarHBondContact O-N 3.25Å; V205-A209 WeakPolarHBondContact O-CB 3.45Å; V205-A209 PolarHBondContact O-N 2.92Å
206I91.4Very high91.7Very high58 Ų5860.5 Ų60.530%0.29740%0.399SS..Hα-helixtrans-64.2-49.4-179.7-67.1166.9000110.6Y187 A202 I203 G208 A209 V210Y187-I206 HydrophobicContact CE1-CG2 4.28Å; A202-I206 VanDerWaalsContact O-CG1 3.29Å; A202-I206 WeakPolarHBondContact O-CG1 3.36Å; A202-I206 PolarHBondContact O-N 3.11Å; A202-I206 VanDerWaalsContact O-N 3.09Å; I203-I206 PolarHBondContact O-N 3.38Å; I206-G208 VanDerWaalsContact C-N 3.33Å; I206-G208 PolarHBondContact O-N 3.26Å; I206-A209 PolarHBondContact O-N 3.09Å; I206-V210 WeakPolarHBondContact O-CG2 3.36Å; I206-V210 PolarHBondContact O-N 3Å
207V93.9Very high91.4Very high82 Ų8260.8 Ų60.850%0.49740%0.396SS..Hα-helixtrans-61.7-42.9178.51740000110.7I203 A209 V210 V211I203-V207 HydrophobicContact CG2-CG2 4.1Å; I203-V207 WeakPolarHBondContact O-CB 3.42Å; I203-V207 VanDerWaalsContact O-CG2 3.3Å; I203-V207 WeakPolarHBondContact O-CG2 3.12Å; I203-V207 PolarHBondContact O-N 2.99Å; V207-A209 PolarHBondContact O-N 3.43Å; V207-V210 PolarHBondContact O-N 3.39Å; V207-V211 HydrophobicContact CG1-CG2 4.39Å; V207-V211 WeakPolarHBondContact O-CG2 3.36Å; V207-V211 PolarHBondContact O-N 2.95Å
208G92.2Very high91.3Very high38 Ų3862.9 Ų62.939%0.39239%0.392SS..Hα-helixtrans-60.1-42.9176.200000113.2G204 V205 I206 V211 L212G204-G208 PolarHBondContact O-N 3.47Å; V205-G208 PolarHBondContact O-N 3.25Å; I206-G208 VanDerWaalsContact C-N 3.33Å; I206-G208 PolarHBondContact O-N 3.26Å; G208-V211 PolarHBondContact O-N 3.32Å; G208-L212 VanDerWaalsContact O-CB 3.32Å; G208-L212 WeakPolarHBondContact O-CB 3.43Å; G208-L212 PolarHBondContact O-N 3.08Å
209A92.2Very high90.9Very high2 Ų264.4 Ų64.42%0.01740%0.398CS..Hα-helixtrans-64.6-40.417700000112.3L186 Y187 V205 I206 V207 G213L186-A209 HydrophobicContact CB-CB 3.97Å; L186-A209 HydrophobicContact CD1-CB 4.49Å; Y187-A209 HydrophobicContact CD2-CB 4.47Å; Y187-A209 HydrophobicContact CE1-CB 4.29Å; Y187-A209 HydrophobicContact CE2-CB 4.2Å; V205-A209 WeakPolarHBondContact O-CB 3.45Å; V205-A209 PolarHBondContact O-N 2.92Å; I206-A209 PolarHBondContact O-N 3.09Å; V207-A209 PolarHBondContact O-N 3.43Å; A209-G213 PolarHBondContact O-N 3.04Å
210V93.3Very high90.5Very high59 Ų5965.8 Ų65.836%0.35840%0.402SS..Hα-helixtrans-61.9-50.8175174.80000110.6Y187 I206 V207 L212 G213 L214Y187-V210 HydrophobicContact CE1-CG2 4.05Å; Y187-V210 WeakPolarHBondContact OH-CG2 3.39Å; I206-V210 WeakPolarHBondContact O-CG2 3.36Å; I206-V210 PolarHBondContact O-N 3Å; V207-V210 PolarHBondContact O-N 3.39Å; V210-L212 PolarHBondContact O-N 3.16Å; V210-G213 PolarHBondContact O-N 3.28Å; V210-L214 HydrophobicContact CG1-CD1 4.04Å; V210-L214 HydrophobicContact CG1-CG 4.45Å; V210-L214 WeakPolarHBondContact O-CG 3.35Å; V210-L214 PolarHBondContact O-N 3.31Å
