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Small ribosomal subunit protein uS2

Required for the assembly and/or stability of the 40S ribosomal subunit. Required for the processing of the 20S rRNA-precursor to mature 18S rRNA in a late step of the maturation of 40S ribosomal subunits. Also functions as a cell surface receptor for laminin. Plays a role in cell adhesion to the basement membrane and in the consequent activation of signaling transduction pathways. May play a role in cell fate determination and tissue morphogenesis.

AlphaFold DB , UniProt , Accession B5FXT6, Species TAEGU (Taeniopygia guttata, Zebra finch), Gene RPSA, Length 296 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
1M50.2Low76.7Confident167 Ų16780.8 Ų80.882%0.82347%0.466SS*.  0128.10-63-70.8-98.300106.9G3M1-G3 PolarHBondContact O-N 3.31Å
2S57.2Low78Confident24 Ų2487.2 Ų87.217%0.16849%0.488CS..  trans-61.826.3-171.750.40000116.1G4 R63S2-G4 PolarHBondContact O-N 3.47Å; S2-R63 PolarHBondContact O-NH2 3.27Å
3G62.6Low79.1Confident43 Ų4390.4 Ų90.444%0.44350%0.497SS..THydrogen-bonded Turntrans71.5-3.4-172.300000114.4M1 L5M1-G3 PolarHBondContact O-N 3.31Å; G3-L5 PolarHBondContact O-N 3.02Å
4G74.4Confident80.1Confident64 Ų6484.1 Ų84.166%0.6646%0.463SS*.THydrogen-bonded Turntrans64.815.1-173.200000113.4S2S2-G4 PolarHBondContact O-N 3.47Å
5L83Confident81.1Confident99 Ų9981.4 Ų81.452%0.51845%0.449SS..  trans-89123.7-179.9-61.7176.2000109.2G3 V7 L8 Q9G3-L5 PolarHBondContact O-N 3.02Å; L5-V7 PolarHBondContact O-N 2.83Å; L5-L8 HydrophobicContact CB-CB 4.3Å; L5-L8 HydrophobicContact CB-CD1 4.25Å; L5-L8 HydrophobicContact CB-CG 4Å; L5-L8 HydrophobicContact CD1-CD1 3.89Å; L5-L8 HydrophobicContact CD1-CG 4.28Å; L5-L8 PolarHBondContact O-N 3.27Å; L5-Q9 PolarHBondContact O-N 3.46Å
6D81.8Confident82Confident122 Ų12282.8 Ų82.865%0.65246%0.455SS*.G310 helixtrans-59.1-35.2-179.8-68.2-18.1000112.2L8 Q9D6-L8 PolarHBondContact O-N 3.28Å; D6-Q9 WeakPolarHBondContact O-CB 3.21Å; D6-Q9 WeakPolarHBondContact O-CG 3.26Å; D6-Q9 PolarHBondContact O-N 3.41Å; D6-Q9 PolarHBondContact OD1-NE2 3.17Å
7V82.9Confident82.8Confident100 Ų10081.3 Ų81.361%0.60644%0.443SS*.G310 helixtrans-63.3-23.3177-177.20000112.9L5 R191L5-V7 PolarHBondContact O-N 2.83Å; V7-R191 VanDerWaalsContact CG1-CD 3.45Å; V7-R191 PolarHBondContact O-NH1 3.16Å
8L85.2Confident83.5Confident16 Ų1676.8 Ų76.88%0.08442%0.418CS..G310 helixtrans-98.63.7178.5-59.5-171.3000113.2L5 D6 W55 L59 R191L5-L8 HydrophobicContact CB-CB 4.3Å; L5-L8 HydrophobicContact CB-CD1 4.25Å; L5-L8 HydrophobicContact CB-CG 4Å; L5-L8 HydrophobicContact CD1-CD1 3.89Å; L5-L8 HydrophobicContact CD1-CG 4.28Å; L5-L8 PolarHBondContact O-N 3.27Å; D6-L8 PolarHBondContact O-N 3.28Å; L8-W55 PolarHBondContact O-NE1 3.4Å; L8-L59 HydrophobicContact CB-CD1 4.13Å; L8-L59 WeakPolarHBondContact O-CD1 3.22Å; L8-R191 VanDerWaalsContact CD2-NH1 3.3Å
9Q88.1Confident84.1Confident107 Ų10777 Ų7750%0.542%0.418SS..SBendtrans-65.7154.6177.4-70.1-175.313.100111.5L5 D6 K11L5-Q9 PolarHBondContact O-N 3.46Å; D6-Q9 WeakPolarHBondContact O-CB 3.21Å; D6-Q9 WeakPolarHBondContact O-CG 3.26Å; D6-Q9 PolarHBondContact O-N 3.41Å; D6-Q9 PolarHBondContact OD1-NE2 3.17Å; Q9-K11 PolarHBondContact O-N 3.11Å
10M88.1Confident84.7Confident51 Ų5177.8 Ų77.825%0.25144%0.436SS..PPolyproline II helixtrans-68.6119178.7-168.2-177.7-175.100109V15 F18 L51 W55M10-V15 HydrophobicContact CE-CB 4.01Å; M10-V15 HydrophobicContact CE-CG1 4.4Å; M10-V15 HydrophobicContact CE-CG2 3.4Å; M10-V15 VanDerWaalsContact CE-CG2 3.4Å; M10-V15 HydrophobicContact CG-CG2 3.8Å; M10-V15 HydrophobicContact SD-CG2 3.66Å; M10-F18 HydrophobicContact CE-CD2 3.28Å; M10-F18 HydrophobicContact CE-CE2 3.51Å; M10-F18 HydrophobicContact CE-CG 4.42Å; M10-L51 HydrophobicContact CE-CB 4.09Å; M10-W55 HydrophobicContact CB-CD2 4.24Å; M10-W55 HydrophobicContact CB-CG 3.96Å; M10-W55 HydrophobicContact CG-CB 4.41Å; M10-W55 HydrophobicContact CG-CD2 4.15Å; M10-W55 HydrophobicContact CG-CG 4.06Å; M10-W55 HydrophobicContact SD-CB 4.22Å; M10-W55 HydrophobicContact SD-CG 4.49Å
11K90.7Very high85.2Confident96 Ų9674.9 Ų74.942%0.41742%0.422SS..PPolyproline II helixtrans-80.2151177.4-63.9-172.5178.2-173.10110.9Q9 E13 D14 V15Q9-K11 PolarHBondContact O-N 3.11Å; K11-E13 VanDerWaalsContact C-N 3.28Å; K11-E13 PolarHBondContact O-N 3.17Å; K11-D14 PolarHBondContact O-N 2.83Å; K11-V15 WeakPolarHBondContact O-CG2 3.48Å; K11-V15 PolarHBondContact O-N 3.05Å
12E92Very high87.4Confident157 Ų15767.6 Ų67.673%0.73439%0.39SS*.Hα-helixtrans-55.2-43.4178.5-175176.5176.700112.3D14 V15 L16E12-D14 PolarHBondContact O-N 3.21Å; E12-V15 WeakPolarHBondContact O-CB 3.48Å; E12-V15 PolarHBondContact O-N 2.61Å; E12-V15 VanDerWaalsContact O-N 3.14Å; E12-L16 PolarHBondContact O-N 3.4Å
13E92.4Very high89.2Confident129 Ų12966.5 Ų66.560%0.60338%0.382SS*.Hα-helixtrans-58.2-31.9177.4-62.4174.4-164.700113.6K11 K17K11-E13 VanDerWaalsContact C-N 3.28Å; K11-E13 PolarHBondContact O-N 3.17Å; E13-K17 VanDerWaalsContact O-CG 3.32Å; E13-K17 WeakPolarHBondContact O-CG 3.21Å; E13-K17 PolarHBondContact O-N 3.22Å; E13-K17 PolarHBondContact O-NZ 3.07Å
14D93.6Very high90.8Very high3 Ų366.4 Ų66.42%0.01637%0.37CS..Hα-helixtrans-81.3-35.8179.8-69.4-26.6000110.8K11 E12 L16 K17 F18 R180K11-D14 PolarHBondContact O-N 2.83Å; E12-D14 PolarHBondContact O-N 3.21Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 3.26Å; D14-K17 PolarHBondContact O-N 3.35Å; D14-K17 IonicContact OD1-NZ 3.74Å; D14-K17 PolarHBondContact OD1-NZ 3.22Å; D14-F18 WeakPolarHBondContact O-CD2 3.22Å; D14-F18 PolarHBondContact O-N 3.09Å; D14-R180 VanDerWaalsContact CG-NH2 3.34Å; D14-R180 IonicContact OD1-CZ 3.53Å; D14-R180 IonicContact OD1-NH1 3.48Å; D14-R180 PolarHBondContact OD1-NH1 3.14Å; D14-R180 IonicContact OD1-NH2 3.45Å; D14-R180 PolarHBondContact OD1-NH2 2.98Å; D14-R180 IonicContact OD2-CZ 2.86Å; D14-R180 IonicContact OD2-NH1 3.47Å; D14-R180 PolarHBondContact OD2-NH1 3.16Å; D14-R180 IonicContact OD2-NH2 2.74Å; D14-R180 PolarHBondContact OD2-NH2 3.23Å
15V94.2Very high91.8Very high43 Ų4365.7 Ų65.726%0.26135%0.351SS..Hα-helixtrans-57.6-47.2171.4-176.30000110.3M10 K11 E12 K17 F18 L19M10-V15 HydrophobicContact CE-CB 4.01Å; M10-V15 HydrophobicContact CE-CG1 4.4Å; M10-V15 HydrophobicContact CE-CG2 3.4Å; M10-V15 VanDerWaalsContact CE-CG2 3.4Å; M10-V15 HydrophobicContact CG-CG2 3.8Å; M10-V15 HydrophobicContact SD-CG2 3.66Å; K11-V15 WeakPolarHBondContact O-CG2 3.48Å; K11-V15 PolarHBondContact O-N 3.05Å; E12-V15 WeakPolarHBondContact O-CB 3.48Å; E12-V15 PolarHBondContact O-N 2.61Å; E12-V15 VanDerWaalsContact O-N 3.14Å; V15-K17 VanDerWaalsContact C-N 3.32Å; V15-K17 PolarHBondContact O-N 3.07Å; V15-F18 WeakPolarHBondContact O-CB 3.29Å; V15-F18 PolarHBondContact O-N 3.39Å; V15-F18 VanDerWaalsContact O-N 3.15Å; V15-L19 HydrophobicContact CG1-CD1 4.08Å; V15-L19 HydrophobicContact CG1-CG 4.35Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.99Å
16L95.8Very high92.4Very high103 Ų10361.6 Ų61.654%0.53933%0.332SS..Hα-helixtrans-59.6-42.8179.2-70.5176.4000111.9E12 D14 F18 L19 A20E12-L16 PolarHBondContact O-N 3.4Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 3.26Å; L16-F18 PolarHBondContact O-N 3.09Å; L16-L19 PolarHBondContact O-N 2.95Å; L16-A20 WeakPolarHBondContact O-CB 3.34Å; L16-A20 PolarHBondContact O-N 3.26Å
17K95.5Very high92.9Very high58 Ų5856.2 Ų56.225%0.25231%0.305SS..Hα-helixtrans-62.4-41.4175.6-65.1178.2-162.879.80111.8E13 D14 V15 L19 A20 A21 L173 W176E13-K17 VanDerWaalsContact O-CG 3.32Å; E13-K17 WeakPolarHBondContact O-CG 3.21Å; E13-K17 PolarHBondContact O-N 3.22Å; E13-K17 PolarHBondContact O-NZ 3.07Å; D14-K17 PolarHBondContact O-N 3.35Å; D14-K17 IonicContact OD1-NZ 3.74Å; D14-K17 PolarHBondContact OD1-NZ 3.22Å; V15-K17 VanDerWaalsContact C-N 3.32Å; V15-K17 PolarHBondContact O-N 3.07Å; K17-L19 PolarHBondContact O-N 2.81Å; K17-A20 PolarHBondContact O-N 2.86Å; K17-A21 WeakPolarHBondContact O-CB 3.39Å; K17-A21 PolarHBondContact O-N 3.26Å; K17-L173 HydrophobicContact CB-CD1 3.65Å; K17-L173 WeakPolarHBondContact O-CD1 3.37Å; K17-W176 HydrophobicContact CD-CZ3 4.21Å
18F95.7Very high93.5Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-62.4-40.2175.5-75.7-59.9000113.2M10 D14 V15 L16 G22 T23 L51 T54 W55 L173 M174 M177M10-F18 HydrophobicContact CE-CD2 3.28Å; M10-F18 HydrophobicContact CE-CE2 3.51Å; M10-F18 HydrophobicContact CE-CG 4.42Å; D14-F18 WeakPolarHBondContact O-CD2 3.22Å; D14-F18 PolarHBondContact O-N 3.09Å; V15-F18 WeakPolarHBondContact O-CB 3.29Å; V15-F18 PolarHBondContact O-N 3.39Å; V15-F18 VanDerWaalsContact O-N 3.15Å; L16-F18 PolarHBondContact O-N 3.09Å; F18-G22 PolarHBondContact O-N 2.84Å; F18-T23 HydrophobicContact CD1-CG2 3.77Å; F18-T23 HydrophobicContact CE1-CG2 4.26Å; F18-T23 WeakPolarHBondContact O-CB 3.48Å; F18-T23 PolarHBondContact O-N 3.06Å; F18-T23 PolarHBondContact O-OG1 3.39Å; F18-L51 HydrophobicContact CB-CD1 3.94Å; F18-L51 HydrophobicContact CB-CD2 3.93Å; F18-L51 HydrophobicContact CD1-CD2 4.44Å; F18-L51 HydrophobicContact CG-CD2 4.13Å; F18-T54 HydrophobicContact CE1-CG2 4.46Å; F18-W55 HydrophobicContact CE2-CE3 4.05Å; F18-W55 HydrophobicContact CZ-CE3 4.21Å; F18-L173 HydrophobicContact CD1-CD2 3.59Å; F18-L173 HydrophobicContact CE1-CD2 3.8Å; F18-M174 HydrophobicContact CD1-SD 4.4Å; F18-M174 HydrophobicContact CE1-SD 3.64Å; F18-M177 HydrophobicContact CD1-CE 3.53Å; F18-M177 HydrophobicContact CD2-CE 3.95Å; F18-M177 HydrophobicContact CE1-CE 3.14Å; F18-M177 HydrophobicContact CE1-SD 3.91Å; F18-M177 HydrophobicContact CE2-CE 3.61Å; F18-M177 HydrophobicContact CE2-SD 3.73Å; F18-M177 HydrophobicContact CG-CE 3.92Å; F18-M177 HydrophobicContact CZ-CE 3.2Å; F18-M177 HydrophobicContact CZ-SD 3.35Å; F18-M177 WeakPolarHBondContact CZ-SD 3.42Å
19L95.6Very high93.9Very high81 Ų8159.7 Ų59.742%0.42432%0.324SS..Hα-helixtrans-68.2-47.2178.1-67.5176.4000110.9V15 L16 K17 A21 G22 L51V15-L19 HydrophobicContact CG1-CD1 4.08Å; V15-L19 HydrophobicContact CG1-CG 4.35Å; V15-L19 WeakPolarHBondContact O-CG 3.43Å; V15-L19 PolarHBondContact O-N 2.99Å; L16-L19 PolarHBondContact O-N 2.95Å; K17-L19 PolarHBondContact O-N 2.81Å; L19-A21 PolarHBondContact O-N 3.22Å; L19-G22 PolarHBondContact O-N 3.35Å; L19-G22 VanDerWaalsContact O-N 3.12Å; L19-L51 HydrophobicContact CD2-CD1 4.04Å; L19-L51 HydrophobicContact CG-CD1 4.46Å
20A95.7Very high94.3Very high92 Ų9257.2 Ų57.276%0.7631%0.314SS*.Hα-helixtrans-60.3-42.7178.500000112.4L16 K17 G22L16-A20 WeakPolarHBondContact O-CB 3.34Å; L16-A20 PolarHBondContact O-N 3.26Å; K17-A20 PolarHBondContact O-N 2.86Å; A20-G22 PolarHBondContact O-N 3.13Å
21A95Very high94.6Very high18 Ų1856.6 Ų56.615%0.14931%0.311CS..THydrogen-bonded Turntrans-78.4-0.2178.100000114.5K17 L19 T23 H169 L173K17-A21 WeakPolarHBondContact O-CB 3.39Å; K17-A21 PolarHBondContact O-N 3.26Å; L19-A21 PolarHBondContact O-N 3.22Å; A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 3.13Å; A21-H169 HydrophobicContact CB-CB 4.1Å; A21-L173 HydrophobicContact CB-CB 4.4Å; A21-L173 HydrophobicContact CB-CD1 3.79Å; A21-L173 HydrophobicContact CB-CD2 4.43Å; A21-L173 HydrophobicContact CB-CG 4.46Å
22G95.2Very high94.8Very high14 Ų1459.4 Ų59.414%0.14432%0.324CS..THydrogen-bonded Turntrans68.627.6179.400000114.4F18 L19 A20 H24 L25 N164F18-G22 PolarHBondContact O-N 2.84Å; L19-G22 PolarHBondContact O-N 3.35Å; L19-G22 VanDerWaalsContact O-N 3.12Å; A20-G22 PolarHBondContact O-N 3.13Å; G22-H24 VanDerWaalsContact C-N 3.28Å; G22-H24 PolarHBondContact O-N 3.1Å; G22-L25 PolarHBondContact O-N 3.15Å; G22-N164 PolarHBondContact O-ND2 2.74Å
23T95.8Very high94.9Very high0 Ų055.6 Ų55.60%031%0.306CS..THydrogen-bonded Turntrans-70.3-25.5-175.6-54.70000113.1F18 A21 L25 C163 N164 S170 M174F18-T23 HydrophobicContact CD1-CG2 3.77Å; F18-T23 HydrophobicContact CE1-CG2 4.26Å; F18-T23 WeakPolarHBondContact O-CB 3.48Å; F18-T23 PolarHBondContact O-N 3.06Å; F18-T23 PolarHBondContact O-OG1 3.39Å; A21-T23 VanDerWaalsContact C-N 3.33Å; A21-T23 PolarHBondContact O-N 3.13Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.49Å; T23-C163 HydrophobicContact CG2-CB 3.86Å; T23-N164 PolarHBondContact O-N 3.31Å; T23-S170 WeakPolarHBondContact CA-OG 3.39Å; T23-S170 WeakPolarHBondContact CB-OG 3.47Å; T23-S170 WeakPolarHBondContact CG2-OG 3.33Å; T23-S170 PolarHBondContact OG1-OG 3.18Å; T23-M174 HydrophobicContact CG2-CG 4.48Å; T23-M174 HydrophobicContact CG2-SD 3.87Å
24H96Very high95.1Very high42 Ų4249.5 Ų49.519%0.19428%0.278CS..THydrogen-bonded Turntrans-76.1-13.3178.364-79.5000113.4G22 I48 I49 L51G22-H24 VanDerWaalsContact C-N 3.28Å; G22-H24 PolarHBondContact O-N 3.1Å; H24-I48 CarbonylContact O-C 3.58Å; H24-I48 WeakPolarHBondContact O-CA 3.39Å; H24-I49 PolarHBondContact O-N 3.31Å; H24-L51 HydrophobicContact CB-CD1 4.32Å; H24-L51 HydrophobicContact CB-CD2 4.04Å; H24-L51 HydrophobicContact CB-CG 4.13Å
25L95.7Very high95.1Very high49 Ų4955.7 Ų55.726%0.25731%0.306SS..BIsolated β-bridgetrans-89.8112.7-179.6-59.5175.7000109.6G22 T23 N164G22-L25 PolarHBondContact O-N 3.15Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.49Å; L25-N164 WeakPolarHBondContact O-CB 3.21Å; L25-N164 VanDerWaalsContact O-CG 3.26Å; L25-N164 PolarHBondContact O-ND2 2.86Å
26G94.8Very high95.1Very high12 Ų1259.7 Ų59.712%0.12432%0.322CS..  trans-86.1-160.1176.200000113.7I46 Y47 N149G26-I46 WeakPolarHBondContact O-CG2 3.29Å; G26-Y47 VanDerWaalsContact CA-O 3.31Å; G26-Y47 WeakPolarHBondContact CA-O 3.37Å; G26-Y47 PolarHBondContact N-O 3.17Å; G26-N149 WeakPolarHBondContact CA-OD1 3.06Å
27G93.5Very high95.1Very high9 Ų955.4 Ų55.49%0.09330%0.299CS..  trans-84.6-178.8169.900000113.7Y47 N149 T150G27-Y47 PolarHBondContact O-N 2.81Å; G27-N149 PolarHBondContact N-OD1 2.93Å; G27-T150 VanDerWaalsContact CA-OG1 3.31Å; G27-T150 WeakPolarHBondContact CA-OG1 3.48Å; G27-T150 PolarHBondContact N-OG1 2.91Å
28T94.8Very high95.1Very high81 Ų8154 Ų5450%0.49729%0.294SS..SBendtrans-83.9-23173.750.50000113.1I46 Y47T28-I46 HydrophobicContact CG2-CG1 4.5Å; T28-Y47 VanDerWaalsContact O-CE2 3.29Å; T28-Y47 WeakPolarHBondContact O-CE2 3.45Å
29N94.9Very high95.1Very high109 Ų10961.5 Ų61.558%0.58332%0.323SS*.SBendtrans-104.9152.3177.8-63.4-27000110T150 D151N29-T150 CarbonylContact O-C 3.6Å; N29-T150 WeakPolarHBondContact O-CB 3.42Å; N29-T150 PolarHBondContact O-OG1 3.36Å; N29-D151 HydrophobicContact CB-CB 4.23Å
30L94.6Very high95.1Very high55 Ų5563.5 Ų63.529%0.28833%0.328SS..  trans-125.9124.2179.5-179.364.4000109.7M34 E35 I38 Y47 T150L30-M34 HydrophobicContact CD1-CB 4.04Å; L30-E35 HydrophobicContact CD2-CB 4.23Å; L30-E35 HydrophobicContact CD2-CG 4.31Å; L30-I38 HydrophobicContact CD1-CD1 3.81Å; L30-I38 HydrophobicContact CD1-CG1 3.4Å; L30-I38 HydrophobicContact CD2-CG1 4.28Å; L30-I38 HydrophobicContact CG-CG1 4.49Å; L30-Y47 HydrophobicContact CB-CD2 4.13Å; L30-Y47 HydrophobicContact CB-CE1 4.33Å; L30-Y47 HydrophobicContact CB-CE2 3.76Å; L30-Y47 HydrophobicContact CD2-CD1 4.43Å; L30-Y47 HydrophobicContact CD2-CE1 4.02Å; L30-T150 CarbonylContact C-O 3.47Å; L30-T150 WeakPolarHBondContact CA-O 3.35Å
31D95.4Very high95.1Very high37 Ų3766 Ų6620%0.19832%0.318CS..  trans-74.9141.9165.9-17656.7000110.3Q33 M34 E35 T150D31-Q33 PolarHBondContact O-N 3.48Å; D31-Q33 PolarHBondContact OD2-N 3.34Å; D31-M34 HydrophobicContact CB-CB 4.31Å; D31-M34 HydrophobicContact CB-CG 4.17Å; D31-M34 PolarHBondContact O-N 3.32Å; D31-E35 PolarHBondContact O-N 3.03Å; D31-T150 PolarHBondContact N-O 3.42Å
32F94.9Very high95Very high155 Ų15569 Ų6968%0.6833%0.328SS*.THydrogen-bonded Turntrans-61.8-29.6-173.474-78.4000112.8
33Q94.5Very high95Very high78 Ų7873.8 Ų73.836%0.36436%0.359SS..THydrogen-bonded Turntrans-82.2-20.1178.4-56.1-176.2-48.900112.7D31 E35 Q36 L154D31-Q33 PolarHBondContact O-N 3.48Å; D31-Q33 PolarHBondContact OD2-N 3.34Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; Q33-Q36 PolarHBondContact O-NE2 3.01Å; Q33-L154 HydrophobicContact CB-CD1 3.74Å; Q33-L154 HydrophobicContact CB-CG 4.33Å