211V94.8Very high90Very high91 Ų9166.6 Ų66.655%0.55239%0.392SS*.Hα-helixtrans-61.2-44.5-179.2172.50000111V207 G208 G213 L214 A215V207-V211 HydrophobicContact CG1-CG2 4.39Å; V207-V211 WeakPolarHBondContact O-CG2 3.36Å; V207-V211 PolarHBondContact O-N 2.95Å; G208-V211 PolarHBondContact O-N 3.32Å; V211-G213 PolarHBondContact O-N 3.41Å; V211-L214 PolarHBondContact O-N 3.08Å; V211-A215 WeakPolarHBondContact O-CB 3.33Å; V211-A215 PolarHBondContact O-N 3.38Å
212L92.8Very high89.5Confident83 Ų8366.9 Ų66.944%0.43539%0.393SS..Hα-helixtrans-61.4-43.9176.3-177.663.4000111.5L186 G208 V210 A215 L216L186-L212 HydrophobicContact CD1-CD2 4.24Å; G208-L212 VanDerWaalsContact O-CB 3.32Å; G208-L212 WeakPolarHBondContact O-CB 3.43Å; G208-L212 PolarHBondContact O-N 3.08Å; V210-L212 PolarHBondContact O-N 3.16Å; L212-A215 PolarHBondContact O-N 3.03Å; L212-L216 HydrophobicContact CD1-CD1 4.25Å; L212-L216 HydrophobicContact CD1-CG 4.33Å; L212-L216 HydrophobicContact CG-CD1 3.98Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 WeakPolarHBondContact O-CB 3.48Å; L212-L216 VanDerWaalsContact O-CG 3.24Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 2.97Å
213G91.3Very high88.6Confident20 Ų2068.5 Ų68.521%0.20641%0.41CS..Hα-helixtrans-60.5-44.4176.500000112.7A209 V210 V211 L216 S217A209-G213 PolarHBondContact O-N 3.04Å; V210-G213 PolarHBondContact O-N 3.28Å; V211-G213 PolarHBondContact O-N 3.41Å; G213-L216 PolarHBondContact O-N 3.43Å; G213-S217 WeakPolarHBondContact O-CB 3.36Å; G213-S217 PolarHBondContact O-N 3.42Å
214L92.4Very high87.4Confident118 Ų11869.8 Ų69.862%0.61841%0.414SS*.Hα-helixtrans-65.1-43.4176.6-69175.5000112V210 V211 S217 L218V210-L214 HydrophobicContact CG1-CD1 4.04Å; V210-L214 HydrophobicContact CG1-CG 4.45Å; V210-L214 WeakPolarHBondContact O-CG 3.35Å; V210-L214 PolarHBondContact O-N 3.31Å; V211-L214 PolarHBondContact O-N 3.08Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 PolarHBondContact O-N 3.34Å
215A91Very high86.1Confident43 Ų4375.2 Ų75.236%0.35542%0.42SS..Hα-helixtrans-62.6-43.817700000112.2V211 L212 L218 M219V211-A215 WeakPolarHBondContact O-CB 3.33Å; V211-A215 PolarHBondContact O-N 3.38Å; L212-A215 PolarHBondContact O-N 3.03Å; A215-L218 PolarHBondContact O-N 3.47Å; A215-M219 WeakPolarHBondContact O-CG 3.49Å; A215-M219 PolarHBondContact O-N 2.95Å
216L87.4Confident84.4Confident38 Ų3880.5 Ų80.520%0.19944%0.44CS..Hα-helixtrans-64-41.2175.4-70.7168.8000111.7L179 L212 G213 M219 T220L179-L216 HydrophobicContact CD2-CD1 4.01Å; L179-L216 HydrophobicContact CD2-CD2 4.46Å; L212-L216 HydrophobicContact CD1-CD1 4.25Å; L212-L216 HydrophobicContact CD1-CG 4.33Å; L212-L216 HydrophobicContact CG-CD1 3.98Å; L212-L216 HydrophobicContact CG-CG 4.49Å; L212-L216 WeakPolarHBondContact O-CB 3.48Å; L212-L216 VanDerWaalsContact O-CG 3.24Å; L212-L216 WeakPolarHBondContact O-CG 3.29Å; L212-L216 PolarHBondContact O-N 2.97Å; G213-L216 PolarHBondContact O-N 3.43Å; L216-M219 HydrophobicContact CD2-CE 3.73Å; L216-M219 HydrophobicContact CG-CE 4.47Å; L216-M219 PolarHBondContact O-N 3.49Å; L216-T220 WeakPolarHBondContact O-CG2 3.29Å; L216-T220 PolarHBondContact O-N 2.97Å; L216-T220 PolarHBondContact O-OG1 3.46Å