34M95.5Very high94.8Very high1 Ų179.1 Ų79.11%0.00539%0.388CS..THydrogen-bonded Turntrans-81.8-11.7177.6-72-62.3-68.500113L30 D31 Q36 Y37 C148 N149 L154 P162L30-M34 HydrophobicContact CD1-CB 4.04Å; D31-M34 HydrophobicContact CB-CB 4.31Å; D31-M34 HydrophobicContact CB-CG 4.17Å; D31-M34 PolarHBondContact O-N 3.32Å; M34-Q36 PolarHBondContact O-N 2.7Å; M34-Q36 VanDerWaalsContact O-N 3.16Å; M34-Y37 HydrophobicContact CE-CD2 3.8Å; M34-Y37 PolarHBondContact O-N 3.02Å; M34-Y37 HydrophobicContact SD-CD2 3.67Å; M34-Y37 HydrophobicContact SD-CE2 3.99Å; M34-C148 HydrophobicContact CE-CB 3.97Å; M34-C148 HydrophobicContact SD-CB 4.08Å; M34-N149 WeakPolarHBondContact CE-O 3.45Å; M34-L154 HydrophobicContact CG-CD1 4.33Å; M34-L154 HydrophobicContact CG-CG 4.32Å; M34-L154 HydrophobicContact SD-CD1 3.76Å; M34-L154 HydrophobicContact SD-CD2 3.76Å; M34-L154 HydrophobicContact SD-CG 3.97Å; M34-P162 HydrophobicContact CE-CB 3.93Å
35E93.8Very high94.7Very high132 Ų13277.7 Ų77.762%0.61739%0.385SS*.G310 helixtrans-52.6-38.5-179-173172.9-171.600112.9L30 D31 Q33 Y37 I38L30-E35 HydrophobicContact CD2-CB 4.23Å; L30-E35 HydrophobicContact CD2-CG 4.31Å; D31-E35 PolarHBondContact O-N 3.03Å; Q33-E35 VanDerWaalsContact C-N 3.34Å; E35-Y37 PolarHBondContact O-N 2.95Å; E35-Y37 VanDerWaalsContact O-N 3.1Å; E35-I38 PolarHBondContact O-N 2.75Å; E35-I38 VanDerWaalsContact O-N 3.13Å
36Q94.3Very high94.7Very high127 Ų12777.7 Ų77.759%0.59339%0.385SS*.G310 helixtrans-61.8-18.4178.166.9-177.5-2400115.1Q33 M34Q33-Q36 PolarHBondContact O-NE2 3.01Å; M34-Q36 PolarHBondContact O-N 2.7Å; M34-Q36 VanDerWaalsContact O-N 3.16Å
37Y95.9Very high94.7Very high13 Ų1379.1 Ų79.15%0.05139%0.386CS..G310 helixtrans-99-8.9-179.8-58.7-58.7000113.4M34 E35 N50 R53 K57 A160 P162M34-Y37 HydrophobicContact CE-CD2 3.8Å; M34-Y37 PolarHBondContact O-N 3.02Å; M34-Y37 HydrophobicContact SD-CD2 3.67Å; M34-Y37 HydrophobicContact SD-CE2 3.99Å; E35-Y37 PolarHBondContact O-N 2.95Å; E35-Y37 VanDerWaalsContact O-N 3.1Å; Y37-N50 WeakPolarHBondContact O-CB 3.4Å; Y37-N50 PolarHBondContact O-N 3.4Å; Y37-R53 HydrophobicContact CD1-CB 4Å; Y37-K57 HydrophobicContact CE1-CD 4.35Å; Y37-K57 HydrophobicContact CE1-CG 4.01Å; Y37-K57 WeakPolarHBondContact OH-CE 3.2Å; Y37-K57 PolarHBondContact OH-NZ 3.46Å; Y37-A160 HydrophobicContact CE2-CB 4.21Å; Y37-P162 HydrophobicContact CD1-CB 4.32Å; Y37-P162 HydrophobicContact CD1-CG 3.76Å; Y37-P162 HydrophobicContact CD2-CB 4.22Å; Y37-P162 HydrophobicContact CD2-CG 4.47Å; Y37-P162 HydrophobicContact CE1-CG 4.43Å; Y37-P162 HydrophobicContact CG-CB 3.81Å; Y37-P162 HydrophobicContact CG-CG 3.78Å
38I95.8Very high94.9Very high30 Ų3080 Ų8015%0.15439%0.388CS..EExtended strand (participates in β ladder)trans-81.8143.5-178.9-59.3-52.3000110.4L30 E35 Y47 I49 T150L30-I38 HydrophobicContact CD1-CD1 3.81Å; L30-I38 HydrophobicContact CD1-CG1 3.4Å; L30-I38 HydrophobicContact CD2-CG1 4.28Å; L30-I38 HydrophobicContact CG-CG1 4.49Å; E35-I38 PolarHBondContact O-N 2.75Å; E35-I38 VanDerWaalsContact O-N 3.13Å; I38-Y47 HydrophobicContact CG2-CD1 3.88Å; I38-I49 HydrophobicContact CD1-CG1 4.34Å; I38-T150 HydrophobicContact CD1-CG2 3.47Å; I38-T150 VanDerWaalsContact CD1-CG2 3.47Å
39Y95.4Very high95Very high157 Ų15776.2 Ų76.262%0.61637%0.365SS*.EExtended strand (participates in β ladder)trans-92.8-58.8171.3-175.1-114.8000111.7I48Y39-I48 PolarHBondContact N-O 3.22Å
40K95.4Very high95Very high122 Ų12273.2 Ų73.253%0.5335%0.349SS..EExtended strand (participates in β ladder)trans-157.9165.117971.5-177.7-179.1175.60111.1I48K40-I48 HydrophobicContact CD-CD1 4.45Å; K40-I48 HydrophobicContact CG-CB 4.38Å; K40-I48 HydrophobicContact CG-CD1 3.95Å; K40-I48 WeakPolarHBondContact O-CB 3.15Å; K40-I48 PolarHBondContact O-N 3.4Å
41R95.4Very high95Very high145 Ų14571.7 Ų71.755%0.54734%0.341SS..EExtended strand (participates in β ladder)trans-93.6134.9168.4-161.7178.7-173.9-172.7-1.6110.2G45 Y47R41-G45 PolarHBondContact NE-O 3.22Å; R41-G45 VanDerWaalsContact NE-O 3.16Å; R41-Y47 HydrophobicContact CB-CD1 3.93Å; R41-Y47 HydrophobicContact CB-CE1 3.89Å; R41-Y47 HydrophobicContact CG-CD1 3.93Å; R41-Y47 HydrophobicContact CG-CE1 3.83Å; R41-Y47 HydrophobicContact CG-CE2 4.5Å; R41-Y47 HydrophobicContact CG-CG 4.36Å
42K94.2Very high94.9Very high81 Ų8176.2 Ų76.235%0.35236%0.359SS..  trans-79.2159.6172.2-167.7-176.1-78.4-173.80110D44 G45 I46 I48K42-D44 HydrophobicContact CD-CB 4.41Å; K42-D44 WeakPolarHBondContact CD-OD2 3.46Å; K42-D44 PolarHBondContact O-N 3.46Å; K42-G45 PolarHBondContact O-N 3.2Å; K42-G45 VanDerWaalsContact O-N 3.08Å; K42-I46 WeakPolarHBondContact CB-O 3.48Å; K42-I46 PolarHBondContact N-O 3.44Å; K42-I48 HydrophobicContact CB-CD1 4.44Å
43S94.5Very high94.9Very high115 Ų11573.5 Ų73.580%0.80434%0.344SS*.THydrogen-bonded Turntrans-49-36.1171.345.90000113.4G45S43-G45 PolarHBondContact O-N 3.16Å; S43-G45 VanDerWaalsContact O-N 3.13Å
44D92.6Very high94.9Very high111 Ų11169.8 Ų69.859%0.59433%0.327SS*.THydrogen-bonded Turntrans-76.71.4-174.7-42.2-20.2000112.5K42 I46K42-D44 HydrophobicContact CD-CB 4.41Å; K42-D44 WeakPolarHBondContact CD-OD2 3.46Å; K42-D44 PolarHBondContact O-N 3.46Å; D44-I46 VanDerWaalsContact C-N 3.32Å; D44-I46 PolarHBondContact O-N 2.96Å
45G93Very high94.9Very high13 Ų1370.1 Ų70.113%0.13433%0.328CS..SBendtrans88.2-12.4-179.400000114.8R41 K42 S43R41-G45 PolarHBondContact NE-O 3.22Å; R41-G45 VanDerWaalsContact NE-O 3.16Å; K42-G45 PolarHBondContact O-N 3.2Å; K42-G45 VanDerWaalsContact O-N 3.08Å; S43-G45 PolarHBondContact O-N 3.16Å; S43-G45 VanDerWaalsContact O-N 3.13Å
46I95Very high94.9Very high49 Ų4964.7 Ų64.725%0.25130%0.303SS..PPolyproline II helixtrans-71.6132.5176.8-63173.3000110.7G26 T28 K42 D44G26-I46 WeakPolarHBondContact O-CG2 3.29Å; T28-I46 HydrophobicContact CG2-CG1 4.5Å; K42-I46 WeakPolarHBondContact CB-O 3.48Å; K42-I46 PolarHBondContact N-O 3.44Å; D44-I46 VanDerWaalsContact C-N 3.32Å; D44-I46 PolarHBondContact O-N 2.96Å
47Y96.2Very high95Very high42 Ų4261.1 Ų61.117%0.16529%0.286CS..EExtended strand (participates in β ladder)trans-81.6134172.4-71.7-83.1000111.3G26 G27 T28 L30 I38 R41G26-Y47 VanDerWaalsContact CA-O 3.31Å; G26-Y47 WeakPolarHBondContact CA-O 3.37Å; G26-Y47 PolarHBondContact N-O 3.17Å; G27-Y47 PolarHBondContact O-N 2.81Å; T28-Y47 VanDerWaalsContact O-CE2 3.29Å; T28-Y47 WeakPolarHBondContact O-CE2 3.45Å; L30-Y47 HydrophobicContact CB-CD2 4.13Å; L30-Y47 HydrophobicContact CB-CE1 4.33Å; L30-Y47 HydrophobicContact CB-CE2 3.76Å; L30-Y47 HydrophobicContact CD2-CD1 4.43Å; L30-Y47 HydrophobicContact CD2-CE1 4.02Å; I38-Y47 HydrophobicContact CG2-CD1 3.88Å; R41-Y47 HydrophobicContact CB-CD1 3.93Å; R41-Y47 HydrophobicContact CB-CE1 3.89Å; R41-Y47 HydrophobicContact CG-CD1 3.93Å; R41-Y47 HydrophobicContact CG-CE1 3.83Å; R41-Y47 HydrophobicContact CG-CE2 4.5Å; R41-Y47 HydrophobicContact CG-CG 4.36Å
48I96.5Very high95Very high26 Ų2660.5 Ų60.513%0.13328%0.283CS..EExtended strand (participates in β ladder)trans-92.8123.7176.2-61.8174.9000108.6H24 Y39 K40 K42H24-I48 CarbonylContact O-C 3.58Å; H24-I48 WeakPolarHBondContact O-CA 3.39Å; Y39-I48 PolarHBondContact N-O 3.22Å; K40-I48 HydrophobicContact CD-CD1 4.45Å; K40-I48 HydrophobicContact CG-CB 4.38Å; K40-I48 HydrophobicContact CG-CD1 3.95Å; K40-I48 WeakPolarHBondContact O-CB 3.15Å; K40-I48 PolarHBondContact O-N 3.4Å; K42-I48 HydrophobicContact CB-CD1 4.44Å
49I96.7Very high94.9Very high3 Ų359.1 Ų59.12%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-81.1138.1178.1-59.9174.2000109.6H24 I38 L51 T150 P162H24-I49 PolarHBondContact O-N 3.31Å; I38-I49 HydrophobicContact CD1-CG1 4.34Å; I49-L51 PolarHBondContact O-N 3.21Å; I49-T150 HydrophobicContact CD1-CG2 4.08Å; I49-T150 HydrophobicContact CG1-CG2 3.89Å; I49-P162 HydrophobicContact CG2-CB 3.79Å; I49-P162 HydrophobicContact CG2-CG 4.32Å
50N95.8Very high94.9Very high46 Ų4655 Ų5525%0.24626%0.264CS..  trans-77.1105.5176.9-171.9-17.6000111.4Y37 K52 R53 T54Y37-N50 WeakPolarHBondContact O-CB 3.4Å; Y37-N50 PolarHBondContact O-N 3.4Å; N50-K52 PolarHBondContact O-N 3.2Å; N50-K52 VanDerWaalsContact O-N 3.16Å; N50-K52 WeakPolarHBondContact OD1-CB 3.15Å; N50-K52 PolarHBondContact OD1-N 2.59Å; N50-K52 VanDerWaalsContact OD1-N 3.09Å; N50-R53 HydrophobicContact CB-CB 4.38Å; N50-R53 HydrophobicContact CB-CG 4.12Å; N50-R53 WeakPolarHBondContact O-CB 3.39Å; N50-R53 PolarHBondContact O-N 3.35Å; N50-T54 PolarHBondContact O-N 3.44Å; N50-T54 VanDerWaalsContact O-N 3.11Å; N50-T54 PolarHBondContact O-OG1 2.68Å
51L95Very high95Very high22 Ų2249.2 Ų49.212%0.11524%0.239CC..Hα-helixtrans-58.4-29.2-178.8-67.9-179.2000114M10 F18 L19 H24 I49 R53 T54 W55M10-L51 HydrophobicContact CE-CB 4.09Å; F18-L51 HydrophobicContact CB-CD1 3.94Å; F18-L51 HydrophobicContact CB-CD2 3.93Å; F18-L51 HydrophobicContact CD1-CD2 4.44Å; F18-L51 HydrophobicContact CG-CD2 4.13Å; L19-L51 HydrophobicContact CD2-CD1 4.04Å; L19-L51 HydrophobicContact CG-CD1 4.46Å; H24-L51 HydrophobicContact CB-CD1 4.32Å; H24-L51 HydrophobicContact CB-CD2 4.04Å; H24-L51 HydrophobicContact CB-CG 4.13Å; I49-L51 PolarHBondContact O-N 3.21Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 3.16Å; L51-T54 WeakPolarHBondContact O-CB 3.33Å; L51-T54 PolarHBondContact O-N 3.48Å; L51-W55 PolarHBondContact O-N 3.22Å
52K93.6Very high95Very high132 Ų13242.3 Ų42.357%0.57421%0.213SC*.Hα-helixtrans-62-41.6174.6-176.8176.5178.7174.50110.9N50 W55 E56N50-K52 PolarHBondContact O-N 3.2Å; N50-K52 VanDerWaalsContact O-N 3.16Å; N50-K52 WeakPolarHBondContact OD1-CB 3.15Å; N50-K52 PolarHBondContact OD1-N 2.59Å; N50-K52 VanDerWaalsContact OD1-N 3.09Å; K52-W55 PolarHBondContact O-N 2.91Å; K52-E56 WeakPolarHBondContact CE-OE1 3.16Å; K52-E56 WeakPolarHBondContact O-CG 3.38Å; K52-E56 PolarHBondContact O-N 3.04Å
53R93.7Very high95Very high98 Ų9842.9 Ų42.937%0.3721%0.213SC..Hα-helixtrans-71-37.7177.1-62.6-57.7-169.1-1703.5111.7Y37 N50 L51 E56 K57Y37-R53 HydrophobicContact CD1-CB 4Å; N50-R53 HydrophobicContact CB-CB 4.38Å; N50-R53 HydrophobicContact CB-CG 4.12Å; N50-R53 WeakPolarHBondContact O-CB 3.39Å; N50-R53 PolarHBondContact O-N 3.35Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 3.16Å; R53-E56 IonicContact CZ-OE2 3.97Å; R53-E56 IonicContact NH1-OE1 3.92Å; R53-E56 IonicContact NH1-OE2 2.9Å; R53-E56 PolarHBondContact NH1-OE2 3.33Å; R53-E56 PolarHBondContact O-N 3.01Å; R53-K57 WeakPolarHBondContact O-CB 3.37Å; R53-K57 WeakPolarHBondContact O-CG 3.35Å; R53-K57 PolarHBondContact O-N 3.24Å
54T95.5Very high95Very high0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-56.2-49.9172-52.80000111.1F18 N50 L51 K57 L58 I161 P162 M174F18-T54 HydrophobicContact CE1-CG2 4.46Å; N50-T54 PolarHBondContact O-N 3.44Å; N50-T54 VanDerWaalsContact O-N 3.11Å; N50-T54 PolarHBondContact O-OG1 2.68Å; L51-T54 WeakPolarHBondContact O-CB 3.33Å; L51-T54 PolarHBondContact O-N 3.48Å; T54-K57 PolarHBondContact O-N 3.47Å; T54-L58 VanDerWaalsContact O-CB 3.3Å; T54-L58 WeakPolarHBondContact O-CB 3.47Å; T54-L58 PolarHBondContact O-N 2.82Å; T54-I161 HydrophobicContact CG2-CG2 4.41Å; T54-P162 WeakPolarHBondContact CB-O 3.31Å; T54-P162 WeakPolarHBondContact CG2-O 3.26Å; T54-P162 PolarHBondContact OG1-O 3.18Å; T54-M174 HydrophobicContact CG2-CE 3.91Å; T54-M174 HydrophobicContact CG2-SD 4.19Å
55W95Very high95.2Very high8 Ų833.5 Ų33.53%0.0316%0.158CC..Hα-helixtrans-62.9-45.5178.5-176.2-107000112.7L8 M10 F18 L51 K52 K57 L58 L59 M177 E181L8-W55 PolarHBondContact O-NE1 3.4Å; M10-W55 HydrophobicContact CB-CD2 4.24Å; M10-W55 HydrophobicContact CB-CG 3.96Å; M10-W55 HydrophobicContact CG-CB 4.41Å; M10-W55 HydrophobicContact CG-CD2 4.15Å; M10-W55 HydrophobicContact CG-CG 4.06Å; M10-W55 HydrophobicContact SD-CB 4.22Å; M10-W55 HydrophobicContact SD-CG 4.49Å; F18-W55 HydrophobicContact CE2-CE3 4.05Å; F18-W55 HydrophobicContact CZ-CE3 4.21Å; L51-W55 PolarHBondContact O-N 3.22Å; K52-W55 PolarHBondContact O-N 2.91Å; W55-K57 VanDerWaalsContact C-N 3.31Å; W55-K57 PolarHBondContact O-N 3.02Å; W55-L58 HydrophobicContact CE3-CD2 4.06Å; W55-L58 HydrophobicContact CZ3-CD2 4.06Å; W55-L58 PolarHBondContact O-N 2.91Å; W55-L59 HydrophobicContact CZ2-CD1 4.36Å; W55-L59 HydrophobicContact CZ2-CD2 4.34Å; W55-L59 HydrophobicContact CZ2-CG 4.45Å; W55-L59 PolarHBondContact O-N 2.91Å; W55-M177 HydrophobicContact CZ3-SD 4.1Å; W55-E181 HydrophobicContact CH2-CG 4.25Å
56E94.1Very high95.3Very high19 Ų1935.1 Ų35.19%0.08917%0.165CC..Hα-helixtrans-60.7-39.4177.8-75.9174.5-173.100112.6K52 R53 L60K52-E56 WeakPolarHBondContact CE-OE1 3.16Å; K52-E56 WeakPolarHBondContact O-CG 3.38Å; K52-E56 PolarHBondContact O-N 3.04Å; R53-E56 IonicContact CZ-OE2 3.97Å; R53-E56 IonicContact NH1-OE1 3.92Å; R53-E56 IonicContact NH1-OE2 2.9Å; R53-E56 PolarHBondContact NH1-OE2 3.33Å; R53-E56 PolarHBondContact O-N 3.01Å; E56-L60 PolarHBondContact O-N 3.03Å; E56-L60 VanDerWaalsContact O-N 3.15Å
57K95.7Very high95.3Very high52 Ų5236.5 Ų36.523%0.22618%0.184CC..Hα-helixtrans-75.5-35.3178-74-72.1-176.3155.90112.5Y37 R53 T54 W55 L60 A61 A160 I161Y37-K57 HydrophobicContact CE1-CD 4.35Å; Y37-K57 HydrophobicContact CE1-CG 4.01Å; Y37-K57 WeakPolarHBondContact OH-CE 3.2Å; Y37-K57 PolarHBondContact OH-NZ 3.46Å; R53-K57 WeakPolarHBondContact O-CB 3.37Å; R53-K57 WeakPolarHBondContact O-CG 3.35Å; R53-K57 PolarHBondContact O-N 3.24Å; T54-K57 PolarHBondContact O-N 3.47Å; W55-K57 VanDerWaalsContact C-N 3.31Å; W55-K57 PolarHBondContact O-N 3.02Å; K57-L60 HydrophobicContact CD-CD2 4.25Å; K57-L60 WeakPolarHBondContact O-CB 3.43Å; K57-L60 PolarHBondContact O-N 3.17Å; K57-A61 PolarHBondContact O-N 2.82Å; K57-A160 WeakPolarHBondContact CD-O 3.41Å; K57-A160 WeakPolarHBondContact CG-O 3.31Å; K57-I161 HydrophobicContact CB-CG1 4.45Å
58L95.8Very high95.2Very high0 Ų035.5 Ų35.50%018%0.181CC..Hα-helixtrans-60.1-45.9173-174.969.6000111.3T54 W55 A61 A62 I161 M174 M177 L178T54-L58 VanDerWaalsContact O-CB 3.3Å; T54-L58 WeakPolarHBondContact O-CB 3.47Å; T54-L58 PolarHBondContact O-N 2.82Å; W55-L58 HydrophobicContact CE3-CD2 4.06Å; W55-L58 HydrophobicContact CZ3-CD2 4.06Å; W55-L58 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 2.84Å; L58-A62 PolarHBondContact O-N 2.89Å; L58-I161 HydrophobicContact CD1-CD1 4.23Å; L58-M174 HydrophobicContact CD1-CE 3.99Å; L58-M177 HydrophobicContact CD2-CB 3.81Å; L58-L178 HydrophobicContact CD1-CB 3.87Å; L58-L178 HydrophobicContact CD1-CD1 4.07Å; L58-L178 HydrophobicContact CD1-CG 3.97Å
59L94.6Very high95.1Very high1 Ų142.7 Ų42.71%0.00521%0.214CC..Hα-helixtrans-66-36.9175.9-72.4175.6000112.7L8 W55 A61 A62 R63 E181 M185L8-L59 HydrophobicContact CB-CD1 4.13Å; L8-L59 WeakPolarHBondContact O-CD1 3.22Å; W55-L59 HydrophobicContact CZ2-CD1 4.36Å; W55-L59 HydrophobicContact CZ2-CD2 4.34Å; W55-L59 HydrophobicContact CZ2-CG 4.45Å; W55-L59 PolarHBondContact O-N 2.91Å; L59-A61 VanDerWaalsContact C-N 3.33Å; L59-A62 PolarHBondContact O-N 2.98Å; L59-R63 WeakPolarHBondContact O-CG 3.46Å; L59-R63 PolarHBondContact O-N 3.27Å; L59-E181 HydrophobicContact CD2-CB 4.41Å; L59-E181 HydrophobicContact CD2-CG 4.01Å; L59-M185 HydrophobicContact CD2-CE 3.83Å
60L95.2Very high95Very high70 Ų7046 Ų4637%0.36623%0.232SC..Hα-helixtrans-60.1-45.7174.2-172.286000110.7E56 K57 R63 A64 I159E56-L60 PolarHBondContact O-N 3.03Å; E56-L60 VanDerWaalsContact O-N 3.15Å; K57-L60 HydrophobicContact CD-CD2 4.25Å; K57-L60 WeakPolarHBondContact O-CB 3.43Å; K57-L60 PolarHBondContact O-N 3.17Å; L60-R63 PolarHBondContact O-N 2.93Å; L60-A64 PolarHBondContact O-N 2.96Å; L60-A64 VanDerWaalsContact O-N 3.1Å; L60-I159 HydrophobicContact CD2-CD1 3.86Å; L60-I159 HydrophobicContact CD2-CG1 3.94Å; L60-I159 HydrophobicContact CD2-CG2 3.92Å; L60-I159 HydrophobicContact CG-CD1 4.15Å
61A96.3Very high94.9Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-64-43.4176.800000112.5K57 L58 L59 R63 A64 I65 I145 I159 I161K57-A61 PolarHBondContact O-N 2.82Å; L58-A61 PolarHBondContact O-N 2.84Å; L59-A61 VanDerWaalsContact C-N 3.33Å; A61-R63 VanDerWaalsContact C-N 3.31Å; A61-R63 PolarHBondContact O-N 3.35Å; A61-A64 PolarHBondContact O-N 2.93Å; A61-A64 VanDerWaalsContact O-N 3.15Å; A61-I65 WeakPolarHBondContact O-CG1 3.41Å; A61-I65 PolarHBondContact O-N 3.38Å; A61-I145 HydrophobicContact CB-CD1 3.81Å; A61-I145 HydrophobicContact CB-CG2 3.78Å; A61-I159 HydrophobicContact CB-CG2 4.26Å; A61-I161 HydrophobicContact CB-CD1 3.68Å; A61-I161 HydrophobicContact CB-CG1 4.3Å
62A95.4Very high94.9Very high0 Ų046.6 Ų46.60%024%0.243CC..Hα-helixtrans-58.6-42175.700000111.9L58 L59 A64 I65 V66 E181 V182 M185L58-A62 PolarHBondContact O-N 2.89Å; L59-A62 PolarHBondContact O-N 2.98Å; A62-A64 PolarHBondContact O-N 3.4Å; A62-I65 PolarHBondContact O-N 3.32Å; A62-V66 WeakPolarHBondContact O-CG2 3.33Å; A62-V66 PolarHBondContact O-N 2.97Å; A62-E181 HydrophobicContact CB-CB 3.99Å; A62-V182 HydrophobicContact CB-CG2 3.98Å; A62-M185 HydrophobicContact CB-CE 3.93Å; A62-M185 HydrophobicContact CB-SD 4.16Å
63R94.4Very high94.9Very high93 Ų9342.7 Ų42.735%0.35123%0.228SC..Hα-helixtrans-62.4-41.7174.7-71.7177.4-174176.13.2112.7S2 L59 L60 A61 I65 V66 A67 M185S2-R63 PolarHBondContact O-NH2 3.27Å; L59-R63 WeakPolarHBondContact O-CG 3.46Å; L59-R63 PolarHBondContact O-N 3.27Å; L60-R63 PolarHBondContact O-N 2.93Å; A61-R63 VanDerWaalsContact C-N 3.31Å; A61-R63 PolarHBondContact O-N 3.35Å; R63-I65 VanDerWaalsContact C-N 3.32Å; R63-I65 PolarHBondContact O-N 2.76Å; R63-V66 PolarHBondContact O-N 2.9Å; R63-A67 PolarHBondContact O-N 3.15Å; R63-A67 VanDerWaalsContact O-N 3.11Å; R63-M185 HydrophobicContact CB-SD 4.47Å; R63-M185 HydrophobicContact CG-CE 3.87Å; R63-M185 HydrophobicContact CG-SD 3.68Å
64A95.5Very high95.1Very high29 Ų2938 Ų3824%0.2421%0.211CC..Hα-helixtrans-63.2-39.1178.100000111.9L60 A61 A62 A67 L121 I145 I159L60-A64 PolarHBondContact O-N 2.96Å; L60-A64 VanDerWaalsContact O-N 3.1Å; A61-A64 PolarHBondContact O-N 2.93Å; A61-A64 VanDerWaalsContact O-N 3.15Å; A62-A64 PolarHBondContact O-N 3.4Å; A64-A67 PolarHBondContact O-N 3.38Å; A64-L121 HydrophobicContact CB-CD1 4.07Å; A64-I145 HydrophobicContact CB-CD1 4.13Å; A64-I159 HydrophobicContact CB-CD1 4.1Å
65I95.9Very high95.1Very high1 Ų138.1 Ų38.11%0.00521%0.211CC..Hα-helixtrans-69.2-36.9176.8-70.2157.8000111.9A61 A62 R63 A67 I68 V74 L121 V123 I145 L178 V182A61-I65 WeakPolarHBondContact O-CG1 3.41Å; A61-I65 PolarHBondContact O-N 3.38Å; A62-I65 PolarHBondContact O-N 3.32Å; R63-I65 VanDerWaalsContact C-N 3.32Å; R63-I65 PolarHBondContact O-N 2.76Å; I65-A67 VanDerWaalsContact C-N 3.27Å; I65-A67 PolarHBondContact O-N 3.36Å; I65-I68 PolarHBondContact O-N 2.97Å; I65-V74 HydrophobicContact CG2-CG2 4.49Å; I65-L121 HydrophobicContact CG1-CD1 4.43Å; I65-L121 HydrophobicContact CG1-CD2 3.89Å; I65-V123 HydrophobicContact CD1-CG2 4.05Å; I65-V123 HydrophobicContact CG1-CG2 4.41Å; I65-I145 HydrophobicContact CD1-CD1 4.44Å; I65-I145 HydrophobicContact CG1-CD1 4.38Å; I65-L178 HydrophobicContact CD1-CD1 4.49Å; I65-L178 HydrophobicContact CD1-CD2 3.41Å; I65-L178 VanDerWaalsContact CD1-CD2 3.41Å; I65-V182 HydrophobicContact CB-CG2 4.13Å; I65-V182 HydrophobicContact CD1-CG2 4.39Å; I65-V182 HydrophobicContact CG2-CG1 4.02Å; I65-V182 HydrophobicContact CG2-CG2 3.9Å
66V95.2Very high95.2Very high46 Ų4637.7 Ų37.728%0.27921%0.21SC..Hα-helixtrans-69.8-26.6178174.10000112A62 R63 I68 V182 M185 R186A62-V66 WeakPolarHBondContact O-CG2 3.33Å; A62-V66 PolarHBondContact O-N 2.97Å; R63-V66 PolarHBondContact O-N 2.9Å; V66-I68 PolarHBondContact O-N 3.02Å; V66-V182 HydrophobicContact CG2-CG1 4.12Å; V66-M185 HydrophobicContact CG1-CB 4.34Å; V66-M185 HydrophobicContact CG2-CB 3.64Å; V66-M185 HydrophobicContact CG2-SD 4.23Å; V66-R186 HydrophobicContact CG1-CG 4.47Å; V66-R186 HydrophobicContact CG2-CG 4.33Å
67A95.6Very high95.3Very high79 Ų7936.8 Ų36.865%0.65321%0.205SC*.THydrogen-bonded Turntrans-68.9-14.5178.100000113.9R63 A64 I65R63-A67 PolarHBondContact O-N 3.15Å; R63-A67 VanDerWaalsContact O-N 3.11Å; A64-A67 PolarHBondContact O-N 3.38Å; I65-A67 VanDerWaalsContact C-N 3.27Å; I65-A67 PolarHBondContact O-N 3.36Å
68I94.7Very high95.3Very high20 Ų2034.3 Ų34.310%0.10320%0.195CC..  trans-83120.2175.3-53.5-69.5000109I65 V66 N70 D73 V74 R120 L121I65-I68 PolarHBondContact O-N 2.97Å; V66-I68 PolarHBondContact O-N 3.02Å; I68-N70 WeakPolarHBondContact CG2-O 3.44Å; I68-D73 HydrophobicContact CG2-CB 4.1Å; I68-V74 HydrophobicContact CB-CG2 4.11Å; I68-V74 HydrophobicContact CG1-CG2 3.97Å; I68-V74 HydrophobicContact CG2-CG2 4.21Å; I68-R120 HydrophobicContact CD1-CB 3.87Å; I68-L121 HydrophobicContact CD1-CB 4.24Å; I68-L121 HydrophobicContact CG1-CB 4.27Å; I68-L121 HydrophobicContact CG1-CD1 4.48Å
69E92.9Very high95.2Very high178 Ų17836.2 Ų36.283%0.83221%0.208SC*.SBendtrans-61.5-47.7-178.5-64.5173.4175.400112.5P71E69-P71 WeakPolarHBondContact O-CD 3.33Å
70N94.3Very high95Very high73 Ų7338.7 Ų38.739%0.3922%0.217SC..SBendtrans-94.6111.1175.8-178.116.1000110.8I68 A72 D73I68-N70 WeakPolarHBondContact CG2-O 3.44Å; N70-A72 PolarHBondContact O-N 2.97Å; N70-A72 VanDerWaalsContact O-N 3.13Å; N70-A72 PolarHBondContact OD1-N 3.28Å; N70-D73 PolarHBondContact ND2-OD1 3.22Å; N70-D73 PolarHBondContact O-N 2.94Å; N70-D73 VanDerWaalsContact O-N 3.13Å
71P94Very high94.8Very high42 Ų4238.9 Ų38.927%0.27322%0.218SC..G310 helixtrans-58.8-28.3-179.923.4-34000113.9E69 D73 V74 T94 G95 A96E69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-D73 PolarHBondContact O-N 3.48Å; P71-V74 PolarHBondContact O-N 2.94Å; P71-T94 WeakPolarHBondContact CB-O 3.48Å; P71-G95 CarbonylContact C-O 3.54Å; P71-A96 WeakPolarHBondContact O-CA 3.43Å
72A94.5Very high94.6Very high38 Ų3839.5 Ų39.531%0.31422%0.222SC..G310 helixtrans-68.4-22.8-178.700000113.3N70 V74 G95 T97N70-A72 PolarHBondContact O-N 2.97Å; N70-A72 VanDerWaalsContact O-N 3.13Å; N70-A72 PolarHBondContact OD1-N 3.28Å; A72-V74 PolarHBondContact O-N 2.81Å; A72-G95 WeakPolarHBondContact CA-O 3.4Å; A72-G95 PolarHBondContact N-O 2.98Å; A72-T97 HydrophobicContact CB-CG2 4.48Å; A72-T97 WeakPolarHBondContact O-CG2 3.47Å; A72-T97 PolarHBondContact O-OG1 3.4Å; A72-T97 VanDerWaalsContact O-OG1 3.06Å
73D95.1Very high94.4Very high49 Ų4939.5 Ų39.526%0.26222%0.222SC..G310 helixtrans-74.3-4.6178.2-62.4-5.9000112.4I68 N70 P71 P119 R120I68-D73 HydrophobicContact CG2-CB 4.1Å; N70-D73 PolarHBondContact ND2-OD1 3.22Å; N70-D73 PolarHBondContact O-N 2.94Å; N70-D73 VanDerWaalsContact O-N 3.13Å; P71-D73 PolarHBondContact O-N 3.48Å; D73-P119 CarbonylContact O-C 3.59Å; D73-P119 WeakPolarHBondContact O-CA 3.49Å; D73-P119 VanDerWaalsContact O-CB 3.29Å; D73-P119 WeakPolarHBondContact O-CB 3.44Å; D73-R120 HydrophobicContact CB-CB 4.21Å; D73-R120 HydrophobicContact CB-CG 4.04Å; D73-R120 PolarHBondContact O-N 2.73Å
74V96.4Very high94.3Very high1 Ų138 Ų381%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-89.9117.3171.8-177.90000108.6I65 I68 P71 A72 V76 A96 T97 L121 V123I65-V74 HydrophobicContact CG2-CG2 4.49Å; I68-V74 HydrophobicContact CB-CG2 4.11Å; I68-V74 HydrophobicContact CG1-CG2 3.97Å; I68-V74 HydrophobicContact CG2-CG2 4.21Å; P71-V74 PolarHBondContact O-N 2.94Å; A72-V74 PolarHBondContact O-N 2.81Å; V74-V76 HydrophobicContact CG1-CG2 4.39Å; V74-A96 HydrophobicContact CB-CB 4.14Å; V74-A96 HydrophobicContact CG1-CB 4.33Å; V74-A96 WeakPolarHBondContact O-CB 3.49Å; V74-T97 PolarHBondContact O-N 3.32Å; V74-T97 PolarHBondContact O-OG1 2.93Å; V74-L121 WeakPolarHBondContact CA-O 3.46Å; V74-L121 HydrophobicContact CG1-CD2 3.88Å; V74-L121 HydrophobicContact CG2-CB 4.37Å; V74-V123 HydrophobicContact CG1-CG2 4.19Å
75S96.1Very high94.2Very high1 Ų140 Ų401%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-97.8138173.4-81.70000111.7T97 P119 L121 L122 V123S75-T97 WeakPolarHBondContact CA-O 3.18Å; S75-T97 WeakPolarHBondContact CA-OG1 3.48Å; S75-T97 PolarHBondContact OG-OG1 3.34Å; S75-P119 WeakPolarHBondContact OG-CB 3.45Å; S75-L121 PolarHBondContact N-O 3.45Å; S75-L122 WeakPolarHBondContact O-CA 3.35Å; S75-V123 PolarHBondContact O-N 2.74Å
76V97Very high94.2Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans-123.8120-174.3-169.80000108.5V74 V87 F90 A96 T97 I99 V123 W175V74-V76 HydrophobicContact CG1-CG2 4.39Å; V76-V87 HydrophobicContact CB-CG1 3.91Å; V76-V87 HydrophobicContact CG1-CB 4.13Å; V76-V87 HydrophobicContact CG1-CG1 3.61Å; V76-V87 HydrophobicContact CG1-CG2 3.77Å; V76-V87 WeakPolarHBondContact O-CG1 3.34Å; V76-F90 HydrophobicContact CB-CD1 4.46Å; V76-F90 HydrophobicContact CG1-CD1 4Å; V76-F90 HydrophobicContact CG1-CE1 4.46Å; V76-F90 HydrophobicContact CG2-CD1 3.8Å; V76-F90 HydrophobicContact CG2-CE1 3.74Å; V76-A96 HydrophobicContact CG2-CB 3.71Å; V76-T97 PolarHBondContact N-O 2.87Å; V76-I99 PolarHBondContact O-N 3.28Å; V76-V123 WeakPolarHBondContact CA-O 3.22Å; V76-W175 HydrophobicContact CG1-CE3 4.33Å; V76-W175 HydrophobicContact CG1-CH2 3.13Å; V76-W175 HydrophobicContact CG1-CZ2 3.92Å; V76-W175 HydrophobicContact CG1-CZ3 3.36Å
77I96.3Very high94.2Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-125.4134.2-168.3-48.9-161.5000111.9I99 F103 F108 L122 V123 T125 P133I77-I99 WeakPolarHBondContact CA-O 3.27Å; I77-I99 HydrophobicContact CD1-CB 4.26Å; I77-I99 HydrophobicContact CD1-CD1 3.75Å; I77-I99 HydrophobicContact CG1-CB 4.02Å; I77-I99 HydrophobicContact CG1-CD1 4.17Å; I77-I99 HydrophobicContact CG2-CB 4.46Å; I77-I99 HydrophobicContact CG2-CG2 4.45Å; I77-F103 HydrophobicContact CD1-CD2 3.84Å; I77-F103 HydrophobicContact CD1-CE2 3.66Å; I77-F103 HydrophobicContact CG2-CD2 4.34Å; I77-F108 HydrophobicContact CD1-CE2 4.32Å; I77-F108 HydrophobicContact CD1-CZ 3.74Å; I77-L122 HydrophobicContact CD1-CD1 3.52Å; I77-L122 HydrophobicContact CG1-CD1 3.61Å; I77-V123 PolarHBondContact N-O 3.31Å; I77-T125 PolarHBondContact O-N 3.12Å; I77-P133 HydrophobicContact CD1-CB 3.84Å; I77-P133 HydrophobicContact CD1-CG 4.38Å; I77-P133 HydrophobicContact CG2-CG 4.21Å
78S95.9Very high94.2Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-146113.7168.9-178.10000110.6R80 G83 Q84 I99 G101 T125S78-R80 PolarHBondContact OG-O 2.79Å; S78-G83 VanDerWaalsContact OG-C 3.28Å; S78-G83 VanDerWaalsContact OG-CA 3.24Å; S78-G83 WeakPolarHBondContact OG-CA 3.39Å; S78-Q84 PolarHBondContact OG-N 3.48Å; S78-I99 PolarHBondContact N-O 2.97Å; S78-G101 PolarHBondContact O-N 2.79Å; S78-T125 VanDerWaalsContact CB-CG2 3.47Å; S78-T125 WeakPolarHBondContact CB-OG1 3.3Å; S78-T125 PolarHBondContact OG-OG1 3.18Å; S78-T125 VanDerWaalsContact OG-OG1 3.13Å
79S93.6Very high94.3Very high39 Ų3941.3 Ų41.327%0.27321%0.211SC..  trans-78.2-32.7167.864.10000112.3Q84 G101 D130S79-Q84 PolarHBondContact O-NE2 3.07Å; S79-G101 VanDerWaalsContact CA-O 3.31Å; S79-G101 WeakPolarHBondContact CA-O 3.39Å; S79-D130 WeakPolarHBondContact CA-OD1 3.48Å; S79-D130 WeakPolarHBondContact CB-OD1 3.31Å; S79-D130 PolarHBondContact N-OD1 2.52Å; S79-D130 PolarHBondContact OG-OD1 2.78Å
80R91.2Very high94.5Very high53 Ų5332.9 Ų32.920%0.217%0.171CC..SBendtrans-69.5137.1-179.9-66.5-175.762.9-167.8-14.1111.8S78 T82 G83 Q84 D126 A129 N165S78-R80 PolarHBondContact OG-O 2.79Å; R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.24Å; R80-G83 PolarHBondContact O-N 3.18Å; R80-G83 VanDerWaalsContact O-N 3.12Å; R80-Q84 WeakPolarHBondContact O-CG 3.3Å; R80-Q84 PolarHBondContact O-N 2.96Å; R80-D126 VanDerWaalsContact CD-OD2 3.29Å; R80-D126 WeakPolarHBondContact CD-OD2 3.04Å; R80-D126 IonicContact CZ-OD2 2.82Å; R80-D126 IonicContact NE-OD2 3.81Å; R80-D126 IonicContact NH1-OD2 3.88Å; R80-D126 PolarHBondContact NH1-OD2 3.14Å; R80-A129 HydrophobicContact CG-CB 3.44Å; R80-A129 VanDerWaalsContact CG-CB 3.44Å; R80-N165 PolarHBondContact NH1-O 3.47Å; R80-N165 PolarHBondContact NH2-O 3.29Å
81N91.3Very high94.5Very high74 Ų7429.6 Ų29.640%0.39615%0.154SC..Hα-helixtrans-50.7-44.1175.559.5-20000112.8G83 Q84 Y204N81-G83 PolarHBondContact O-N 3.32Å; N81-G83 VanDerWaalsContact O-N 3.1Å; N81-Q84 PolarHBondContact O-N 3.36Å; N81-Y204 HydrophobicContact CB-CE1 4.34Å; N81-Y204 HydrophobicContact CB-CE2 4.08Å; N81-Y204 WeakPolarHBondContact O-CD2 3.42Å
82T90.7Very high94.6Very high14 Ų1431.7 Ų31.79%0.08618%0.175CC..Hα-helixtrans-56.6-29.2-179.351.40000114.2R80 Y204R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.24Å; T82-Y204 HydrophobicContact CG2-CD1 4.44Å; T82-Y204 WeakPolarHBondContact O-CB 3.49Å
83G91.4Very high94.6Very high0 Ų031.5 Ų31.50%017%0.174CC..Hα-helixtrans-102.4-16.4-177.100000114.6S78 R80 N81 R85 A86 V87S78-G83 VanDerWaalsContact OG-C 3.28Å; S78-G83 VanDerWaalsContact OG-CA 3.24Å; S78-G83 WeakPolarHBondContact OG-CA 3.39Å; R80-G83 PolarHBondContact O-N 3.18Å; R80-G83 VanDerWaalsContact O-N 3.12Å; N81-G83 PolarHBondContact O-N 3.32Å; N81-G83 VanDerWaalsContact O-N 3.1Å; G83-R85 PolarHBondContact O-N 3.19Å; G83-A86 PolarHBondContact O-N 3.37Å; G83-A86 VanDerWaalsContact O-N 3.17Å; G83-V87 WeakPolarHBondContact O-CB 3.34Å; G83-V87 WeakPolarHBondContact O-CG2 3.41Å; G83-V87 PolarHBondContact O-N 3.44Å
84Q93.2Very high94.6Very high62 Ų6229.5 Ų29.529%0.2916%0.163SC..Hα-helixtrans-57.7-48.8-173.3-75.9169.513.800112.4S78 S79 R80 N81 V87 L88 A100S78-Q84 PolarHBondContact OG-N 3.48Å; S79-Q84 PolarHBondContact O-NE2 3.07Å; R80-Q84 WeakPolarHBondContact O-CG 3.3Å; R80-Q84 PolarHBondContact O-N 2.96Å; N81-Q84 PolarHBondContact O-N 3.36Å; Q84-V87 PolarHBondContact O-N 3.39Å; Q84-L88 WeakPolarHBondContact O-CG 3.45Å; Q84-L88 PolarHBondContact O-N 3.21Å; Q84-L88 VanDerWaalsContact O-N 3.14Å; Q84-A100 HydrophobicContact CB-CB 4.17Å; Q84-A100 HydrophobicContact CG-CB 4.15Å
85R93.8Very high94.5Very high69 Ų6931.4 Ų31.426%0.2618%0.183SC..Hα-helixtrans-63.6-43.6177.2177167.7166.5168.80.5112G83 V87 L88 K89 L201 F203G83-R85 PolarHBondContact O-N 3.19Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.86Å; R85-L88 PolarHBondContact O-N 3.16Å; R85-K89 WeakPolarHBondContact O-CG 3.36Å; R85-K89 PolarHBondContact O-N 3.34Å; R85-L201 PolarHBondContact NE-O 3.19Å; R85-L201 PolarHBondContact NH2-O 3.45Å; R85-F203 VanDerWaalsContact CD-O 3.22Å; R85-F203 WeakPolarHBondContact CD-O 3.39Å; R85-F203 PolarHBondContact NE-O 3.26Å
86A95.5Very high94.5Very high0 Ų031.8 Ų31.80%019%0.186CC..Hα-helixtrans-61.3-42.5179.500000111.7G83 K89 F90 W175 Y202G83-A86 PolarHBondContact O-N 3.37Å; G83-A86 VanDerWaalsContact O-N 3.17Å; A86-K89 PolarHBondContact O-N 3.01Å; A86-F90 WeakPolarHBondContact O-CB 3.47Å; A86-F90 PolarHBondContact O-N 3.27Å; A86-W175 HydrophobicContact CB-CB 3.93Å; A86-W175 VanDerWaalsContact CB-CD1 3.41Å; A86-W175 HydrophobicContact CB-CG 3.79Å; A86-Y202 HydrophobicContact CB-CD1 4.37Å; A86-Y202 WeakPolarHBondContact CB-O 3.43Å
87V95.8Very high94.5Very high0 Ų033.5 Ų33.50%020%0.197CC..Hα-helixtrans-63.5-44177.1165.20000111.7V76 G83 Q84 R85 K89 F90 A91 P98 T125 W175V76-V87 HydrophobicContact CB-CG1 3.91Å; V76-V87 HydrophobicContact CG1-CB 4.13Å; V76-V87 HydrophobicContact CG1-CG1 3.61Å; V76-V87 HydrophobicContact CG1-CG2 3.77Å; V76-V87 WeakPolarHBondContact O-CG1 3.34Å; G83-V87 WeakPolarHBondContact O-CB 3.34Å; G83-V87 WeakPolarHBondContact O-CG2 3.41Å; G83-V87 PolarHBondContact O-N 3.44Å; Q84-V87 PolarHBondContact O-N 3.39Å; R85-V87 VanDerWaalsContact C-N 3.34Å; R85-V87 PolarHBondContact O-N 2.86Å; V87-K89 PolarHBondContact O-N 2.83Å; V87-F90 PolarHBondContact O-N 2.89Å; V87-A91 VanDerWaalsContact O-CB 3.23Å; V87-A91 WeakPolarHBondContact O-CB 3.32Å; V87-A91 PolarHBondContact O-N 2.89Å; V87-P98 HydrophobicContact CG1-CB 3.99Å; V87-T125 HydrophobicContact CG2-CG2 4Å; V87-W175 HydrophobicContact CG2-CH2 4.31Å; V87-W175 HydrophobicContact CG2-CZ2 3.75Å
88L95.7Very high94.5Very high90 Ų9035.7 Ų35.747%0.47121%0.211SC..Hα-helixtrans-62.1-43.5177.1-69.5170.5000112Q84 R85 A92 P98 A100Q84-L88 WeakPolarHBondContact O-CG 3.45Å; Q84-L88 PolarHBondContact O-N 3.21Å; Q84-L88 VanDerWaalsContact O-N 3.14Å; R85-L88 PolarHBondContact O-N 3.16Å; L88-A92 WeakPolarHBondContact O-CB 3.46Å; L88-A92 PolarHBondContact O-N 3.05Å; L88-P98 HydrophobicContact CD2-CB 3.95Å; L88-P98 HydrophobicContact CD2-CG 4.09Å; L88-A100 HydrophobicContact CD1-CB 4.46Å; L88-A100 HydrophobicContact CD2-CB 4.27Å; L88-A100 HydrophobicContact CG-CB 4.18Å