217S86.8Confident82.4Confident73 Ų7386 Ų8651%0.5146%0.458SS..Hα-helixtrans-60.9-46.8175.1-172.90000111G213 L214 M219 T220 Y221G213-S217 WeakPolarHBondContact O-CB 3.36Å; G213-S217 PolarHBondContact O-N 3.42Å; L214-S217 PolarHBondContact O-N 3.35Å; S217-M219 PolarHBondContact O-N 3.39Å; S217-T220 PolarHBondContact O-N 3.13Å; S217-T220 PolarHBondContact O-OG1 3.3Å; S217-Y221 WeakPolarHBondContact O-CB 3.29Å; S217-Y221 PolarHBondContact O-N 3.22Å
218L88.5Confident80.4Confident110 Ų11088.7 Ų88.758%0.57647%0.469SS*.Hα-helixtrans-61.5-43176.8-173.165.5000112.1L214 A215 T220 Y221 T222L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 PolarHBondContact O-N 3.34Å; A215-L218 PolarHBondContact O-N 3.47Å; L218-T220 PolarHBondContact O-N 3.36Å; L218-Y221 PolarHBondContact O-N 3.2Å; L218-T222 HydrophobicContact CD1-CG2 4.38Å; L218-T222 HydrophobicContact CG-CG2 4.46Å; L218-T222 WeakPolarHBondContact O-CG2 3.4Å; L218-T222 PolarHBondContact O-N 3.45Å; L218-T222 PolarHBondContact O-OG1 3.03Å; L218-T222 VanDerWaalsContact O-OG1 3.08Å
219M84.2Confident78Confident116 Ų11694 Ų9457%0.57148%0.484SS*.Hα-helixtrans-63.5-39.7177-76.8-164.7-7000112.9A215 L216 S217 T222 G223A215-M219 WeakPolarHBondContact O-CG 3.49Å; A215-M219 PolarHBondContact O-N 2.95Å; L216-M219 HydrophobicContact CD2-CE 3.73Å; L216-M219 HydrophobicContact CG-CE 4.47Å; L216-M219 PolarHBondContact O-N 3.49Å; S217-M219 PolarHBondContact O-N 3.39Å; M219-T222 PolarHBondContact O-OG1 3.12Å; M219-G223 PolarHBondContact O-N 3.21Å
220T79.4Confident75.6Confident79 Ų79107.3 Ų107.349%0.48553%0.534SS..Hα-helixtrans-69.8-37.3175.955.70000111.9L216 S217 L218 Q224L216-T220 WeakPolarHBondContact O-CG2 3.29Å; L216-T220 PolarHBondContact O-N 2.97Å; L216-T220 PolarHBondContact O-OG1 3.46Å; S217-T220 PolarHBondContact O-N 3.13Å; S217-T220 PolarHBondContact O-OG1 3.3Å; L218-T220 PolarHBondContact O-N 3.36Å; T220-Q224 WeakPolarHBondContact O-CB 3.36Å; T220-Q224 WeakPolarHBondContact O-CG 3.35Å; T220-Q224 PolarHBondContact O-N 3.38Å
221Y81.3Confident74.8Confident141 Ų141109.7 Ų109.755%0.55354%0.542SS*.Hα-helixtrans-65.3-48.4175.2-177.8-100.4000112.4S217 L218 Q224 R225S217-Y221 WeakPolarHBondContact O-CB 3.29Å; S217-Y221 PolarHBondContact O-N 3.22Å; L218-Y221 PolarHBondContact O-N 3.2Å; Y221-Q224 PolarHBondContact O-N 3.08Å; Y221-R225 WeakPolarHBondContact O-CB 3.48Å; Y221-R225 PolarHBondContact O-N 3.4Å