89K95.6Very high94.4Very high85 Ų8536.9 Ų36.937%0.3722%0.217SC..Hα-helixtrans-69.1-39.8177.3-66-60.5-176.8-176.60112.3R85 A86 V87 A92 A93 L201 Y202R85-K89 WeakPolarHBondContact O-CG 3.36Å; R85-K89 PolarHBondContact O-N 3.34Å; A86-K89 PolarHBondContact O-N 3.01Å; V87-K89 PolarHBondContact O-N 2.83Å; K89-A92 PolarHBondContact O-N 3.42Å; K89-A93 WeakPolarHBondContact O-CB 3.33Å; K89-A93 PolarHBondContact O-N 3.38Å; K89-L201 HydrophobicContact CD-CD2 4.33Å; K89-L201 HydrophobicContact CD-CG 4.31Å; K89-Y202 HydrophobicContact CB-CD1 3.97Å; K89-Y202 HydrophobicContact CB-CD2 4.32Å; K89-Y202 HydrophobicContact CB-CE1 3.79Å; K89-Y202 HydrophobicContact CB-CE2 4.11Å; K89-Y202 HydrophobicContact CB-CG 4.24Å; K89-Y202 PolarHBondContact O-OH 2.87Å
90F96.6Very high94.5Very high0 Ų037 Ų370%022%0.221CC..Hα-helixtrans-61.2-47.3175.6176.7-90.2000111.8V76 A86 V87 A93 T94 A96 W175 L178 A179 Y202V76-F90 HydrophobicContact CB-CD1 4.46Å; V76-F90 HydrophobicContact CG1-CD1 4Å; V76-F90 HydrophobicContact CG1-CE1 4.46Å; V76-F90 HydrophobicContact CG2-CD1 3.8Å; V76-F90 HydrophobicContact CG2-CE1 3.74Å; A86-F90 WeakPolarHBondContact O-CB 3.47Å; A86-F90 PolarHBondContact O-N 3.27Å; V87-F90 PolarHBondContact O-N 2.89Å; F90-A93 PolarHBondContact O-N 3.43Å; F90-T94 HydrophobicContact CD2-CG2 4.36Å; F90-T94 HydrophobicContact CE1-CG2 4.18Å; F90-T94 HydrophobicContact CE2-CG2 3.89Å; F90-T94 HydrophobicContact CZ-CG2 3.78Å; F90-T94 PolarHBondContact O-N 2.83Å; F90-T94 PolarHBondContact O-OG1 3.38Å; F90-A96 HydrophobicContact CE1-CB 4.37Å; F90-W175 HydrophobicContact CB-CD2 4.49Å; F90-W175 HydrophobicContact CB-CE3 3.83Å; F90-W175 HydrophobicContact CB-CZ3 4.45Å; F90-W175 AromaticContact CD1-CE3 3.88Å; F90-W175 HydrophobicContact CD1-CE3 3.88Å; F90-W175 AromaticContact CD1-CZ3 3.72Å; F90-W175 HydrophobicContact CD1-CZ3 3.72Å; F90-W175 AromaticContact CD2-CE3 3.5Å; F90-W175 HydrophobicContact CD2-CE3 3.5Å; F90-W175 VanDerWaalsContact CD2-CE3 3.5Å; F90-W175 HydrophobicContact CD2-CZ3 4.05Å; F90-W175 WeakPolarHBondContact CD2-O 3.09Å; F90-W175 HydrophobicContact CE1-CE3 4.36Å; F90-W175 AromaticContact CE1-CZ3 3.93Å; F90-W175 HydrophobicContact CE1-CZ3 3.93Å; F90-W175 HydrophobicContact CE2-CE3 4.03Å; F90-W175 HydrophobicContact CE2-CZ3 4.25Å; F90-W175 HydrophobicContact CG-CD2 4.49Å; F90-W175 AromaticContact CG-CE3 3.43Å; F90-W175 HydrophobicContact CG-CE3 3.43Å; F90-W175 VanDerWaalsContact CG-CE3 3.43Å; F90-W175 AromaticContact CG-CZ3 3.79Å; F90-W175 HydrophobicContact CG-CZ3 3.79Å; F90-W175 HydrophobicContact CZ-CE3 4.44Å; F90-W175 HydrophobicContact CZ-CZ3 4.21Å; F90-L178 HydrophobicContact CE2-CB 4.05Å; F90-L178 HydrophobicContact CE2-CD2 3.37Å; F90-L178 HydrophobicContact CE2-CG 4.25Å; F90-L178 HydrophobicContact CZ-CD2 3.5Å; F90-L178 VanDerWaalsContact CZ-CD2 3.5Å; F90-A179 HydrophobicContact CD2-CB 3.61Å; F90-A179 HydrophobicContact CE2-CB 3.86Å; F90-Y202 HydrophobicContact CB-CE1 4Å
91A95.8Very high94.6Very high4 Ų435.1 Ų35.13%0.03322%0.218CC..Hα-helixtrans-61.8-45177.800000111.6V87 A93 T94 G95 A96 P98V87-A91 VanDerWaalsContact O-CB 3.23Å; V87-A91 WeakPolarHBondContact O-CB 3.32Å; V87-A91 PolarHBondContact O-N 2.89Å; A91-A93 VanDerWaalsContact C-N 3.31Å; A91-A93 PolarHBondContact O-N 3.39Å; A91-T94 PolarHBondContact O-N 2.84Å; A91-G95 WeakPolarHBondContact O-CA 3.34Å; A91-G95 PolarHBondContact O-N 3.49Å; A91-A96 VanDerWaalsContact CB-O 3.3Å; A91-A96 WeakPolarHBondContact CB-O 3.47Å; A91-A96 PolarHBondContact O-N 3.1Å; A91-P98 HydrophobicContact CB-CB 3.6Å; A91-P98 HydrophobicContact CB-CG 3.7Å
92A95.6Very high94.7Very high86 Ų8641.3 Ų41.371%0.71124%0.235SC*.Hα-helixtrans-61.2-37.6175.700000112.8L88 K89L88-A92 WeakPolarHBondContact O-CB 3.46Å; L88-A92 PolarHBondContact O-N 3.05Å; K89-A92 PolarHBondContact O-N 3.42Å
93A94.9Very high94.8Very high35 Ų3541.4 Ų41.429%0.28924%0.235SC..Hα-helixtrans-74.9-35.5179.700000113.3K89 F90 A91 A179 W195K89-A93 WeakPolarHBondContact O-CB 3.33Å; K89-A93 PolarHBondContact O-N 3.38Å; F90-A93 PolarHBondContact O-N 3.43Å; A91-A93 VanDerWaalsContact C-N 3.31Å; A91-A93 PolarHBondContact O-N 3.39Å; A93-A179 HydrophobicContact CB-CB 4.49Å; A93-W195 HydrophobicContact CB-CZ2 4.45Å
94T94.4Very high94.9Very high6 Ų644.4 Ų44.44%0.03725%0.253CS..Hα-helixtrans-99.8-14.9-173.656.90000114.1P71 F90 A91 A96 A179 V182 R186P71-T94 WeakPolarHBondContact CB-O 3.48Å; F90-T94 HydrophobicContact CD2-CG2 4.36Å; F90-T94 HydrophobicContact CE1-CG2 4.18Å; F90-T94 HydrophobicContact CE2-CG2 3.89Å; F90-T94 HydrophobicContact CZ-CG2 3.78Å; F90-T94 PolarHBondContact O-N 2.83Å; F90-T94 PolarHBondContact O-OG1 3.38Å; A91-T94 PolarHBondContact O-N 2.84Å; T94-A96 VanDerWaalsContact C-N 3.32Å; T94-A96 WeakPolarHBondContact OG1-CB 3.48Å; T94-A179 HydrophobicContact CG2-CB 4.25Å; T94-V182 HydrophobicContact CG2-CB 4.43Å; T94-V182 HydrophobicContact CG2-CG1 4.16Å; T94-R186 PolarHBondContact O-NH1 3.31Å
95G94.5Very high95Very high41 Ų4144.3 Ų44.342%0.42326%0.258SS..THydrogen-bonded Turntrans79.811.3-171.200000114.1P71 A72 A91P71-G95 CarbonylContact C-O 3.54Å; A72-G95 WeakPolarHBondContact CA-O 3.4Å; A72-G95 PolarHBondContact N-O 2.98Å; A91-G95 WeakPolarHBondContact O-CA 3.34Å; A91-G95 PolarHBondContact O-N 3.49Å
96A96Very high95Very high9 Ų941.4 Ų41.47%0.07425%0.25CC..  trans-73.6162.3177.200000112.1P71 V74 V76 F90 A91 T94 P98P71-A96 WeakPolarHBondContact O-CA 3.43Å; V74-A96 HydrophobicContact CB-CB 4.14Å; V74-A96 HydrophobicContact CG1-CB 4.33Å; V74-A96 WeakPolarHBondContact O-CB 3.49Å; V76-A96 HydrophobicContact CG2-CB 3.71Å; F90-A96 HydrophobicContact CE1-CB 4.37Å; A91-A96 VanDerWaalsContact CB-O 3.3Å; A91-A96 WeakPolarHBondContact CB-O 3.47Å; A91-A96 PolarHBondContact O-N 3.1Å; T94-A96 VanDerWaalsContact C-N 3.32Å; T94-A96 WeakPolarHBondContact OG1-CB 3.48Å; A96-P98 WeakPolarHBondContact O-CD 3.19Å
97T96.3Very high94.9Very high36 Ų3641.8 Ų41.822%0.22125%0.252CS..EExtended strand (participates in β ladder)trans-89.9114.1178.944.50000111.3A72 V74 S75 V76A72-T97 HydrophobicContact CB-CG2 4.48Å; A72-T97 WeakPolarHBondContact O-CG2 3.47Å; A72-T97 PolarHBondContact O-OG1 3.4Å; A72-T97 VanDerWaalsContact O-OG1 3.06Å; V74-T97 PolarHBondContact O-N 3.32Å; V74-T97 PolarHBondContact O-OG1 2.93Å; S75-T97 WeakPolarHBondContact CA-O 3.18Å; S75-T97 WeakPolarHBondContact CA-OG1 3.48Å; S75-T97 PolarHBondContact OG-OG1 3.34Å; V76-T97 PolarHBondContact N-O 2.87Å
98P96.3Very high94.9Very high47 Ų4742 Ų4231%0.30525%0.253SS..EExtended strand (participates in β ladder)trans-82.5144179.430.5-27.7000111.3V87 L88 A91 A96 R117V87-P98 HydrophobicContact CG1-CB 3.99Å; L88-P98 HydrophobicContact CD2-CB 3.95Å; L88-P98 HydrophobicContact CD2-CG 4.09Å; A91-P98 HydrophobicContact CB-CB 3.6Å; A91-P98 HydrophobicContact CB-CG 3.7Å; A96-P98 WeakPolarHBondContact O-CD 3.19Å; P98-R117 PolarHBondContact O-NH1 2.96Å
99I95Very high94.9Very high25 Ų2541.1 Ų41.113%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-130.895.2164.6-57.5169.7000106.6V76 I77 S78 F103 T107V76-I99 PolarHBondContact O-N 3.28Å; I77-I99 WeakPolarHBondContact CA-O 3.27Å; I77-I99 HydrophobicContact CD1-CB 4.26Å; I77-I99 HydrophobicContact CD1-CD1 3.75Å; I77-I99 HydrophobicContact CG1-CB 4.02Å; I77-I99 HydrophobicContact CG1-CD1 4.17Å; I77-I99 HydrophobicContact CG2-CB 4.46Å; I77-I99 HydrophobicContact CG2-CG2 4.45Å; S78-I99 PolarHBondContact N-O 2.97Å; I99-F103 HydrophobicContact CG2-CD2 4.2Å; I99-T107 HydrophobicContact CD1-CG2 4.43Å
100A94.2Very high94.8Very high42 Ų4239.9 Ų39.935%0.34725%0.249SC..EExtended strand (participates in β ladder)trans-100.5138.4179.400000110.3Q84 L88Q84-A100 HydrophobicContact CB-CB 4.17Å; Q84-A100 HydrophobicContact CG-CB 4.15Å; L88-A100 HydrophobicContact CD1-CB 4.46Å; L88-A100 HydrophobicContact CD2-CB 4.27Å; L88-A100 HydrophobicContact CG-CB 4.18Å
101G93.3Very high94.6Very high13 Ų1347.6 Ų47.613%0.13429%0.285CS..SBendtrans90.9-151.5177.300000113.1S78 S79 F103S78-G101 PolarHBondContact O-N 2.79Å; S79-G101 VanDerWaalsContact CA-O 3.31Å; S79-G101 WeakPolarHBondContact CA-O 3.39Å; G101-F103 PolarHBondContact O-N 3.45Å; G101-F103 VanDerWaalsContact O-N 3.12Å
102R93.4Very high94.6Very high203 Ų20354.6 Ų54.677%0.76632%0.32SS*.SBendtrans-63.2117.4-174.8-174.9177.7-175.6-80.20.9110.3
103F93.7Very high94.4Very high16 Ų1653.2 Ų53.27%0.0730%0.299CS..PPolyproline II helixtrans-68.6131.5172.2-175.1-100.6000110.2I77 I99 G101 P105 T107 F108 Q132 P133 E136I77-F103 HydrophobicContact CD1-CD2 3.84Å; I77-F103 HydrophobicContact CD1-CE2 3.66Å; I77-F103 HydrophobicContact CG2-CD2 4.34Å; I99-F103 HydrophobicContact CG2-CD2 4.2Å; G101-F103 PolarHBondContact O-N 3.45Å; G101-F103 VanDerWaalsContact O-N 3.12Å; F103-P105 WeakPolarHBondContact O-CD 3.47Å; F103-T107 HydrophobicContact CE2-CG2 4.19Å; F103-T107 HydrophobicContact CZ-CG2 4.39Å; F103-F108 HydrophobicContact CE2-CE2 4.19Å; F103-F108 HydrophobicContact CE2-CZ 4.11Å; F103-F108 HydrophobicContact CZ-CD2 4.13Å; F103-F108 HydrophobicContact CZ-CE2 4Å; F103-F108 HydrophobicContact CZ-CZ 4.31Å; F103-Q132 HydrophobicContact CD1-CB 4.17Å; F103-Q132 HydrophobicContact CD1-CG 3.64Å; F103-Q132 HydrophobicContact CE1-CG 3.99Å; F103-P133 HydrophobicContact CD1-CB 4.39Å; F103-P133 HydrophobicContact CD2-CB 4.11Å; F103-P133 HydrophobicContact CD2-CG 4.45Å; F103-P133 HydrophobicContact CE1-CB 4.13Å; F103-P133 HydrophobicContact CE2-CB 3.86Å; F103-P133 HydrophobicContact CG-CB 4.36Å; F103-P133 HydrophobicContact CG-CG 4.42Å; F103-P133 HydrophobicContact CZ-CB 3.85Å; F103-E136 WeakPolarHBondContact CE1-OE1 3.37Å
104T93.7Very high94.3Very high63 Ų6357.1 Ų57.139%0.38733%0.332SS..PPolyproline II helixtrans-83.5116.6176.3-60.90000108.7G106 T107T104-G106 PolarHBondContact O-N 3.47Å; T104-T107 WeakPolarHBondContact O-CB 3.39Å; T104-T107 PolarHBondContact O-N 2.95Å; T104-T107 PolarHBondContact O-OG1 3.27Å
105P94.3Very high94.1Very high60 Ų6059.2 Ų59.239%0.3935%0.349SS..THydrogen-bonded Turntrans-60.6135.7178.1-23.535.1000111.5F103 Q113 Q132 E136F103-P105 WeakPolarHBondContact O-CD 3.47Å; P105-Q113 PolarHBondContact O-NE2 3Å; P105-Q132 HydrophobicContact CG-CG 4.5Å; P105-E136 WeakPolarHBondContact CA-OE1 3.24Å
106G93.6Very high94Very high9 Ų960.1 Ų60.19%0.09334%0.342CS..THydrogen-bonded Turntrans89.26.6-175.600000114.6T104 F108 T109 N110 E136T104-G106 PolarHBondContact O-N 3.47Å; G106-F108 PolarHBondContact O-N 3.3Å; G106-T109 WeakPolarHBondContact CA-OG1 3.4Å; G106-T109 PolarHBondContact O-N 3.4Å; G106-N110 VanDerWaalsContact O-CB 3.29Å; G106-N110 WeakPolarHBondContact O-CB 3.43Å; G106-N110 PolarHBondContact O-N 3.49Å; G106-E136 WeakPolarHBondContact CA-OE2 3.39Å; G106-E136 VanDerWaalsContact N-CD 3.28Å; G106-E136 PolarHBondContact N-OE1 3.36Å; G106-E136 PolarHBondContact N-OE2 3.11Å; G106-E136 VanDerWaalsContact N-OE2 3.17Å
107T95Very high93.8Very high8 Ų864.5 Ų64.55%0.04936%0.356CS..THydrogen-bonded Turntrans-56.7-35.5178.3-64.60000111.8I99 F103 T104 A115 F116 R117 E136I99-T107 HydrophobicContact CD1-CG2 4.43Å; F103-T107 HydrophobicContact CE2-CG2 4.19Å; F103-T107 HydrophobicContact CZ-CG2 4.39Å; T104-T107 WeakPolarHBondContact O-CB 3.39Å; T104-T107 PolarHBondContact O-N 2.95Å; T104-T107 PolarHBondContact O-OG1 3.27Å; T107-A115 WeakPolarHBondContact CG2-O 3.33Å; T107-F116 WeakPolarHBondContact O-CA 3.47Å; T107-F116 WeakPolarHBondContact O-CD2 3.23Å; T107-R117 PolarHBondContact O-N 3.43Å; T107-R117 VanDerWaalsContact O-N 3.09Å; T107-E136 PolarHBondContact N-OE2 3.44Å
108F95.2Very high93.7Very high3 Ų369.3 Ų69.31%0.01338%0.377CS..THydrogen-bonded Turntrans-95.9-17.4179.5-57.5-33.3000113.9I77 F103 G106 R117 P119 L122 P133 E136 V140 I142I77-F108 HydrophobicContact CD1-CE2 4.32Å; I77-F108 HydrophobicContact CD1-CZ 3.74Å; F103-F108 HydrophobicContact CE2-CE2 4.19Å; F103-F108 HydrophobicContact CE2-CZ 4.11Å; F103-F108 HydrophobicContact CZ-CD2 4.13Å; F103-F108 HydrophobicContact CZ-CE2 4Å; F103-F108 HydrophobicContact CZ-CZ 4.31Å; G106-F108 PolarHBondContact O-N 3.3Å; F108-R117 WeakPolarHBondContact CD1-O 3.41Å; F108-P119 HydrophobicContact CD1-CG 4.05Å; F108-P119 HydrophobicContact CE1-CG 3.49Å; F108-P119 VanDerWaalsContact CE1-CG 3.49Å; F108-P119 HydrophobicContact CZ-CG 3.85Å; F108-L122 HydrophobicContact CE2-CD1 4.18Å; F108-L122 HydrophobicContact CE2-CD2 4.18Å; F108-L122 HydrophobicContact CZ-CD1 3.88Å; F108-P133 HydrophobicContact CE2-CB 4.05Å; F108-E136 HydrophobicContact CB-CB 4.22Å; F108-E136 HydrophobicContact CD2-CB 3.8Å; F108-E136 HydrophobicContact CG-CB 4.45Å; F108-E136 PolarHBondContact N-OE2 3.03Å; F108-V140 HydrophobicContact CB-CG2 4.48Å; F108-I142 HydrophobicContact CD2-CD1 4.42Å; F108-I142 HydrophobicContact CG-CD1 4.35Å
109T94.6Very high93.6Very high72 Ų7267.5 Ų67.544%0.44236%0.364SS..THydrogen-bonded Turntrans-112-23.4-171.2640000114.1G106 E136 Y139 V140G106-T109 WeakPolarHBondContact CA-OG1 3.4Å; G106-T109 PolarHBondContact O-N 3.4Å; T109-E136 HydrophobicContact CG2-CB 4.46Å; T109-E136 HydrophobicContact CG2-CG 4.35Å; T109-Y139 HydrophobicContact CG2-CD2 3.99Å; T109-Y139 HydrophobicContact CG2-CG 4.47Å; T109-V140 HydrophobicContact CG2-CG2 4.1Å
110N94.3Very high93.7Very high60 Ų6072.9 Ų72.932%0.32138%0.383SS..  trans-10595.2-172.5-172.6-3.6000112G106 I112 Q113 F116G106-N110 VanDerWaalsContact O-CB 3.29Å; G106-N110 WeakPolarHBondContact O-CB 3.43Å; G106-N110 PolarHBondContact O-N 3.49Å; N110-I112 PolarHBondContact O-N 2.91Å; N110-I112 PolarHBondContact OD1-N 2.97Å; N110-Q113 HydrophobicContact CB-CG 4.14Å; N110-Q113 PolarHBondContact O-N 3.29Å; N110-F116 WeakPolarHBondContact O-CD2 3.46Å
111Q93.2Very high93.8Very high161 Ų16171.2 Ų71.275%0.75237%0.368SS*.THydrogen-bonded Turntrans-62.1-12.1-18068-176.413.300115.6F116Q111-F116 HydrophobicContact CB-CE1 4.41Å; Q111-F116 HydrophobicContact CB-CE2 4.4Å; Q111-F116 HydrophobicContact CB-CZ 4.28Å
112I94.7Very high94Very high151 Ų15170.6 Ų70.677%0.77436%0.362SS*.THydrogen-bonded Turntrans-84.6-21.9179.6-58.3174.3000111.2N110N110-I112 PolarHBondContact O-N 2.91Å; N110-I112 PolarHBondContact OD1-N 2.97Å
113Q91.1Very high94.2Very high57 Ų5761 Ų6127%0.26633%0.326SS..SBendtrans-72.3139.6-177.5-70.2-177.4-3.800111.6P105 N110 A115 F116P105-Q113 PolarHBondContact O-NE2 3Å; N110-Q113 HydrophobicContact CB-CG 4.14Å; N110-Q113 PolarHBondContact O-N 3.29Å; Q113-A115 PolarHBondContact O-N 3.43Å; Q113-A115 VanDerWaalsContact O-N 3.16Å; Q113-F116 VanDerWaalsContact O-CB 3.22Å; Q113-F116 WeakPolarHBondContact O-CB 3.2Å; Q113-F116 PolarHBondContact O-N 3.42Å
114A92.9Very high94.3Very high118 Ų11860.2 Ų60.298%0.97532%0.322SS*.THydrogen-bonded Turntrans-61.9-23.4174.600000113.4F116A114-F116 VanDerWaalsContact C-N 3.34Å
115A91Very high94.4Very high49 Ų4957.4 Ų57.441%0.40531%0.306SS..THydrogen-bonded Turntrans-91.49178.100000113.4T107 Q113 R117T107-A115 WeakPolarHBondContact CG2-O 3.33Å; Q113-A115 PolarHBondContact O-N 3.43Å; Q113-A115 VanDerWaalsContact O-N 3.16Å; A115-R117 PolarHBondContact O-N 3Å
116F93.2Very high94.4Very high61 Ų6155.1 Ų55.127%0.26829%0.29SS..  trans-57.4131.3-179.8179.7-110.8000111.5T107 N110 Q111 Q113 A114 E118T107-F116 WeakPolarHBondContact O-CA 3.47Å; T107-F116 WeakPolarHBondContact O-CD2 3.23Å; N110-F116 WeakPolarHBondContact O-CD2 3.46Å; Q111-F116 HydrophobicContact CB-CE1 4.41Å; Q111-F116 HydrophobicContact CB-CE2 4.4Å; Q111-F116 HydrophobicContact CB-CZ 4.28Å; Q113-F116 VanDerWaalsContact O-CB 3.22Å; Q113-F116 WeakPolarHBondContact O-CB 3.2Å; Q113-F116 PolarHBondContact O-N 3.42Å; A114-F116 VanDerWaalsContact C-N 3.34Å; F116-E118 HydrophobicContact CE1-CG 3.58Å; F116-E118 HydrophobicContact CE2-CG 4.28Å; F116-E118 HydrophobicContact CZ-CG 3.43Å; F116-E118 VanDerWaalsContact CZ-CG 3.43Å; F116-E118 WeakPolarHBondContact CZ-OE1 3.37Å
117R91Very high94.5Very high100 Ų10054.9 Ų54.938%0.37729%0.287SS..  trans-142.2144.2179.3-68.3-178180-175.41.3110.2P98 T107 F108 A115 P119P98-R117 PolarHBondContact O-NH1 2.96Å; T107-R117 PolarHBondContact O-N 3.43Å; T107-R117 VanDerWaalsContact O-N 3.09Å; F108-R117 WeakPolarHBondContact CD1-O 3.41Å; A115-R117 PolarHBondContact O-N 3Å; R117-P119 VanDerWaalsContact C-CD 3.49Å; R117-P119 WeakPolarHBondContact O-CD 3.4Å
118E93.6Very high94.4Very high138 Ų13861.4 Ų61.465%0.64531%0.311SS*.  trans-121.375.2177.4-63.8-176.2147.100110.2F116F116-E118 HydrophobicContact CE1-CG 3.58Å; F116-E118 HydrophobicContact CE2-CG 4.28Å; F116-E118 HydrophobicContact CZ-CG 3.43Å; F116-E118 VanDerWaalsContact CZ-CG 3.43Å; F116-E118 WeakPolarHBondContact CZ-OE1 3.37Å
119P95.3Very high94.3Very high8 Ų863 Ų635%0.05233%0.325CS..  trans-71.8142.8177.927.8-29.8000111.1D73 S75 F108 R117 I142D73-P119 CarbonylContact O-C 3.59Å; D73-P119 WeakPolarHBondContact O-CA 3.49Å; D73-P119 VanDerWaalsContact O-CB 3.29Å; D73-P119 WeakPolarHBondContact O-CB 3.44Å; S75-P119 WeakPolarHBondContact OG-CB 3.45Å; F108-P119 HydrophobicContact CD1-CG 4.05Å; F108-P119 HydrophobicContact CE1-CG 3.49Å; F108-P119 VanDerWaalsContact CE1-CG 3.49Å; F108-P119 HydrophobicContact CZ-CG 3.85Å; R117-P119 VanDerWaalsContact C-CD 3.49Å; R117-P119 WeakPolarHBondContact O-CD 3.4Å; P119-I142 HydrophobicContact CG-CD1 4.08Å; P119-I142 WeakPolarHBondContact O-CD1 3.39Å; P119-I142 WeakPolarHBondContact O-CG1 3.38Å; P119-I142 WeakPolarHBondContact O-CG2 3.46Å
120R95.8Very high94.3Very high138 Ų13859.7 Ų59.752%0.52130%0.304SS..SBendtrans-81.7-18.3174-65.9-174.868178.71.1112.9I68 D73 P143I68-R120 HydrophobicContact CD1-CB 3.87Å; D73-R120 HydrophobicContact CB-CB 4.21Å; D73-R120 HydrophobicContact CB-CG 4.04Å; D73-R120 PolarHBondContact O-N 2.73Å; R120-P143 WeakPolarHBondContact O-CD 3.13Å; R120-P143 VanDerWaalsContact O-CG 3.26Å; R120-P143 WeakPolarHBondContact O-CG 3.3Å
121L96.8Very high94.3Very high7 Ų761.9 Ų61.94%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-148.3136.1176.8-170.9148.3000109.9A64 I65 I68 V74 S75 V123 I145A64-L121 HydrophobicContact CB-CD1 4.07Å; I65-L121 HydrophobicContact CG1-CD1 4.43Å; I65-L121 HydrophobicContact CG1-CD2 3.89Å; I68-L121 HydrophobicContact CD1-CB 4.24Å; I68-L121 HydrophobicContact CG1-CB 4.27Å; I68-L121 HydrophobicContact CG1-CD1 4.48Å; V74-L121 WeakPolarHBondContact CA-O 3.46Å; V74-L121 HydrophobicContact CG1-CD2 3.88Å; V74-L121 HydrophobicContact CG2-CB 4.37Å; S75-L121 PolarHBondContact N-O 3.45Å; L121-V123 HydrophobicContact CD2-CG2 3.48Å; L121-V123 VanDerWaalsContact CD2-CG2 3.48Å; L121-I145 HydrophobicContact CD1-CD1 4.22Å; L121-I145 HydrophobicContact CD2-CD1 3.96Å; L121-I145 HydrophobicContact CD2-CG1 4.24Å
122L97Very high94.4Very high0 Ų057.4 Ų57.40%029%0.291CS..EExtended strand (participates in β ladder)trans-111.5130.4179.5-177.666.5000110.7S75 I77 F108 V124 P133 A137 I142 P143 T144 I145S75-L122 WeakPolarHBondContact O-CA 3.35Å; I77-L122 HydrophobicContact CD1-CD1 3.52Å; I77-L122 HydrophobicContact CG1-CD1 3.61Å; F108-L122 HydrophobicContact CE2-CD1 4.18Å; F108-L122 HydrophobicContact CE2-CD2 4.18Å; F108-L122 HydrophobicContact CZ-CD1 3.88Å; L122-V124 HydrophobicContact CD1-CG2 4.38Å; L122-V124 HydrophobicContact CD2-CG2 3.79Å; L122-V124 HydrophobicContact CG-CG2 3.74Å; L122-P133 HydrophobicContact CD2-CB 4.25Å; L122-A137 HydrophobicContact CD2-CB 4.03Å; L122-I142 HydrophobicContact CB-CG2 3.98Å; L122-P143 PolarHBondContact N-O 3.07Å; L122-T144 HydrophobicContact CB-CG2 4.12Å; L122-T144 HydrophobicContact CD2-CG2 3.92Å; L122-T144 CarbonylContact O-C 3.49Å; L122-T144 WeakPolarHBondContact O-CA 3.41Å; L122-I145 PolarHBondContact O-N 2.82Å
123V97.3Very high94.5Very high1 Ų150.3 Ų50.31%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-118126.1171.5-164.20000110.2I65 V74 S75 V76 I77 L121 I145 W175I65-V123 HydrophobicContact CD1-CG2 4.05Å; I65-V123 HydrophobicContact CG1-CG2 4.41Å; V74-V123 HydrophobicContact CG1-CG2 4.19Å; S75-V123 PolarHBondContact O-N 2.74Å; V76-V123 WeakPolarHBondContact CA-O 3.22Å; I77-V123 PolarHBondContact N-O 3.31Å; L121-V123 HydrophobicContact CD2-CG2 3.48Å; L121-V123 VanDerWaalsContact CD2-CG2 3.48Å; V123-I145 CarbonylContact C-O 3.41Å; V123-I145 WeakPolarHBondContact CA-O 3.26Å; V123-I145 HydrophobicContact CG1-CB 4.25Å; V123-I145 HydrophobicContact CG1-CG2 4.35Å; V123-I145 HydrophobicContact CG2-CB 4.44Å; V123-W175 HydrophobicContact CB-CH2 3.87Å; V123-W175 HydrophobicContact CB-CZ3 4.34Å; V123-W175 HydrophobicContact CG1-CH2 3.35Å; V123-W175 HydrophobicContact CG1-CZ2 4.32Å; V123-W175 HydrophobicContact CG1-CZ3 3.81Å
124V96.3Very high94.7Very high0 Ų047.9 Ų47.90%024%0.243CC..EExtended strand (participates in β ladder)trans-122.4141.8-170.2-179.60000111.6L122 D130 L134 I145 A146 L147L122-V124 HydrophobicContact CD1-CG2 4.38Å; L122-V124 HydrophobicContact CD2-CG2 3.79Å; L122-V124 HydrophobicContact CG-CG2 3.74Å; V124-D130 HydrophobicContact CG1-CB 3.2Å; V124-D130 VanDerWaalsContact CG1-OD2 3.3Å; V124-D130 WeakPolarHBondContact CG1-OD2 3.42Å; V124-L134 HydrophobicContact CG2-CD2 3.93Å; V124-L134 HydrophobicContact CG2-CG 4.48Å; V124-I145 PolarHBondContact N-O 2.92Å; V124-A146 HydrophobicContact CB-CB 4.33Å; V124-A146 WeakPolarHBondContact O-CA 3.44Å; V124-L147 PolarHBondContact O-N 3.06Å
125T95.9Very high94.8Very high5 Ų544.2 Ų44.23%0.03121%0.209CC..SBendtrans-81.8-37.4-179.257.20000115.7I77 S78 V87 D130 L147 W175I77-T125 PolarHBondContact O-N 3.12Å; S78-T125 VanDerWaalsContact CB-CG2 3.47Å; S78-T125 WeakPolarHBondContact CB-OG1 3.3Å; S78-T125 PolarHBondContact OG-OG1 3.18Å; S78-T125 VanDerWaalsContact OG-OG1 3.13Å; V87-T125 HydrophobicContact CG2-CG2 4Å; T125-D130 PolarHBondContact N-OD2 2.82Å; T125-D130 PolarHBondContact OG1-OD2 2.92Å; T125-L147 WeakPolarHBondContact O-CB 3.43Å; T125-L147 VanDerWaalsContact O-O 3.09Å; T125-W175 HydrophobicContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-NE1 3.3Å
126D94.5Very high95Very high12 Ų1242.1 Ų42.16%0.06419%0.191CC..  trans-151.6111.4-180-177.30.9000109.2R80 R128 A129 D130 N165R80-D126 VanDerWaalsContact CD-OD2 3.29Å; R80-D126 WeakPolarHBondContact CD-OD2 3.04Å; R80-D126 IonicContact CZ-OD2 2.82Å; R80-D126 IonicContact NE-OD2 3.81Å; R80-D126 IonicContact NH1-OD2 3.88Å; R80-D126 PolarHBondContact NH1-OD2 3.14Å; D126-R128 PolarHBondContact O-N 3.05Å; D126-R128 PolarHBondContact OD1-N 3.17Å; D126-R128 VanDerWaalsContact OD1-N 3.14Å; D126-A129 HydrophobicContact CB-CB 4.27Å; D126-A129 PolarHBondContact O-N 2.8Å; D126-D130 PolarHBondContact N-OD2 2.78Å; D126-D130 VanDerWaalsContact O-CB 3.27Å; D126-D130 WeakPolarHBondContact O-CB 3.1Å; D126-D130 PolarHBondContact O-N 3.39Å; D126-N165 PolarHBondContact OD1-ND2 2.82Å
127P95Very high95.2Very high4 Ų439.3 Ų39.33%0.02618%0.179CC..THydrogen-bonded Turntrans-62.5-19.2-176.827-36.4000113.4H131 L134 L147 V157P127-H131 WeakPolarHBondContact O-CA 3.31Å; P127-H131 WeakPolarHBondContact O-CB 3.46Å; P127-H131 PolarHBondContact O-N 3.46Å; P127-L134 HydrophobicContact CB-CD1 3.53Å; P127-L147 WeakPolarHBondContact CD-O 3.39Å; P127-V157 HydrophobicContact CB-CG2 4.37Å
128R93.4Very high95.3Very high145 Ų14536.5 Ų36.555%0.54718%0.175SC..THydrogen-bonded Turntrans-75.6-46.8175.9-64.5-169.970.8-155.7-2.5111.9D126 H131 D151 P153D126-R128 PolarHBondContact O-N 3.05Å; D126-R128 PolarHBondContact OD1-N 3.17Å; D126-R128 VanDerWaalsContact OD1-N 3.14Å; R128-H131 PolarHBondContact O-ND1 3.22Å; R128-D151 IonicContact NH1-OD2 3.53Å; R128-P153 VanDerWaalsContact CG-CD 3.47Å; R128-P153 HydrophobicContact CG-CG 4.26Å
129A93.4Very high95.4Very high37 Ų3737.6 Ų37.631%0.30617%0.174SC..THydrogen-bonded Turntrans-75.6-41.4179.100000111.3R80 D126 H131R80-A129 HydrophobicContact CG-CB 3.44Å; R80-A129 VanDerWaalsContact CG-CB 3.44Å; D126-A129 HydrophobicContact CB-CB 4.27Å; D126-A129 PolarHBondContact O-N 2.8Å; A129-H131 VanDerWaalsContact C-N 3.33Å; A129-H131 PolarHBondContact O-N 3.01Å
130D94.5Very high95.4Very high2 Ų240 Ų401%0.01119%0.188CC..THydrogen-bonded Turntrans-95.835.1-176.3-55.8-37.9000112S79 V124 T125 D126 Q132 P133 L134S79-D130 WeakPolarHBondContact CA-OD1 3.48Å; S79-D130 WeakPolarHBondContact CB-OD1 3.31Å; S79-D130 PolarHBondContact N-OD1 2.52Å; S79-D130 PolarHBondContact OG-OD1 2.78Å; V124-D130 HydrophobicContact CG1-CB 3.2Å; V124-D130 VanDerWaalsContact CG1-OD2 3.3Å; V124-D130 WeakPolarHBondContact CG1-OD2 3.42Å; T125-D130 PolarHBondContact N-OD2 2.82Å; T125-D130 PolarHBondContact OG1-OD2 2.92Å; D126-D130 PolarHBondContact N-OD2 2.78Å; D126-D130 VanDerWaalsContact O-CB 3.27Å; D126-D130 WeakPolarHBondContact O-CB 3.1Å; D126-D130 PolarHBondContact O-N 3.39Å; D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.35Å; D130-P133 HydrophobicContact CB-CG 4.03Å; D130-P133 WeakPolarHBondContact O-CD 3.48Å; D130-P133 WeakPolarHBondContact O-CG 3.42Å; D130-L134 WeakPolarHBondContact O-CG 3.34Å
131H94.3Very high95.3Very high106 Ų10640.3 Ų40.349%0.49120%0.201SC..Hα-helixtrans-67.8-26.9-179.463.4-84.6000113.1P127 R128 A129 L134 T135P127-H131 WeakPolarHBondContact O-CA 3.31Å; P127-H131 WeakPolarHBondContact O-CB 3.46Å; P127-H131 PolarHBondContact O-N 3.46Å; R128-H131 PolarHBondContact O-ND1 3.22Å; A129-H131 VanDerWaalsContact C-N 3.33Å; A129-H131 PolarHBondContact O-N 3.01Å; H131-L134 PolarHBondContact O-N 3.09Å; H131-T135 PolarHBondContact O-N 3.13Å; H131-T135 PolarHBondContact O-OG1 3.46Å
132Q95.3Very high95.2Very high67 Ų6740.7 Ų40.731%0.31320%0.202SC..Hα-helixtrans-62.3-55.3179.1-175.364.13500112.4F103 P105 D130 L134 T135 E136F103-Q132 HydrophobicContact CD1-CB 4.17Å; F103-Q132 HydrophobicContact CD1-CG 3.64Å; F103-Q132 HydrophobicContact CE1-CG 3.99Å; P105-Q132 HydrophobicContact CG-CG 4.5Å; D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.35Å; Q132-L134 VanDerWaalsContact C-N 3.27Å; Q132-L134 PolarHBondContact O-N 3.07Å; Q132-T135 PolarHBondContact O-N 2.96Å; Q132-T135 VanDerWaalsContact O-N 3.16Å; Q132-E136 PolarHBondContact NE2-OE1 2.94Å; Q132-E136 PolarHBondContact O-N 3.14Å
133P95.9Very high95.2Very high1 Ų143.5 Ų43.51%0.00622%0.221CC..Hα-helixtrans-63.7-29.7176.724.8-35.6000113.2I77 F103 F108 L122 D130 E136 A137I77-P133 HydrophobicContact CD1-CB 3.84Å; I77-P133 HydrophobicContact CD1-CG 4.38Å; I77-P133 HydrophobicContact CG2-CG 4.21Å; F103-P133 HydrophobicContact CD1-CB 4.39Å; F103-P133 HydrophobicContact CD2-CB 4.11Å; F103-P133 HydrophobicContact CD2-CG 4.45Å; F103-P133 HydrophobicContact CE1-CB 4.13Å; F103-P133 HydrophobicContact CE2-CB 3.86Å; F103-P133 HydrophobicContact CG-CB 4.36Å; F103-P133 HydrophobicContact CG-CG 4.42Å; F103-P133 HydrophobicContact CZ-CB 3.85Å; F108-P133 HydrophobicContact CE2-CB 4.05Å; L122-P133 HydrophobicContact CD2-CB 4.25Å; D130-P133 HydrophobicContact CB-CG 4.03Å; D130-P133 WeakPolarHBondContact O-CD 3.48Å; D130-P133 WeakPolarHBondContact O-CG 3.42Å; P133-E136 PolarHBondContact O-N 3.44Å; P133-A137 WeakPolarHBondContact O-CB 3.5Å; P133-A137 PolarHBondContact O-N 2.88Å
134L96Very high95.2Very high6 Ų643.6 Ų43.63%0.03122%0.221CC..Hα-helixtrans-65.3-39.3173.7-68.1176.9000112.3V124 P127 D130 H131 Q132 S138 T144 V157V124-L134 HydrophobicContact CG2-CD2 3.93Å; V124-L134 HydrophobicContact CG2-CG 4.48Å; P127-L134 HydrophobicContact CB-CD1 3.53Å; D130-L134 WeakPolarHBondContact O-CG 3.34Å; H131-L134 PolarHBondContact O-N 3.09Å; Q132-L134 VanDerWaalsContact C-N 3.27Å; Q132-L134 PolarHBondContact O-N 3.07Å; L134-S138 PolarHBondContact O-N 3.17Å; L134-T144 HydrophobicContact CD2-CG2 4.07Å; L134-V157 HydrophobicContact CD1-CG2 4.22Å; L134-V157 HydrophobicContact CD2-CG2 4.39Å
135T95.6Very high95.3Very high42 Ų4243.8 Ų43.826%0.25822%0.222SC..Hα-helixtrans-66.5-42.1174.8-54.60000110.2H131 Q132 S138 Y139H131-T135 PolarHBondContact O-N 3.13Å; H131-T135 PolarHBondContact O-OG1 3.46Å; Q132-T135 PolarHBondContact O-N 2.96Å; Q132-T135 VanDerWaalsContact O-N 3.16Å; T135-S138 WeakPolarHBondContact O-CB 3.39Å; T135-S138 PolarHBondContact O-N 2.96Å; T135-S138 PolarHBondContact O-OG 2.92Å; T135-Y139 HydrophobicContact CG2-CE2 3.97Å; T135-Y139 WeakPolarHBondContact O-CD2 3.38Å
136E95.7Very high95.4Very high5 Ų543.5 Ų43.52%0.02322%0.221CC..Hα-helixtrans-67.7-36178-74-177.3-145.900113.6F103 P105 G106 T107 F108 T109 Q132 P133 S138 Y139F103-E136 WeakPolarHBondContact CE1-OE1 3.37Å; P105-E136 WeakPolarHBondContact CA-OE1 3.24Å; G106-E136 WeakPolarHBondContact CA-OE2 3.39Å; G106-E136 VanDerWaalsContact N-CD 3.28Å; G106-E136 PolarHBondContact N-OE1 3.36Å; G106-E136 PolarHBondContact N-OE2 3.11Å; G106-E136 VanDerWaalsContact N-OE2 3.17Å; T107-E136 PolarHBondContact N-OE2 3.44Å; F108-E136 HydrophobicContact CB-CB 4.22Å; F108-E136 HydrophobicContact CD2-CB 3.8Å; F108-E136 HydrophobicContact CG-CB 4.45Å; F108-E136 PolarHBondContact N-OE2 3.03Å; T109-E136 HydrophobicContact CG2-CB 4.46Å; T109-E136 HydrophobicContact CG2-CG 4.35Å; Q132-E136 PolarHBondContact NE2-OE1 2.94Å; Q132-E136 PolarHBondContact O-N 3.14Å; P133-E136 PolarHBondContact O-N 3.44Å; E136-S138 PolarHBondContact O-N 3.06Å; E136-Y139 HydrophobicContact CG-CD2 4.48Å; E136-Y139 PolarHBondContact O-N 3.42Å
137A95.9Very high95.5Very high2 Ų243.1 Ų43.12%0.01722%0.218CC..Hα-helixtrans-58-34.317300000112.3L122 P133 Y139 V140 N141 I142 T144L122-A137 HydrophobicContact CD2-CB 4.03Å; P133-A137 WeakPolarHBondContact O-CB 3.5Å; P133-A137 PolarHBondContact O-N 2.88Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 3.2Å; A137-V140 PolarHBondContact O-N 3.29Å; A137-N141 PolarHBondContact O-N 3.46Å; A137-I142 HydrophobicContact CB-CB 4.1Å; A137-I142 PolarHBondContact O-N 3.4Å; A137-I142 VanDerWaalsContact O-N 3.09Å; A137-T144 HydrophobicContact CB-CG2 3.52Å
138S94.6Very high95.6Very high41 Ų4143 Ų4329%0.28722%0.217SC..Hα-helixtrans-68.1-24.9177.780.20000113.6L134 T135 E136L134-S138 PolarHBondContact O-N 3.17Å; T135-S138 WeakPolarHBondContact O-CB 3.39Å; T135-S138 PolarHBondContact O-N 2.96Å; T135-S138 PolarHBondContact O-OG 2.92Å; E136-S138 PolarHBondContact O-N 3.06Å
139Y95.7Very high95.7Very high161 Ų16136 Ų3663%0.63119%0.191SC*.Hα-helixtrans-77.8-28.6176.3-61.5-52.9000112.7T109 T135 E136 A137T109-Y139 HydrophobicContact CG2-CD2 3.99Å; T109-Y139 HydrophobicContact CG2-CG 4.47Å; T135-Y139 HydrophobicContact CG2-CE2 3.97Å; T135-Y139 WeakPolarHBondContact O-CD2 3.38Å; E136-Y139 HydrophobicContact CG-CD2 4.48Å; E136-Y139 PolarHBondContact O-N 3.42Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 3.2Å
140V94.2Very high95.8Very high57 Ų5734.3 Ų34.335%0.34518%0.177SC..Hα-helixtrans-111.65.6-171.5-1680000112.4F108 T109 A137 I142F108-V140 HydrophobicContact CB-CG2 4.48Å; T109-V140 HydrophobicContact CG2-CG2 4.1Å; A137-V140 PolarHBondContact O-N 3.29Å; V140-I142 HydrophobicContact CB-CD1 4.06Å; V140-I142 HydrophobicContact CB-CG1 4.13Å; V140-I142 HydrophobicContact CG1-CD1 4.22Å; V140-I142 HydrophobicContact CG1-CG1 4.26Å; V140-I142 PolarHBondContact O-N 3.33Å
141N94.3Very high95.8Very high146 Ų14635.8 Ų35.878%0.78119%0.185SC*.THydrogen-bonded Turntrans59.340.1179.9-52.1-57.1000113.9A137A137-N141 PolarHBondContact O-N 3.46Å
142I95.4Very high95.7Very high15 Ų1530.7 Ų30.78%0.07716%0.161CC..  trans-88.8123.4179.1-58168.7000108.8F108 P119 L122 A137 V140 T144F108-I142 HydrophobicContact CD2-CD1 4.42Å; F108-I142 HydrophobicContact CG-CD1 4.35Å; P119-I142 HydrophobicContact CG-CD1 4.08Å; P119-I142 WeakPolarHBondContact O-CD1 3.39Å; P119-I142 WeakPolarHBondContact O-CG1 3.38Å; P119-I142 WeakPolarHBondContact O-CG2 3.46Å; L122-I142 HydrophobicContact CB-CG2 3.98Å; A137-I142 HydrophobicContact CB-CB 4.1Å; A137-I142 PolarHBondContact O-N 3.4Å; A137-I142 VanDerWaalsContact O-N 3.09Å; V140-I142 HydrophobicContact CB-CD1 4.06Å; V140-I142 HydrophobicContact CB-CG1 4.13Å; V140-I142 HydrophobicContact CG1-CD1 4.22Å; V140-I142 HydrophobicContact CG1-CG1 4.26Å; V140-I142 PolarHBondContact O-N 3.33Å; I142-T144 WeakPolarHBondContact O-CG2 3.33Å