222T79.2Confident73.7Confident59 Ų59110.7 Ų110.736%0.36254%0.542SS..Hα-helixtrans-65.6-41.6176.656.80000111.2L218 M219 Q224 R225 F226L218-T222 HydrophobicContact CD1-CG2 4.38Å; L218-T222 HydrophobicContact CG-CG2 4.46Å; L218-T222 WeakPolarHBondContact O-CG2 3.4Å; L218-T222 PolarHBondContact O-N 3.45Å; L218-T222 PolarHBondContact O-OG1 3.03Å; L218-T222 VanDerWaalsContact O-OG1 3.08Å; M219-T222 PolarHBondContact O-OG1 3.12Å; T222-Q224 VanDerWaalsContact C-N 3.34Å; T222-Q224 PolarHBondContact O-N 3.34Å; T222-R225 PolarHBondContact O-N 3.42Å; T222-R225 VanDerWaalsContact O-N 3.17Å; T222-F226 WeakPolarHBondContact O-CD2 3.45Å; T222-F226 PolarHBondContact O-N 3.37Å
223G71.5Confident72.6Confident34 Ų34112.2 Ų112.235%0.35155%0.548SS..Hα-helixtrans-59-41.2174.700000113.2M219 Y227M219-G223 PolarHBondContact O-N 3.21Å; G223-Y227 PolarHBondContact O-N 3.02Å
224Q66.8Low71.5Confident132 Ų132117.6 Ų117.662%0.61757%0.568SS**Hα-helixtrans-68-39.6173.6-77.8-178.2-10.300112.5T220 Y221 T222 Y227 N228T220-Q224 WeakPolarHBondContact O-CB 3.36Å; T220-Q224 WeakPolarHBondContact O-CG 3.35Å; T220-Q224 PolarHBondContact O-N 3.38Å; Y221-Q224 PolarHBondContact O-N 3.08Å; T222-Q224 VanDerWaalsContact C-N 3.34Å; T222-Q224 PolarHBondContact O-N 3.34Å; Q224-Y227 PolarHBondContact O-N 3.34Å; Q224-N228 PolarHBondContact O-N 3.4Å; Q224-N228 VanDerWaalsContact O-N 3.09Å
225R63.9Low70.2Confident161 Ų161117.6 Ų117.661%0.60857%0.565SS**Hα-helixtrans-65.4-41.3178.4-167.9177.8-178.9-178.70.6112.3Y221 T222 Y227 N228Y221-R225 WeakPolarHBondContact O-CB 3.48Å; Y221-R225 PolarHBondContact O-N 3.4Å; T222-R225 PolarHBondContact O-N 3.42Å; T222-R225 VanDerWaalsContact O-N 3.17Å; R225-Y227 VanDerWaalsContact C-N 3.29Å; R225-Y227 PolarHBondContact O-N 3Å; R225-N228 PolarHBondContact O-N 3.17Å
226F58Low68.9Low154 Ų154122.6 Ų122.668%0.67558%0.579SS**Hα-helixtrans-63.4-34.8173.1-89.2-76000112.2T222T222-F226 WeakPolarHBondContact O-CD2 3.45Å; T222-F226 PolarHBondContact O-N 3.37Å
227Y50.3Low67.5Low174 Ų174128.6 Ų128.668%0.68261%0.606SS**Hα-helixtrans-76.6-21.1179-115.3-77.5000114.9G223 Q224 R225G223-Y227 PolarHBondContact O-N 3.02Å; Q224-Y227 PolarHBondContact O-N 3.34Å; R225-Y227 VanDerWaalsContact C-N 3.29Å; R225-Y227 PolarHBondContact O-N 3Å
228N51.3Low66.1Low138 Ų138132.9 Ų132.974%0.73861%0.613SS**Hα-helixtrans-87.7-11.3179.4-75.4-16.3000113.3Q224 R225Q224-N228 PolarHBondContact O-N 3.4Å; Q224-N228 VanDerWaalsContact O-N 3.09Å; R225-N228 PolarHBondContact O-N 3.17Å
229H42.7Very low64.2Low150 Ų150134.8 Ų134.869%0.69462%0.616SS**  trans-98.18.8179.3-96.9-76.2000114.5
230W41.7Very low62.4Low280 Ų280136.5 Ų136.5100%1.06162%0.62SS**  trans-134.20173.3-71.495.8000111

Retrieved 230 of 230 residues in 62.1 ms (Link to these results)

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