143P97Very high95.6Very high59 Ų5929.8 Ų29.838%0.38316%0.161SC..  trans-66.7136.5175.827.3-34.4000111R120 L122 D158R120-P143 WeakPolarHBondContact O-CD 3.13Å; R120-P143 VanDerWaalsContact O-CG 3.26Å; R120-P143 WeakPolarHBondContact O-CG 3.3Å; L122-P143 PolarHBondContact N-O 3.07Å; P143-D158 WeakPolarHBondContact CA-OD2 3.5Å
144T97.3Very high95.5Very high3 Ų330.9 Ų30.92%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-121136.1-173.682.40000113.3L122 L134 A137 I142 Y156 V157 D158 I159L122-T144 HydrophobicContact CB-CG2 4.12Å; L122-T144 HydrophobicContact CD2-CG2 3.92Å; L122-T144 CarbonylContact O-C 3.49Å; L122-T144 WeakPolarHBondContact O-CA 3.41Å; L134-T144 HydrophobicContact CD2-CG2 4.07Å; A137-T144 HydrophobicContact CB-CG2 3.52Å; I142-T144 WeakPolarHBondContact O-CG2 3.33Å; T144-Y156 PolarHBondContact OG1-O 3.14Å; T144-V157 WeakPolarHBondContact OG1-CA 3.39Å; T144-D158 PolarHBondContact N-OD2 3.48Å; T144-D158 WeakPolarHBondContact O-CB 3.3Å; T144-D158 PolarHBondContact O-N 3.19Å; T144-I159 PolarHBondContact O-N 3.13Å; T144-I159 VanDerWaalsContact O-N 3.17Å
145I97.6Very high95.4Very high3 Ų340.1 Ų40.12%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-113.6131.6173.4-52.1-172.9000107.3A61 A64 I65 L121 L122 V123 V124 I159 I161A61-I145 HydrophobicContact CB-CD1 3.81Å; A61-I145 HydrophobicContact CB-CG2 3.78Å; A64-I145 HydrophobicContact CB-CD1 4.13Å; I65-I145 HydrophobicContact CD1-CD1 4.44Å; I65-I145 HydrophobicContact CG1-CD1 4.38Å; L121-I145 HydrophobicContact CD1-CD1 4.22Å; L121-I145 HydrophobicContact CD2-CD1 3.96Å; L121-I145 HydrophobicContact CD2-CG1 4.24Å; L122-I145 PolarHBondContact O-N 2.82Å; V123-I145 CarbonylContact C-O 3.41Å; V123-I145 WeakPolarHBondContact CA-O 3.26Å; V123-I145 HydrophobicContact CG1-CB 4.25Å; V123-I145 HydrophobicContact CG1-CG2 4.35Å; V123-I145 HydrophobicContact CG2-CB 4.44Å; V124-I145 PolarHBondContact N-O 2.92Å; I145-I159 WeakPolarHBondContact CA-O 3.17Å; I145-I159 HydrophobicContact CB-CB 4.42Å; I145-I159 HydrophobicContact CD1-CD1 4.14Å; I145-I159 HydrophobicContact CG1-CB 4.1Å; I145-I159 HydrophobicContact CG1-CD1 4.25Å; I145-I159 HydrophobicContact CG2-CB 4.15Å; I145-I159 HydrophobicContact CG2-CG2 4.18Å; I145-I161 HydrophobicContact CG2-CD1 3.91Å; I145-I161 HydrophobicContact CG2-CG1 4.3Å
146A97.3Very high95.4Very high0 Ų044.9 Ų44.90%022%0.215CC..EExtended strand (participates in β ladder)trans-131.6142.5178.800000112.5V124 C148 V157 I159 I161V124-A146 HydrophobicContact CB-CB 4.33Å; V124-A146 WeakPolarHBondContact O-CA 3.44Å; A146-C148 PolarHBondContact O-N 2.72Å; A146-V157 HydrophobicContact CB-CB 4.5Å; A146-V157 HydrophobicContact CB-CG1 3.75Å; A146-V157 HydrophobicContact CB-CG2 3.86Å; A146-I159 PolarHBondContact N-O 3.19Å; A146-I161 PolarHBondContact O-N 3.03Å
147L97Very high95.4Very high4 Ų445.5 Ų45.52%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-78.3109.3164.6-62.4-175.9000108.5V124 T125 P127 I161 N165 M174V124-L147 PolarHBondContact O-N 3.06Å; T125-L147 WeakPolarHBondContact O-CB 3.43Å; T125-L147 VanDerWaalsContact O-O 3.09Å; P127-L147 WeakPolarHBondContact CD-O 3.39Å; L147-I161 HydrophobicContact CD2-CB 3.84Å; L147-I161 HydrophobicContact CD2-CD1 3.88Å; L147-I161 HydrophobicContact CD2-CG1 4.43Å; L147-I161 HydrophobicContact CD2-CG2 3.94Å; L147-N165 PolarHBondContact O-ND2 3.42Å; L147-M174 HydrophobicContact CD1-CB 4.05Å; L147-M174 HydrophobicContact CD2-CB 4.25Å; L147-M174 HydrophobicContact CD2-CE 4.16Å
148C96.5Very high95.4Very high0 Ų050.5 Ų50.50%025%0.246CC..EExtended strand (participates in β ladder)trans-112.5130.9-171.4-59.90000110.9M34 A146 L154 A160 I161 P162 C163M34-C148 HydrophobicContact CE-CB 3.97Å; M34-C148 HydrophobicContact SD-CB 4.08Å; A146-C148 PolarHBondContact O-N 2.72Å; C148-L154 HydrophobicContact CB-CD2 3.97Å; C148-L154 WeakPolarHBondContact SG-CD2 3.39Å; C148-A160 HydrophobicContact CB-CB 4.36Å; C148-I161 PolarHBondContact N-O 2.74Å; C148-P162 CarbonylContact O-C 3.54Å; C148-P162 WeakPolarHBondContact O-CA 3.36Å; C148-C163 PolarHBondContact O-N 3.38Å
149N95.9Very high95.5Very high0 Ų049.8 Ų49.80%024%0.238CC..  trans-90.4176.4168.2-154.1-21.1000110.1G26 G27 M34 D151 S152 C163 N165G26-N149 WeakPolarHBondContact CA-OD1 3.06Å; G27-N149 PolarHBondContact N-OD1 2.93Å; M34-N149 WeakPolarHBondContact CE-O 3.45Å; N149-D151 PolarHBondContact O-N 3.37Å; N149-S152 PolarHBondContact N-OG 2.91Å; N149-S152 VanDerWaalsContact O-CB 3.31Å; N149-S152 WeakPolarHBondContact O-CB 3.29Å; N149-S152 PolarHBondContact O-N 3.49Å; N149-S152 VanDerWaalsContact O-N 3.09Å; N149-C163 WeakPolarHBondContact CA-O 3.37Å; N149-N165 VanDerWaalsContact CB-OD1 3.3Å; N149-N165 WeakPolarHBondContact CB-OD1 3.22Å; N149-N165 PolarHBondContact ND2-OD1 2.86Å
150T95.6Very high95.6Very high0 Ų042.3 Ų42.30%021%0.21CC..THydrogen-bonded Turntrans-63.6-27.4-17665.70000112.9G27 N29 L30 D31 I38 I49G27-T150 VanDerWaalsContact CA-OG1 3.31Å; G27-T150 WeakPolarHBondContact CA-OG1 3.48Å; G27-T150 PolarHBondContact N-OG1 2.91Å; N29-T150 CarbonylContact O-C 3.6Å; N29-T150 WeakPolarHBondContact O-CB 3.42Å; N29-T150 PolarHBondContact O-OG1 3.36Å; L30-T150 CarbonylContact C-O 3.47Å; L30-T150 WeakPolarHBondContact CA-O 3.35Å; D31-T150 PolarHBondContact N-O 3.42Å; I38-T150 HydrophobicContact CD1-CG2 3.47Å; I38-T150 VanDerWaalsContact CD1-CG2 3.47Å; I49-T150 HydrophobicContact CD1-CG2 4.08Å; I49-T150 HydrophobicContact CG1-CG2 3.89Å
151D93.7Very high95.7Very high33 Ų3339.6 Ų39.618%0.17619%0.194CC..THydrogen-bonded Turntrans-97.17.1177.861.9-33.7000113.8N29 R128 N149 K166N29-D151 HydrophobicContact CB-CB 4.23Å; R128-D151 IonicContact NH1-OD2 3.53Å; N149-D151 PolarHBondContact O-N 3.37Å; D151-K166 IonicContact OD1-NZ 3.4Å; D151-K166 PolarHBondContact OD1-NZ 3.27Å; D151-K166 IonicContact OD2-NZ 2.74Å; D151-K166 PolarHBondContact OD2-NZ 3.31Å
152S92.7Very high95.9Very high0 Ų032.7 Ų32.70%016%0.157CC..  trans-81.5130.4-179.4-69.40000111.7N149N149-S152 PolarHBondContact N-OG 2.91Å; N149-S152 VanDerWaalsContact O-CB 3.31Å; N149-S152 WeakPolarHBondContact O-CB 3.29Å; N149-S152 PolarHBondContact O-N 3.49Å; N149-S152 VanDerWaalsContact O-N 3.09Å
153P93.5Very high95.9Very high47 Ų4732 Ų3231%0.30515%0.153SC..  trans-70.7136172.630.2-33000110.2R128 R155R128-P153 VanDerWaalsContact CG-CD 3.47Å; R128-P153 HydrophobicContact CG-CG 4.26Å; P153-R155 VanDerWaalsContact C-N 3.3Å; P153-R155 PolarHBondContact O-N 3.16Å
154L94.2Very high95.9Very high25 Ų2530.4 Ų30.413%0.13114%0.142CC..  trans-93.924.9175.7-57.7-174.9000113.4Q33 M34 C148 Y156 V157 A160Q33-L154 HydrophobicContact CB-CD1 3.74Å; Q33-L154 HydrophobicContact CB-CG 4.33Å; M34-L154 HydrophobicContact CG-CD1 4.33Å; M34-L154 HydrophobicContact CG-CG 4.32Å; M34-L154 HydrophobicContact SD-CD1 3.76Å; M34-L154 HydrophobicContact SD-CD2 3.76Å; M34-L154 HydrophobicContact SD-CG 3.97Å; C148-L154 HydrophobicContact CB-CD2 3.97Å; C148-L154 WeakPolarHBondContact SG-CD2 3.39Å; L154-Y156 PolarHBondContact O-N 2.76Å; L154-V157 PolarHBondContact O-N 3.09Å; L154-A160 HydrophobicContact CD1-CB 4.18Å; L154-A160 HydrophobicContact CD2-CB 3.59Å
155R94.4Very high95.7Very high199 Ų19930.4 Ų30.475%0.75114%0.141SC*.THydrogen-bonded Turntrans-69.6129.1175.7-63.9-178-179.1-179-0.5109.6P153 V157P153-R155 VanDerWaalsContact C-N 3.3Å; P153-R155 PolarHBondContact O-N 3.16Å; R155-V157 PolarHBondContact O-N 3.24Å
156Y94.8Very high95.3Very high142 Ų14234.9 Ų34.956%0.55716%0.161SC*.THydrogen-bonded Turntrans61.415.1-177.9-47.7-64000115.6T144 L154T144-Y156 PolarHBondContact OG1-O 3.14Å; L154-Y156 PolarHBondContact O-N 2.76Å
157V96Very high95.1Very high19 Ų1936.1 Ų36.112%0.11517%0.174CC..  trans-102119.1176.4177.50000109.8P127 L134 T144 A146 L154 R155 A160P127-V157 HydrophobicContact CB-CG2 4.37Å; L134-V157 HydrophobicContact CD1-CG2 4.22Å; L134-V157 HydrophobicContact CD2-CG2 4.39Å; T144-V157 WeakPolarHBondContact OG1-CA 3.39Å; A146-V157 HydrophobicContact CB-CB 4.5Å; A146-V157 HydrophobicContact CB-CG1 3.75Å; A146-V157 HydrophobicContact CB-CG2 3.86Å; L154-V157 PolarHBondContact O-N 3.09Å; R155-V157 PolarHBondContact O-N 3.24Å; V157-A160 HydrophobicContact CG1-CB 4.32Å
158D96.4Very high94.8Very high107 Ų10737.2 Ų37.257%0.57218%0.183SC*.SBendtrans-83.7-44179.6-57.3-55000111.6P143 T144P143-D158 WeakPolarHBondContact CA-OD2 3.5Å; T144-D158 PolarHBondContact N-OD2 3.48Å; T144-D158 WeakPolarHBondContact O-CB 3.3Å; T144-D158 PolarHBondContact O-N 3.19Å
159I96.8Very high94.7Very high25 Ų2542.3 Ų42.313%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-119.8104.3177.4-57.4175.7000109.8L60 A61 A64 T144 I145 A146L60-I159 HydrophobicContact CD2-CD1 3.86Å; L60-I159 HydrophobicContact CD2-CG1 3.94Å; L60-I159 HydrophobicContact CD2-CG2 3.92Å; L60-I159 HydrophobicContact CG-CD1 4.15Å; A61-I159 HydrophobicContact CB-CG2 4.26Å; A64-I159 HydrophobicContact CB-CD1 4.1Å; T144-I159 PolarHBondContact O-N 3.13Å; T144-I159 VanDerWaalsContact O-N 3.17Å; I145-I159 WeakPolarHBondContact CA-O 3.17Å; I145-I159 HydrophobicContact CB-CB 4.42Å; I145-I159 HydrophobicContact CD1-CD1 4.14Å; I145-I159 HydrophobicContact CG1-CB 4.1Å; I145-I159 HydrophobicContact CG1-CD1 4.25Å; I145-I159 HydrophobicContact CG2-CB 4.15Å; I145-I159 HydrophobicContact CG2-CG2 4.18Å; A146-I159 PolarHBondContact N-O 3.19Å
160A96.8Very high94.7Very high5 Ų542.3 Ų42.34%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-84.7123169.700000111Y37 K57 C148 L154 V157Y37-A160 HydrophobicContact CE2-CB 4.21Å; K57-A160 WeakPolarHBondContact CD-O 3.41Å; K57-A160 WeakPolarHBondContact CG-O 3.31Å; C148-A160 HydrophobicContact CB-CB 4.36Å; L154-A160 HydrophobicContact CD1-CB 4.18Å; L154-A160 HydrophobicContact CD2-CB 3.59Å; V157-A160 HydrophobicContact CG1-CB 4.32Å
161I97.2Very high94.7Very high0 Ų042.4 Ų42.40%021%0.207CC..EExtended strand (participates in β ladder)trans-99.9109.8169.1-57.8172.8000107.7T54 K57 L58 A61 I145 A146 L147 C148 C163 M174 L178T54-I161 HydrophobicContact CG2-CG2 4.41Å; K57-I161 HydrophobicContact CB-CG1 4.45Å; L58-I161 HydrophobicContact CD1-CD1 4.23Å; A61-I161 HydrophobicContact CB-CD1 3.68Å; A61-I161 HydrophobicContact CB-CG1 4.3Å; I145-I161 HydrophobicContact CG2-CD1 3.91Å; I145-I161 HydrophobicContact CG2-CG1 4.3Å; A146-I161 PolarHBondContact O-N 3.03Å; L147-I161 HydrophobicContact CD2-CB 3.84Å; L147-I161 HydrophobicContact CD2-CD1 3.88Å; L147-I161 HydrophobicContact CD2-CG1 4.43Å; L147-I161 HydrophobicContact CD2-CG2 3.94Å; C148-I161 PolarHBondContact N-O 2.74Å; I161-C163 PolarHBondContact O-N 3.4Å; I161-M174 HydrophobicContact CG2-CE 3.31Å; I161-L178 HydrophobicContact CD1-CD1 4.06Å
162P96.8Very high94.8Very high0 Ų040.9 Ų40.90%020%0.199CC..EExtended strand (participates in β ladder)trans-76113.2-176.431-35.5000110.7M34 Y37 I49 T54 C148M34-P162 HydrophobicContact CE-CB 3.93Å; Y37-P162 HydrophobicContact CD1-CB 4.32Å; Y37-P162 HydrophobicContact CD1-CG 3.76Å; Y37-P162 HydrophobicContact CD2-CB 4.22Å; Y37-P162 HydrophobicContact CD2-CG 4.47Å; Y37-P162 HydrophobicContact CE1-CG 4.43Å; Y37-P162 HydrophobicContact CG-CB 3.81Å; Y37-P162 HydrophobicContact CG-CG 3.78Å; I49-P162 HydrophobicContact CG2-CB 3.79Å; I49-P162 HydrophobicContact CG2-CG 4.32Å; T54-P162 WeakPolarHBondContact CB-O 3.31Å; T54-P162 WeakPolarHBondContact CG2-O 3.26Å; T54-P162 PolarHBondContact OG1-O 3.18Å; C148-P162 CarbonylContact O-C 3.54Å; C148-P162 WeakPolarHBondContact O-CA 3.36Å
163C96.5Very high95Very high1 Ų141.1 Ų41.11%0.00720%0.2CC..SBendtrans-155.6165.6-179.960.90000112.3T23 C148 N149 I161 N165 M174T23-C163 HydrophobicContact CG2-CB 3.86Å; C148-C163 PolarHBondContact O-N 3.38Å; N149-C163 WeakPolarHBondContact CA-O 3.37Å; I161-C163 PolarHBondContact O-N 3.4Å; C163-N165 PolarHBondContact O-N 3.44Å; C163-M174 HydrophobicContact CB-CE 4.02Å; C163-M174 HydrophobicContact CB-CG 3.85Å; C163-M174 HydrophobicContact CB-SD 3.87Å
164N96Very high95.2Very high26 Ų2638.9 Ų38.914%0.13919%0.186CC..  trans-75.291.5170.8-173.6-1.9000111.7G22 T23 L25 K166 S170G22-N164 PolarHBondContact O-ND2 2.74Å; T23-N164 PolarHBondContact O-N 3.31Å; L25-N164 WeakPolarHBondContact O-CB 3.21Å; L25-N164 VanDerWaalsContact O-CG 3.26Å; L25-N164 PolarHBondContact O-ND2 2.86Å; N164-K166 PolarHBondContact O-N 3.12Å; N164-K166 PolarHBondContact OD1-N 3.1Å; N164-K166 VanDerWaalsContact OD1-N 3.09Å; N164-S170 VanDerWaalsContact O-CB 3.26Å; N164-S170 WeakPolarHBondContact O-CB 3.37Å; N164-S170 PolarHBondContact O-OG 3.04Å
165N93.1Very high95.3Very high2 Ų237.8 Ų37.81%0.01118%0.18CC..  trans-80.79.5178.174.3-2.2000114.4R80 D126 L147 N149 C163 V171R80-N165 PolarHBondContact NH1-O 3.47Å; R80-N165 PolarHBondContact NH2-O 3.29Å; D126-N165 PolarHBondContact OD1-ND2 2.82Å; L147-N165 PolarHBondContact O-ND2 3.42Å; N149-N165 VanDerWaalsContact CB-OD1 3.3Å; N149-N165 WeakPolarHBondContact CB-OD1 3.22Å; N149-N165 PolarHBondContact ND2-OD1 2.86Å; C163-N165 PolarHBondContact O-N 3.44Å; N165-V171 HydrophobicContact CB-CG2 4.44Å; N165-V171 WeakPolarHBondContact O-CG2 3.46Å
166K90.8Very high95.4Very high98 Ų9828.9 Ų28.943%0.42615%0.146SC..SBendtrans-97-36.3178.6-68.2176.1-176.9164.50112.6D151 N164D151-K166 IonicContact OD1-NZ 3.4Å; D151-K166 PolarHBondContact OD1-NZ 3.27Å; D151-K166 IonicContact OD2-NZ 2.74Å; D151-K166 PolarHBondContact OD2-NZ 3.31Å; N164-K166 PolarHBondContact O-N 3.12Å; N164-K166 PolarHBondContact OD1-N 3.1Å; N164-K166 VanDerWaalsContact OD1-N 3.09Å
167G91.5Very high95.5Very high26 Ų2622.1 Ų22.127%0.26812%0.12SC..SBendtrans-79.3132.6179.100000112.9H169 S170 V171G167-H169 PolarHBondContact O-N 3.25Å; G167-S170 PolarHBondContact O-N 2.9Å; G167-V171 WeakPolarHBondContact O-CG2 3.44Å; G167-V171 PolarHBondContact O-N 3.45Å
168A92Very high95.5Very high26 Ų2621.3 Ų21.322%0.21512%0.115CC..Hα-helixtrans-58.5-44.3179.300000112.6V171 G172A168-V171 PolarHBondContact O-N 3.01Å; A168-G172 PolarHBondContact O-N 3.3Å; A168-G172 VanDerWaalsContact O-N 3.07Å
169H94.5Very high95.5Very high107 Ų10716.2 Ų16.250%0.4959%0.088SC..Hα-helixtrans-63.6-42.9177.5-58.4-57.4000112.3A21 G167 L173 F203A21-H169 HydrophobicContact CB-CB 4.1Å; G167-H169 PolarHBondContact O-N 3.25Å; H169-L173 WeakPolarHBondContact O-CB 3.49Å; H169-L173 PolarHBondContact O-N 3.07Å; H169-F203 HydrophobicContact CB-CE1 4.37Å; H169-F203 HydrophobicContact CB-CE2 4.29Å; H169-F203 HydrophobicContact CB-CZ 4.17Å; H169-F203 AromaticContact ND1-CD2 3.19Å; H169-F203 WeakPolarHBondContact ND1-CD2 3.39Å; H169-F203 AromaticContact ND1-CE2 3.39Å; H169-F203 WeakPolarHBondContact ND1-CE2 3.19Å; H169-F203 AromaticContact ND1-CG 3.78Å; H169-F203 WeakPolarHBondContact O-CE1 3.15Å
170S95.7Very high95.4Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-66.2-46.2179.2-172.80000111.3T23 N164 G167 G172 L173 M174T23-S170 WeakPolarHBondContact CA-OG 3.39Å; T23-S170 WeakPolarHBondContact CB-OG 3.47Å; T23-S170 WeakPolarHBondContact CG2-OG 3.33Å; T23-S170 PolarHBondContact OG1-OG 3.18Å; N164-S170 VanDerWaalsContact O-CB 3.26Å; N164-S170 WeakPolarHBondContact O-CB 3.37Å; N164-S170 PolarHBondContact O-OG 3.04Å; G167-S170 PolarHBondContact O-N 2.9Å; S170-G172 PolarHBondContact O-N 3.09Å; S170-L173 PolarHBondContact O-N 3.26Å; S170-M174 VanDerWaalsContact O-CG 3.26Å; S170-M174 WeakPolarHBondContact O-CG 3.09Å; S170-M174 PolarHBondContact O-N 3.25Å
171V95.9Very high95.3Very high3 Ų315 Ų152%0.0188%0.081CC..Hα-helixtrans-58.7-51.8179172.30000111.2N165 G167 A168 L173 M174 W175N165-V171 HydrophobicContact CB-CG2 4.44Å; N165-V171 WeakPolarHBondContact O-CG2 3.46Å; G167-V171 WeakPolarHBondContact O-CG2 3.44Å; G167-V171 PolarHBondContact O-N 3.45Å; A168-V171 PolarHBondContact O-N 3.01Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 3.49Å; V171-M174 PolarHBondContact O-N 3.26Å; V171-W175 PolarHBondContact O-N 3.42Å
172G95.4Very high95.1Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-66.2-35.3-178.900000112.9A168 S170 W175 W176 Y202A168-G172 PolarHBondContact O-N 3.3Å; A168-G172 VanDerWaalsContact O-N 3.07Å; S170-G172 PolarHBondContact O-N 3.09Å; G172-W175 PolarHBondContact O-N 2.83Å; G172-W176 WeakPolarHBondContact O-CB 3.37Å; G172-W176 PolarHBondContact O-N 2.86Å; G172-Y202 WeakPolarHBondContact O-CB 3.46Å
173L96.6Very high95Very high5 Ų515.7 Ų15.73%0.0268%0.084CC..Hα-helixtrans-65.8-38.9175.6168.7141.4000112.2K17 F18 A21 H169 S170 V171 W176 M177 F203K17-L173 HydrophobicContact CB-CD1 3.65Å; K17-L173 WeakPolarHBondContact O-CD1 3.37Å; F18-L173 HydrophobicContact CD1-CD2 3.59Å; F18-L173 HydrophobicContact CE1-CD2 3.8Å; A21-L173 HydrophobicContact CB-CB 4.4Å; A21-L173 HydrophobicContact CB-CD1 3.79Å; A21-L173 HydrophobicContact CB-CD2 4.43Å; A21-L173 HydrophobicContact CB-CG 4.46Å; H169-L173 WeakPolarHBondContact O-CB 3.49Å; H169-L173 PolarHBondContact O-N 3.07Å; S170-L173 PolarHBondContact O-N 3.26Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 3.49Å; L173-W176 PolarHBondContact O-N 3.28Å; L173-M177 HydrophobicContact CD1-CE 3.87Å; L173-M177 HydrophobicContact CD2-CE 3.18Å; L173-M177 HydrophobicContact CG-CE 3.44Å; L173-M177 VanDerWaalsContact CG-CE 3.44Å; L173-M177 WeakPolarHBondContact O-CG 3.39Å; L173-M177 PolarHBondContact O-N 2.97Å; L173-F203 HydrophobicContact CB-CE1 3.97Å
174M96.9Very high94.9Very high1 Ų117.1 Ų17.11%0.0059%0.089CC..Hα-helixtrans-62-45.2175.2-71.7-57.7-59.500111.4F18 T23 T54 L58 L147 I161 C163 S170 V171 M177 L178F18-M174 HydrophobicContact CD1-SD 4.4Å; F18-M174 HydrophobicContact CE1-SD 3.64Å; T23-M174 HydrophobicContact CG2-CG 4.48Å; T23-M174 HydrophobicContact CG2-SD 3.87Å; T54-M174 HydrophobicContact CG2-CE 3.91Å; T54-M174 HydrophobicContact CG2-SD 4.19Å; L58-M174 HydrophobicContact CD1-CE 3.99Å; L147-M174 HydrophobicContact CD1-CB 4.05Å; L147-M174 HydrophobicContact CD2-CB 4.25Å; L147-M174 HydrophobicContact CD2-CE 4.16Å; I161-M174 HydrophobicContact CG2-CE 3.31Å; C163-M174 HydrophobicContact CB-CE 4.02Å; C163-M174 HydrophobicContact CB-CG 3.85Å; C163-M174 HydrophobicContact CB-SD 3.87Å; S170-M174 VanDerWaalsContact O-CG 3.26Å; S170-M174 WeakPolarHBondContact O-CG 3.09Å; S170-M174 PolarHBondContact O-N 3.25Å; V171-M174 PolarHBondContact O-N 3.26Å; M174-M177 PolarHBondContact O-N 2.81Å; M174-L178 WeakPolarHBondContact O-CB 3.45Å; M174-L178 PolarHBondContact O-N 3.38Å
175W97.1Very high94.7Very high1 Ų118.4 Ų18.40%0.00410%0.095CC..Hα-helixtrans-64-44175.6-78.9110.3000112.9V76 A86 V87 F90 V123 T125 V171 G172 L178 A179 Y202V76-W175 HydrophobicContact CG1-CE3 4.33Å; V76-W175 HydrophobicContact CG1-CH2 3.13Å; V76-W175 HydrophobicContact CG1-CZ2 3.92Å; V76-W175 HydrophobicContact CG1-CZ3 3.36Å; A86-W175 HydrophobicContact CB-CB 3.93Å; A86-W175 VanDerWaalsContact CB-CD1 3.41Å; A86-W175 HydrophobicContact CB-CG 3.79Å; V87-W175 HydrophobicContact CG2-CH2 4.31Å; V87-W175 HydrophobicContact CG2-CZ2 3.75Å; F90-W175 HydrophobicContact CB-CD2 4.49Å; F90-W175 HydrophobicContact CB-CE3 3.83Å; F90-W175 HydrophobicContact CB-CZ3 4.45Å; F90-W175 AromaticContact CD1-CE3 3.88Å; F90-W175 HydrophobicContact CD1-CE3 3.88Å; F90-W175 AromaticContact CD1-CZ3 3.72Å; F90-W175 HydrophobicContact CD1-CZ3 3.72Å; F90-W175 AromaticContact CD2-CE3 3.5Å; F90-W175 HydrophobicContact CD2-CE3 3.5Å; F90-W175 VanDerWaalsContact CD2-CE3 3.5Å; F90-W175 HydrophobicContact CD2-CZ3 4.05Å; F90-W175 WeakPolarHBondContact CD2-O 3.09Å; F90-W175 HydrophobicContact CE1-CE3 4.36Å; F90-W175 AromaticContact CE1-CZ3 3.93Å; F90-W175 HydrophobicContact CE1-CZ3 3.93Å; F90-W175 HydrophobicContact CE2-CE3 4.03Å; F90-W175 HydrophobicContact CE2-CZ3 4.25Å; F90-W175 HydrophobicContact CG-CD2 4.49Å; F90-W175 AromaticContact CG-CE3 3.43Å; F90-W175 HydrophobicContact CG-CE3 3.43Å; F90-W175 VanDerWaalsContact CG-CE3 3.43Å; F90-W175 AromaticContact CG-CZ3 3.79Å; F90-W175 HydrophobicContact CG-CZ3 3.79Å; F90-W175 HydrophobicContact CZ-CE3 4.44Å; F90-W175 HydrophobicContact CZ-CZ3 4.21Å; V123-W175 HydrophobicContact CB-CH2 3.87Å; V123-W175 HydrophobicContact CB-CZ3 4.34Å; V123-W175 HydrophobicContact CG1-CH2 3.35Å; V123-W175 HydrophobicContact CG1-CZ2 4.32Å; V123-W175 HydrophobicContact CG1-CZ3 3.81Å; T125-W175 HydrophobicContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-CZ2 3.48Å; T125-W175 VanDerWaalsContact CG2-NE1 3.3Å; V171-W175 PolarHBondContact O-N 3.42Å; G172-W175 PolarHBondContact O-N 2.83Å; W175-L178 PolarHBondContact O-N 2.97Å; W175-A179 PolarHBondContact O-N 3.33Å; W175-Y202 HydrophobicContact CB-CD1 3.88Å; W175-Y202 HydrophobicContact CB-CE1 4.37Å
176W96.7Very high94.6Very high12 Ų1222.1 Ų22.15%0.04511%0.109CC..Hα-helixtrans-60.3-46.8177.3177.785.8000111.4K17 G172 L173 L178 A179 R180 W195 V197 P199 Y202K17-W176 HydrophobicContact CD-CZ3 4.21Å; G172-W176 WeakPolarHBondContact O-CB 3.37Å; G172-W176 PolarHBondContact O-N 2.86Å; L173-W176 PolarHBondContact O-N 3.28Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.42Å; W176-A179 PolarHBondContact O-N 3.49Å; W176-R180 WeakPolarHBondContact O-CB 3.45Å; W176-R180 PolarHBondContact O-N 3.5Å; W176-W195 AromaticContact CD1-CE3 3.97Å; W176-W195 AromaticContact CD1-CZ3 3.42Å; W176-W195 VanDerWaalsContact CD1-CZ3 3.42Å; W176-W195 HydrophobicContact CD2-CE3 4.36Å; W176-W195 HydrophobicContact CD2-CZ3 4.22Å; W176-W195 AromaticContact CE2-CE3 3.56Å; W176-W195 AromaticContact CE2-CZ3 3.79Å; W176-W195 HydrophobicContact CG-CZ3 4.02Å; W176-W195 AromaticContact CZ2-CE3 3.86Å; W176-W195 HydrophobicContact CZ2-CE3 3.86Å; W176-W195 AromaticContact NE1-CE3 3.29Å; W176-W195 VanDerWaalsContact NE1-CE3 3.29Å; W176-W195 AromaticContact NE1-CZ3 3.26Å; W176-W195 VanDerWaalsContact NE1-CZ3 3.26Å; W176-V197 PolarHBondContact NE1-O 3.34Å; W176-P199 HydrophobicContact CB-CB 4.48Å; W176-P199 HydrophobicContact CD2-CB 3.81Å; W176-P199 HydrophobicContact CE3-CB 4.1Å; W176-P199 HydrophobicContact CG-CB 3.98Å; W176-Y202 HydrophobicContact CB-CD1 4.19Å; W176-Y202 HydrophobicContact CB-CD2 3.92Å; W176-Y202 HydrophobicContact CB-CE2 4.3Å; W176-Y202 HydrophobicContact CB-CG 3.88Å; W176-Y202 AromaticContact CD1-CD2 3.57Å; W176-Y202 AromaticContact CD1-CE2 3.52Å; W176-Y202 HydrophobicContact CG-CD2 4.15Å; W176-Y202 HydrophobicContact CG-CE2 4.31Å
177M95.7Very high94.6Very high0 Ų020.4 Ų20.40%012%0.119CC..Hα-helixtrans-65.2-37.7177.4-73.6-156.9-123.200112.4F18 W55 L58 L173 M174 R180 E181F18-M177 HydrophobicContact CD1-CE 3.53Å; F18-M177 HydrophobicContact CD2-CE 3.95Å; F18-M177 HydrophobicContact CE1-CE 3.14Å; F18-M177 HydrophobicContact CE1-SD 3.91Å; F18-M177 HydrophobicContact CE2-CE 3.61Å; F18-M177 HydrophobicContact CE2-SD 3.73Å; F18-M177 HydrophobicContact CG-CE 3.92Å; F18-M177 HydrophobicContact CZ-CE 3.2Å; F18-M177 HydrophobicContact CZ-SD 3.35Å; F18-M177 WeakPolarHBondContact CZ-SD 3.42Å; W55-M177 HydrophobicContact CZ3-SD 4.1Å; L58-M177 HydrophobicContact CD2-CB 3.81Å; L173-M177 HydrophobicContact CD1-CE 3.87Å; L173-M177 HydrophobicContact CD2-CE 3.18Å; L173-M177 HydrophobicContact CG-CE 3.44Å; L173-M177 VanDerWaalsContact CG-CE 3.44Å; L173-M177 WeakPolarHBondContact O-CG 3.39Å; L173-M177 PolarHBondContact O-N 2.97Å; M174-M177 PolarHBondContact O-N 2.81Å; M177-R180 PolarHBondContact O-N 3.47Å; M177-E181 WeakPolarHBondContact O-CG 3.38Å; M177-E181 PolarHBondContact O-N 3.09Å
178L96.4Very high94.6Very high2 Ų224.1 Ų24.11%0.0114%0.137CC..Hα-helixtrans-61.6-48.8175.7-155.8159.1000110.5L58 I65 F90 I161 M174 W175 W176 R180 E181 V182L58-L178 HydrophobicContact CD1-CB 3.87Å; L58-L178 HydrophobicContact CD1-CD1 4.07Å; L58-L178 HydrophobicContact CD1-CG 3.97Å; I65-L178 HydrophobicContact CD1-CD1 4.49Å; I65-L178 HydrophobicContact CD1-CD2 3.41Å; I65-L178 VanDerWaalsContact CD1-CD2 3.41Å; F90-L178 HydrophobicContact CE2-CB 4.05Å; F90-L178 HydrophobicContact CE2-CD2 3.37Å; F90-L178 HydrophobicContact CE2-CG 4.25Å; F90-L178 HydrophobicContact CZ-CD2 3.5Å; F90-L178 VanDerWaalsContact CZ-CD2 3.5Å; I161-L178 HydrophobicContact CD1-CD1 4.06Å; M174-L178 WeakPolarHBondContact O-CB 3.45Å; M174-L178 PolarHBondContact O-N 3.38Å; W175-L178 PolarHBondContact O-N 2.97Å; W176-L178 VanDerWaalsContact C-N 3.33Å; W176-L178 PolarHBondContact O-N 3.42Å; L178-R180 VanDerWaalsContact C-N 3.33Å; L178-R180 PolarHBondContact O-N 2.87Å; L178-E181 PolarHBondContact O-N 3.32Å; L178-V182 HydrophobicContact CD2-CG2 3.75Å; L178-V182 WeakPolarHBondContact O-CG2 3.42Å; L178-V182 PolarHBondContact O-N 3.47Å
179A96.1Very high94.5Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-58.6-46.8177.900000111.2F90 A93 T94 W175 W176 E181 V182 L183 W195F90-A179 HydrophobicContact CD2-CB 3.61Å; F90-A179 HydrophobicContact CE2-CB 3.86Å; A93-A179 HydrophobicContact CB-CB 4.49Å; T94-A179 HydrophobicContact CG2-CB 4.25Å; W175-A179 PolarHBondContact O-N 3.33Å; W176-A179 PolarHBondContact O-N 3.49Å; A179-E181 PolarHBondContact O-N 3.24Å; A179-V182 PolarHBondContact O-N 3.35Å; A179-L183 WeakPolarHBondContact O-CG 3.32Å; A179-L183 PolarHBondContact O-N 3.15Å; A179-W195 HydrophobicContact CB-CH2 3.83Å; A179-W195 HydrophobicContact CB-CZ3 4.28Å
180R95.3Very high94.3Very high6 Ų621.6 Ų21.62%0.02313%0.127CC..Hα-helixtrans-58-46.1178.7-169.7-171.370.3174.47.8112.1D14 W176 M177 L178 R184 W195D14-R180 VanDerWaalsContact CG-NH2 3.34Å; D14-R180 IonicContact OD1-CZ 3.53Å; D14-R180 IonicContact OD1-NH1 3.48Å; D14-R180 PolarHBondContact OD1-NH1 3.14Å; D14-R180 IonicContact OD1-NH2 3.45Å; D14-R180 PolarHBondContact OD1-NH2 2.98Å; D14-R180 IonicContact OD2-CZ 2.86Å; D14-R180 IonicContact OD2-NH1 3.47Å; D14-R180 PolarHBondContact OD2-NH1 3.16Å; D14-R180 IonicContact OD2-NH2 2.74Å; D14-R180 PolarHBondContact OD2-NH2 3.23Å; W176-R180 WeakPolarHBondContact O-CB 3.45Å; W176-R180 PolarHBondContact O-N 3.5Å; M177-R180 PolarHBondContact O-N 3.47Å; L178-R180 VanDerWaalsContact C-N 3.33Å; L178-R180 PolarHBondContact O-N 2.87Å; R180-R184 VanDerWaalsContact CZ-NH1 3.29Å; R180-R184 VanDerWaalsContact NE-NH1 3.15Å; R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 VanDerWaalsContact O-CG 3.22Å; R180-R184 WeakPolarHBondContact O-CG 3.39Å; R180-R184 PolarHBondContact O-N 3.02Å; R180-W195 HydrophobicContact CB-CD2 4.49Å; R180-W195 HydrophobicContact CB-CE3 3.61Å; R180-W195 HydrophobicContact CB-CZ3 3.75Å; R180-W195 HydrophobicContact CG-CB 4.34Å; R180-W195 HydrophobicContact CG-CD2 4.31Å; R180-W195 HydrophobicContact CG-CE3 3.74Å; R180-W195 HydrophobicContact CG-CZ3 4.39Å
181E94.1Very high93.9Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-69.9-36.9179-69.2-53.4133.100112.5W55 L59 A62 M177 L178 A179 R184 M185 R191W55-E181 HydrophobicContact CH2-CG 4.25Å; L59-E181 HydrophobicContact CD2-CB 4.41Å; L59-E181 HydrophobicContact CD2-CG 4.01Å; A62-E181 HydrophobicContact CB-CB 3.99Å; M177-E181 WeakPolarHBondContact O-CG 3.38Å; M177-E181 PolarHBondContact O-N 3.09Å; L178-E181 PolarHBondContact O-N 3.32Å; A179-E181 PolarHBondContact O-N 3.24Å; E181-R184 PolarHBondContact O-N 2.97Å; E181-R184 IonicContact OE1-CZ 3.77Å; E181-R184 IonicContact OE1-NH1 2.73Å; E181-R184 PolarHBondContact OE1-NH1 2.99Å; E181-M185 WeakPolarHBondContact O-CG 3.29Å; E181-M185 PolarHBondContact O-N 3.27Å; E181-R191 IonicContact OE2-CZ 3.68Å; E181-R191 IonicContact OE2-NH1 3.84Å; E181-R191 IonicContact OE2-NH2 2.79Å; E181-R191 PolarHBondContact OE2-NH2 3.02Å
182V95Very high93.4Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-61.8-46.4174.2170.10000110.7A62 I65 V66 T94 L178 A179 R184 M185 R186A62-V182 HydrophobicContact CB-CG2 3.98Å; I65-V182 HydrophobicContact CB-CG2 4.13Å; I65-V182 HydrophobicContact CD1-CG2 4.39Å; I65-V182 HydrophobicContact CG2-CG1 4.02Å; I65-V182 HydrophobicContact CG2-CG2 3.9Å; V66-V182 HydrophobicContact CG2-CG1 4.12Å; T94-V182 HydrophobicContact CG2-CB 4.43Å; T94-V182 HydrophobicContact CG2-CG1 4.16Å; L178-V182 HydrophobicContact CD2-CG2 3.75Å; L178-V182 WeakPolarHBondContact O-CG2 3.42Å; L178-V182 PolarHBondContact O-N 3.47Å; A179-V182 PolarHBondContact O-N 3.35Å; V182-R184 PolarHBondContact O-N 3.47Å; V182-M185 PolarHBondContact O-N 3.02Å; V182-R186 WeakPolarHBondContact O-CG 3.11Å; V182-R186 PolarHBondContact O-N 3.48Å
183L94.5Very high93Very high13 Ų1338.1 Ų38.17%0.06820%0.202CC..Hα-helixtrans-66.4-36.3178.6-69.1173.7000112.8A179 M185 R186 G187 T188 I189 W195A179-L183 WeakPolarHBondContact O-CG 3.32Å; A179-L183 PolarHBondContact O-N 3.15Å; L183-M185 VanDerWaalsContact C-N 3.34Å; L183-R186 PolarHBondContact O-N 3.3Å; L183-G187 PolarHBondContact O-N 3.4Å; L183-T188 HydrophobicContact CD2-CG2 4.46Å; L183-T188 PolarHBondContact O-N 3.47Å; L183-T188 VanDerWaalsContact O-N 3.16Å; L183-I189 HydrophobicContact CB-CD1 3.64Å; L183-I189 HydrophobicContact CB-CG1 4.09Å; L183-I189 HydrophobicContact CD1-CD1 3.63Å; L183-I189 HydrophobicContact CG-CD1 4.26Å; L183-W195 HydrophobicContact CD1-CH2 4.33Å; L183-W195 HydrophobicContact CD1-CZ2 3.71Å
184R93.3Very high92.6Very high32 Ų3243.3 Ų43.312%0.12124%0.236CC..Hα-helixtrans-63-39.2172-76.8168.6173.5177.3-0.7112.4R180 E181 V182 G187 R191R180-R184 VanDerWaalsContact CZ-NH1 3.29Å; R180-R184 VanDerWaalsContact NE-NH1 3.15Å; R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 VanDerWaalsContact O-CG 3.22Å; R180-R184 WeakPolarHBondContact O-CG 3.39Å; R180-R184 PolarHBondContact O-N 3.02Å; E181-R184 PolarHBondContact O-N 2.97Å; E181-R184 IonicContact OE1-CZ 3.77Å; E181-R184 IonicContact OE1-NH1 2.73Å; E181-R184 PolarHBondContact OE1-NH1 2.99Å; V182-R184 PolarHBondContact O-N 3.47Å; R184-G187 PolarHBondContact O-N 3.29Å; R184-R191 HydrophobicContact CG-CG 4.29Å
185M92.1Very high92.4Very high53 Ų5345.2 Ų45.226%0.26124%0.243SC..Hα-helixtrans-74-31.4177.8-72.6-174-16400112.7L59 A62 R63 V66 E181 V182 L183 G187L59-M185 HydrophobicContact CD2-CE 3.83Å; A62-M185 HydrophobicContact CB-CE 3.93Å; A62-M185 HydrophobicContact CB-SD 4.16Å; R63-M185 HydrophobicContact CB-SD 4.47Å; R63-M185 HydrophobicContact CG-CE 3.87Å; R63-M185 HydrophobicContact CG-SD 3.68Å; V66-M185 HydrophobicContact CG1-CB 4.34Å; V66-M185 HydrophobicContact CG2-CB 3.64Å; V66-M185 HydrophobicContact CG2-SD 4.23Å; E181-M185 WeakPolarHBondContact O-CG 3.29Å; E181-M185 PolarHBondContact O-N 3.27Å; V182-M185 PolarHBondContact O-N 3.02Å; L183-M185 VanDerWaalsContact C-N 3.34Å; M185-G187 PolarHBondContact O-N 3.41Å
186R91.9Very high92.1Very high79 Ų7954.3 Ų54.330%0.29829%0.285SS..Hα-helixtrans-74.7-10.7173.6-71.6-177.1178.2173.23.1113.9V66 T94 V182 L183 T188V66-R186 HydrophobicContact CG1-CG 4.47Å; V66-R186 HydrophobicContact CG2-CG 4.33Å; T94-R186 PolarHBondContact O-NH1 3.31Å; V182-R186 WeakPolarHBondContact O-CG 3.11Å; V182-R186 PolarHBondContact O-N 3.48Å; L183-R186 PolarHBondContact O-N 3.3Å; R186-T188 VanDerWaalsContact C-N 3.31Å
187G90.7Very high91.8Very high63 Ų6355.8 Ų55.865%0.64930%0.295SS*.THydrogen-bonded Turntrans80.56.5-179.100000114.7L183 R184 M185 I189L183-G187 PolarHBondContact O-N 3.4Å; R184-G187 PolarHBondContact O-N 3.29Å; M185-G187 PolarHBondContact O-N 3.41Å; G187-I189 VanDerWaalsContact C-N 3.31Å
188T90.7Very high91.7Very high103 Ų10362.5 Ų62.563%0.63233%0.329SS*.SBendtrans-69.1-32.4176.3-47.20000111.9L183 R186L183-T188 HydrophobicContact CD2-CG2 4.46Å; L183-T188 PolarHBondContact O-N 3.47Å; L183-T188 VanDerWaalsContact O-N 3.16Å; R186-T188 VanDerWaalsContact C-N 3.31Å
189I90.9Very high91.5Very high28 Ų2863.6 Ų63.614%0.14434%0.336CS..SBendtrans-126.9131.9-178.3-57.9172.4000108.6L183 G187 W195L183-I189 HydrophobicContact CB-CD1 3.64Å; L183-I189 HydrophobicContact CB-CG1 4.09Å; L183-I189 HydrophobicContact CD1-CD1 3.63Å; L183-I189 HydrophobicContact CG-CD1 4.26Å; G187-I189 VanDerWaalsContact C-N 3.31Å; I189-W195 HydrophobicContact CD1-CD2 4.16Å; I189-W195 HydrophobicContact CD1-CG 3.85Å; I189-W195 VanDerWaalsContact CD1-NE1 3.31Å
190S90.3Very high91.3Very high52 Ų5267.3 Ų67.336%0.36436%0.356SS..  trans-74.2156.3173.574.60000111.5E192 H193S190-E192 VanDerWaalsContact C-N 3.27Å; S190-H193 PolarHBondContact OG-CD2 2.92Å; S190-H193 PolarHBondContact OG-N 3.01Å
191R86.4Confident91.2Very high51 Ų5170.5 Ų70.519%0.19237%0.373CS..SBendtrans-77.7-15.2175.8-75.1-175.6174.5-97.4-25.2113.7V7 L8 E181 R184V7-R191 VanDerWaalsContact CG1-CD 3.45Å; V7-R191 PolarHBondContact O-NH1 3.16Å; L8-R191 VanDerWaalsContact CD2-NH1 3.3Å; E181-R191 IonicContact OE2-CZ 3.68Å; E181-R191 IonicContact OE2-NH1 3.84Å; E181-R191 IonicContact OE2-NH2 2.79Å; E181-R191 PolarHBondContact OE2-NH2 3.02Å; R184-R191 HydrophobicContact CG-CG 4.29Å
192E85.7Confident91.2Very high172 Ų17270.7 Ų70.780%0.80437%0.374SS*.SBendtrans-82.5-41.5-177.2-64.7-178.8176.600111.3S190S190-E192 VanDerWaalsContact C-N 3.27Å
193H86.8Confident91.1Very high128 Ų12871.8 Ų71.859%0.59338%0.378SS*.SBendtrans-84.4135.4178.4-61.2-50.3000111.1S190S190-H193 PolarHBondContact OG-CD2 2.92Å; S190-H193 PolarHBondContact OG-N 3.01Å
194P88.5Confident90.8Very high113 Ų11373.5 Ų73.573%0.73438%0.384SS*.PPolyproline II helixtrans-63.2145.7172.128.6-33.8000109.4E196P194-E196 PolarHBondContact O-N 3.23Å
195W91.4Very high90.3Very high42 Ų4276.4 Ų76.416%0.15940%0.395CS..PPolyproline II helixtrans-76.4125175.7-172.427.1000109.5A93 W176 A179 R180 L183 I189 V197 Y202A93-W195 HydrophobicContact CB-CZ2 4.45Å; W176-W195 AromaticContact CD1-CE3 3.97Å; W176-W195 AromaticContact CD1-CZ3 3.42Å; W176-W195 VanDerWaalsContact CD1-CZ3 3.42Å; W176-W195 HydrophobicContact CD2-CE3 4.36Å; W176-W195 HydrophobicContact CD2-CZ3 4.22Å; W176-W195 AromaticContact CE2-CE3 3.56Å; W176-W195 AromaticContact CE2-CZ3 3.79Å; W176-W195 HydrophobicContact CG-CZ3 4.02Å; W176-W195 AromaticContact CZ2-CE3 3.86Å; W176-W195 HydrophobicContact CZ2-CE3 3.86Å; W176-W195 AromaticContact NE1-CE3 3.29Å; W176-W195 VanDerWaalsContact NE1-CE3 3.29Å; W176-W195 AromaticContact NE1-CZ3 3.26Å; W176-W195 VanDerWaalsContact NE1-CZ3 3.26Å; A179-W195 HydrophobicContact CB-CH2 3.83Å; A179-W195 HydrophobicContact CB-CZ3 4.28Å; R180-W195 HydrophobicContact CB-CD2 4.49Å; R180-W195 HydrophobicContact CB-CE3 3.61Å; R180-W195 HydrophobicContact CB-CZ3 3.75Å; R180-W195 HydrophobicContact CG-CB 4.34Å; R180-W195 HydrophobicContact CG-CD2 4.31Å; R180-W195 HydrophobicContact CG-CE3 3.74Å; R180-W195 HydrophobicContact CG-CZ3 4.39Å; L183-W195 HydrophobicContact CD1-CH2 4.33Å; L183-W195 HydrophobicContact CD1-CZ2 3.71Å; I189-W195 HydrophobicContact CD1-CD2 4.16Å; I189-W195 HydrophobicContact CD1-CG 3.85Å; I189-W195 VanDerWaalsContact CD1-NE1 3.31Å; W195-V197 HydrophobicContact CD2-CB 3.96Å; W195-V197 HydrophobicContact CD2-CG2 4.38Å; W195-V197 HydrophobicContact CE3-CB 4.31Å; W195-V197 HydrophobicContact CG-CB 4.47Å; W195-V197 HydrophobicContact CH2-CB 4.32Å; W195-V197 HydrophobicContact CZ2-CB 3.93Å; W195-V197 HydrophobicContact CZ2-CG1 4.47Å; W195-V197 HydrophobicContact CZ2-CG2 3.86Å; W195-V197 HydrophobicContact CZ3-CB 4.48Å; W195-V197 PolarHBondContact O-N 3.44Å; W195-Y202 HydrophobicContact CH2-CE2 4.48Å
196E90.7Very high89.7Confident191 Ų19177.4 Ų77.489%0.89340%0.402SS*.SBendtrans-59.1-27.6-176.4-63.2173.4-176.900113.3P194 M198P194-E196 PolarHBondContact O-N 3.23Å; E196-M198 PolarHBondContact O-N 3.17Å
197V91.3Very high89.1Confident43 Ų4377.2 Ų77.226%0.26141%0.411SS..SBendtrans-75.9116.1-178.9-177.30000110W176 W195 L201 Y202W176-V197 PolarHBondContact NE1-O 3.34Å; W195-V197 HydrophobicContact CD2-CB 3.96Å; W195-V197 HydrophobicContact CD2-CG2 4.38Å; W195-V197 HydrophobicContact CE3-CB 4.31Å; W195-V197 HydrophobicContact CG-CB 4.47Å; W195-V197 HydrophobicContact CH2-CB 4.32Å; W195-V197 HydrophobicContact CZ2-CB 3.93Å; W195-V197 HydrophobicContact CZ2-CG1 4.47Å; W195-V197 HydrophobicContact CZ2-CG2 3.86Å; W195-V197 HydrophobicContact CZ3-CB 4.48Å; W195-V197 PolarHBondContact O-N 3.44Å; V197-L201 HydrophobicContact CG1-CD2 3.9Å; V197-Y202 HydrophobicContact CG1-CE2 4Å
198M93.1Very high88.6Confident141 Ų14182 Ų8270%0.69542%0.416SS*.  trans-68.1145.1175-68.6-176173.800112.3E196 D200 L201E196-M198 PolarHBondContact O-N 3.17Å; M198-D200 PolarHBondContact O-N 2.89Å; M198-L201 WeakPolarHBondContact O-CB 3.44Å; M198-L201 PolarHBondContact O-N 3.12Å
199P93Very high88Confident26 Ų2682 Ų8217%0.16941%0.409CS..G310 helixtrans-61.6-32.1178.824.6-33.6000113.1W176 L201 Y202W176-P199 HydrophobicContact CB-CB 4.48Å; W176-P199 HydrophobicContact CD2-CB 3.81Å; W176-P199 HydrophobicContact CE3-CB 4.1Å; W176-P199 HydrophobicContact CG-CB 3.98Å; P199-L201 PolarHBondContact O-N 3.31Å; P199-L201 VanDerWaalsContact O-N 3.09Å; P199-Y202 WeakPolarHBondContact O-CB 3.47Å; P199-Y202 PolarHBondContact O-N 2.89Å
200D92.7Very high87.4Confident77 Ų7783.1 Ų83.141%0.41242%0.415SS..G310 helixtrans-61.8-22.6-177-60.61.6000113.1M198 Y202 F203M198-D200 PolarHBondContact O-N 2.89Å; D200-Y202 PolarHBondContact O-N 2.95Å; D200-F203 HydrophobicContact CB-CD2 4.14Å; D200-F203 HydrophobicContact CB-CE2 4.28Å; D200-F203 PolarHBondContact O-N 3.09Å; D200-F203 VanDerWaalsContact O-N 3.14Å; D200-F203 WeakPolarHBondContact OD1-CE2 3.35Å
201L92.4Very high87Confident73 Ų7386.2 Ų86.238%0.38242%0.424SS..G310 helixtrans-61.4-29175.7-17066.4000112.1R85 K89 V197 M198 P199R85-L201 PolarHBondContact NE-O 3.19Å; R85-L201 PolarHBondContact NH2-O 3.45Å; K89-L201 HydrophobicContact CD-CD2 4.33Å; K89-L201 HydrophobicContact CD-CG 4.31Å; V197-L201 HydrophobicContact CG1-CD2 3.9Å; M198-L201 WeakPolarHBondContact O-CB 3.44Å; M198-L201 PolarHBondContact O-N 3.12Å; P199-L201 PolarHBondContact O-N 3.31Å; P199-L201 VanDerWaalsContact O-N 3.09Å
202Y93.6Very high86.8Confident4 Ų491 Ų912%0.01645%0.446CS..G310 helixtrans-85.9-14.5-179.9-74.8-112.1000113A86 K89 F90 G172 W175 W176 W195 V197 P199 D200A86-Y202 HydrophobicContact CB-CD1 4.37Å; A86-Y202 WeakPolarHBondContact CB-O 3.43Å; K89-Y202 HydrophobicContact CB-CD1 3.97Å; K89-Y202 HydrophobicContact CB-CD2 4.32Å; K89-Y202 HydrophobicContact CB-CE1 3.79Å; K89-Y202 HydrophobicContact CB-CE2 4.11Å; K89-Y202 HydrophobicContact CB-CG 4.24Å; K89-Y202 PolarHBondContact O-OH 2.87Å; F90-Y202 HydrophobicContact CB-CE1 4Å; G172-Y202 WeakPolarHBondContact O-CB 3.46Å; W175-Y202 HydrophobicContact CB-CD1 3.88Å; W175-Y202 HydrophobicContact CB-CE1 4.37Å; W176-Y202 HydrophobicContact CB-CD1 4.19Å; W176-Y202 HydrophobicContact CB-CD2 3.92Å; W176-Y202 HydrophobicContact CB-CE2 4.3Å; W176-Y202 HydrophobicContact CB-CG 3.88Å; W176-Y202 AromaticContact CD1-CD2 3.57Å; W176-Y202 AromaticContact CD1-CE2 3.52Å; W176-Y202 HydrophobicContact CG-CD2 4.15Å; W176-Y202 HydrophobicContact CG-CE2 4.31Å; W195-Y202 HydrophobicContact CH2-CE2 4.48Å; V197-Y202 HydrophobicContact CG1-CE2 4Å; P199-Y202 WeakPolarHBondContact O-CB 3.47Å; P199-Y202 PolarHBondContact O-N 2.89Å; D200-Y202 PolarHBondContact O-N 2.95Å
203F92.8Very high86.6Confident23 Ų2387.6 Ų87.610%0.10143%0.43CS..SBendtrans-68.6137.8-179.1-63.1-13.5000110.6R85 H169 L173 D200R85-F203 VanDerWaalsContact CD-O 3.22Å; R85-F203 WeakPolarHBondContact CD-O 3.39Å; R85-F203 PolarHBondContact NE-O 3.26Å; H169-F203 HydrophobicContact CB-CE1 4.37Å; H169-F203 HydrophobicContact CB-CE2 4.29Å; H169-F203 HydrophobicContact CB-CZ 4.17Å; H169-F203 AromaticContact ND1-CD2 3.19Å; H169-F203 WeakPolarHBondContact ND1-CD2 3.39Å; H169-F203 AromaticContact ND1-CE2 3.39Å; H169-F203 WeakPolarHBondContact ND1-CE2 3.19Å; H169-F203 AromaticContact ND1-CG 3.78Å; H169-F203 WeakPolarHBondContact O-CE1 3.15Å; L173-F203 HydrophobicContact CB-CE1 3.97Å; D200-F203 HydrophobicContact CB-CD2 4.14Å; D200-F203 HydrophobicContact CB-CE2 4.28Å; D200-F203 PolarHBondContact O-N 3.09Å; D200-F203 VanDerWaalsContact O-N 3.14Å; D200-F203 WeakPolarHBondContact OD1-CE2 3.35Å
204Y87.7Confident86.3Confident49 Ų4987.6 Ų87.619%0.19243%0.43CS..  trans-66.7132.3162180-109.2000108.4N81 T82 D206N81-Y204 HydrophobicContact CB-CE1 4.34Å; N81-Y204 HydrophobicContact CB-CE2 4.08Å; N81-Y204 WeakPolarHBondContact O-CD2 3.42Å; T82-Y204 HydrophobicContact CG2-CD1 4.44Å; T82-Y204 WeakPolarHBondContact O-CB 3.49Å; Y204-D206 WeakPolarHBondContact CE1-OD1 3.46Å
205R84Confident85.8Confident93 Ų9388 Ų8835%0.35142%0.422SS..  trans-116.3137170.2-66.9-168.7-174.9-176.70.2106.7I210 E213R205-I210 HydrophobicContact CB-CD1 3.89Å; R205-I210 HydrophobicContact CB-CG1 3.69Å; R205-E213 IonicContact CZ-OE2 3.64Å; R205-E213 IonicContact NH1-OE2 2.82Å; R205-E213 PolarHBondContact NH1-OE2 3.4Å
206D80Confident85.4Confident74 Ų7487.8 Ų87.840%0.39643%0.43SS..  trans-65.5134.5177-72.2-37.5000108.7Y204 E208 E209 I210Y204-D206 WeakPolarHBondContact CE1-OD1 3.46Å; D206-E208 PolarHBondContact O-N 3.16Å; D206-E208 VanDerWaalsContact O-N 3.16Å; D206-E209 HydrophobicContact CB-CB 4.43Å; D206-E209 HydrophobicContact CB-CG 4.09Å; D206-E209 WeakPolarHBondContact O-CB 3.49Å; D206-E209 PolarHBondContact O-N 3Å; D206-I210 PolarHBondContact O-N 3.26Å; D206-I210 VanDerWaalsContact O-N 3.09Å
207P78.7Confident85.2Confident76 Ų7681.4 Ų81.449%0.49441%0.41SS..Hα-helixtrans-53-37.4-178.3-28.735.3000113.5E209 I210 E211P207-E209 VanDerWaalsContact C-N 3.34Å; P207-E209 PolarHBondContact O-N 3.46Å; P207-I210 PolarHBondContact O-N 3.13Å; P207-E211 WeakPolarHBondContact O-CG 3.43Å; P207-E211 PolarHBondContact O-N 3.08Å
208E79Confident84.8Confident162 Ų16282 Ų8276%0.75742%0.419SS*.Hα-helixtrans-64.5-36176.8-62179.1-176.200112.6D206 K212D206-E208 PolarHBondContact O-N 3.16Å; D206-E208 VanDerWaalsContact O-N 3.16Å; E208-K212 WeakPolarHBondContact O-CB 3.37Å; E208-K212 PolarHBondContact O-N 3.23Å; E208-K212 VanDerWaalsContact O-N 3.1Å
209E78.7Confident84Confident105 Ų10581.7 Ų81.749%0.49142%0.416SS..Hα-helixtrans-70.7-37.8175.8-67.1-175.7157.200111.1D206 P207 K212 E213D206-E209 HydrophobicContact CB-CB 4.43Å; D206-E209 HydrophobicContact CB-CG 4.09Å; D206-E209 WeakPolarHBondContact O-CB 3.49Å; D206-E209 PolarHBondContact O-N 3Å; P207-E209 VanDerWaalsContact C-N 3.34Å; P207-E209 PolarHBondContact O-N 3.46Å; E209-K212 PolarHBondContact O-N 3.3Å; E209-E213 WeakPolarHBondContact O-CB 3.31Å; E209-E213 VanDerWaalsContact O-CG 3.3Å; E209-E213 WeakPolarHBondContact O-CG 3.1Å; E209-E213 PolarHBondContact O-N 2.85Å
210I78.5Confident83.3Confident51 Ų5187.6 Ų87.626%0.26244%0.439SS..Hα-helixtrans-62.3-50175.7-59.7170.9000109.9R205 D206 P207 K212 E213 E214R205-I210 HydrophobicContact CB-CD1 3.89Å; R205-I210 HydrophobicContact CB-CG1 3.69Å; D206-I210 PolarHBondContact O-N 3.26Å; D206-I210 VanDerWaalsContact O-N 3.09Å; P207-I210 PolarHBondContact O-N 3.13Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.34Å; I210-E213 PolarHBondContact O-N 2.84Å; I210-E214 HydrophobicContact CG2-CG 4.24Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.3Å; I210-E214 WeakPolarHBondContact O-CB 3.37Å; I210-E214 VanDerWaalsContact O-CG 3.31Å; I210-E214 WeakPolarHBondContact O-CG 3.33Å; I210-E214 PolarHBondContact O-N 2.82Å
211E81.1Confident82.6Confident117 Ų11786.1 Ų86.155%0.54744%0.437SS..Hα-helixtrans-59.4-40.8179.1-72.9179.8-178.600111.7P207 Q215P207-E211 WeakPolarHBondContact O-CG 3.43Å; P207-E211 PolarHBondContact O-N 3.08Å; E211-Q215 WeakPolarHBondContact O-CB 3.35Å; E211-Q215 WeakPolarHBondContact O-CG 3.38Å; E211-Q215 PolarHBondContact O-N 2.86Å
212K82.3Confident81.5Confident152 Ų15286 Ų8666%0.66144%0.439SS*.Hα-helixtrans-69.1-40.5177.3-171.2177.7-178.61790112.8E208 E209 I210 A216E208-K212 WeakPolarHBondContact O-CB 3.37Å; E208-K212 PolarHBondContact O-N 3.23Å; E208-K212 VanDerWaalsContact O-N 3.1Å; E209-K212 PolarHBondContact O-N 3.3Å; I210-K212 VanDerWaalsContact C-N 3.28Å; I210-K212 PolarHBondContact O-N 3.34Å; K212-A216 WeakPolarHBondContact O-CB 3.21Å; K212-A216 PolarHBondContact O-N 3.1Å
213E81.2Confident80Confident100 Ų10089.5 Ų89.547%0.46746%0.461SS..Hα-helixtrans-65.4-40.8175.2-77.6-177.7169.600111.4R205 E209 I210 A216 A217R205-E213 IonicContact CZ-OE2 3.64Å; R205-E213 IonicContact NH1-OE2 2.82Å; R205-E213 PolarHBondContact NH1-OE2 3.4Å; E209-E213 WeakPolarHBondContact O-CB 3.31Å; E209-E213 VanDerWaalsContact O-CG 3.3Å; E209-E213 WeakPolarHBondContact O-CG 3.1Å; E209-E213 PolarHBondContact O-N 2.85Å; I210-E213 PolarHBondContact O-N 2.84Å; E213-A216 PolarHBondContact O-N 2.96Å; E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.23Å; E213-A217 PolarHBondContact O-N 3.37Å
214E82Confident78.6Confident128 Ų12895.3 Ų95.360%0.59849%0.487SS*.Hα-helixtrans-66.2-42.8176.6-74.6179.4177.800111.7I210 A217 A218I210-E214 HydrophobicContact CG2-CG 4.24Å; I210-E214 WeakPolarHBondContact CG2-OE1 3.3Å; I210-E214 WeakPolarHBondContact O-CB 3.37Å; I210-E214 VanDerWaalsContact O-CG 3.31Å; I210-E214 WeakPolarHBondContact O-CG 3.33Å; I210-E214 PolarHBondContact O-N 2.82Å; E214-A217 PolarHBondContact O-N 2.93Å; E214-A218 WeakPolarHBondContact O-CB 3.4Å; E214-A218 PolarHBondContact O-N 3.31Å
215Q78.5Confident77Confident121 Ų12199.2 Ų99.257%0.56551%0.506SS*.Hα-helixtrans-61.2-47.3172.8-75.2171.413.500111.5E211 A217 A218 E219E211-Q215 WeakPolarHBondContact O-CB 3.35Å; E211-Q215 WeakPolarHBondContact O-CG 3.38Å; E211-Q215 PolarHBondContact O-N 2.86Å; Q215-A217 VanDerWaalsContact C-N 3.29Å; Q215-A217 PolarHBondContact O-N 2.84Å; Q215-A218 PolarHBondContact O-N 3.44Å; Q215-E219 WeakPolarHBondContact O-CG 3.27Å; Q215-E219 PolarHBondContact O-N 3.39Å
216A83.1Confident75.4Confident38 Ų38100.3 Ų100.331%0.31452%0.516SS..Hα-helixtrans-65.1-32.7177.700000112.5K212 E213 K220K212-A216 WeakPolarHBondContact O-CB 3.21Å; K212-A216 PolarHBondContact O-N 3.1Å; E213-A216 PolarHBondContact O-N 2.96Å; A216-K220 WeakPolarHBondContact O-CB 3.43Å; A216-K220 VanDerWaalsContact O-CG 3.23Å; A216-K220 WeakPolarHBondContact O-CG 3.41Å; A216-K220 PolarHBondContact O-N 2.86Å
217A86.4Confident73.7Confident57 Ų57102.7 Ų102.747%0.47152%0.523SS..Hα-helixtrans-70.9-38.8173.900000111.6E213 E214 Q215 K220 A221E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.23Å; E213-A217 PolarHBondContact O-N 3.37Å; E214-A217 PolarHBondContact O-N 2.93Å; Q215-A217 VanDerWaalsContact C-N 3.29Å; Q215-A217 PolarHBondContact O-N 2.84Å; A217-K220 PolarHBondContact O-N 2.87Å; A217-A221 WeakPolarHBondContact O-CB 3.34Å; A217-A221 PolarHBondContact O-N 3.19Å
218A81.2Confident72.4Confident56 Ų56104.8 Ų104.846%0.46353%0.526SS..Hα-helixtrans-64.6-46.2174.300000111.4E214 Q215 K220 A221 V222E214-A218 WeakPolarHBondContact O-CB 3.4Å; E214-A218 PolarHBondContact O-N 3.31Å; Q215-A218 PolarHBondContact O-N 3.44Å; A218-K220 VanDerWaalsContact C-N 3.31Å; A218-K220 PolarHBondContact O-N 2.79Å; A218-A221 PolarHBondContact O-N 3.03Å; A218-A221 VanDerWaalsContact O-N 3.13Å; A218-V222 WeakPolarHBondContact O-CG2 3.4Å; A218-V222 PolarHBondContact O-N 2.95Å
219E76.8Confident71.1Confident133 Ų133101.8 Ų101.862%0.62152%0.519SS*.Hα-helixtrans-60.8-39.2174.2-71.8177.1176.600112.2Q215 T223Q215-E219 WeakPolarHBondContact O-CG 3.27Å; Q215-E219 PolarHBondContact O-N 3.39Å; E219-T223 WeakPolarHBondContact O-CB 3.48Å; E219-T223 WeakPolarHBondContact O-CG2 3.35Å; E219-T223 PolarHBondContact O-N 2.92Å; E219-T223 PolarHBondContact O-OG1 3.4Å
220K79.7Confident69.4Low150 Ų150104 Ų10465%0.65253%0.529SS*.Hα-helixtrans-68-34173.8-78176-176.1175.60113A216 A217 A218 T223 K224A216-K220 WeakPolarHBondContact O-CB 3.43Å; A216-K220 VanDerWaalsContact O-CG 3.23Å; A216-K220 WeakPolarHBondContact O-CG 3.41Å; A216-K220 PolarHBondContact O-N 2.86Å; A217-K220 PolarHBondContact O-N 2.87Å; A218-K220 VanDerWaalsContact C-N 3.31Å; A218-K220 PolarHBondContact O-N 2.79Å; K220-T223 VanDerWaalsContact CA-OG1 3.29Å; K220-T223 WeakPolarHBondContact CA-OG1 3.36Å; K220-T223 PolarHBondContact O-OG1 3.28Å; K220-T223 VanDerWaalsContact O-OG1 3.13Å; K220-K224 VanDerWaalsContact O-CB 3.28Å; K220-K224 WeakPolarHBondContact O-CB 3.41Å; K220-K224 PolarHBondContact O-N 3.16Å; K220-K224 VanDerWaalsContact O-N 3.09Å
221A76Confident67.8Low46 Ų46111.5 Ų111.538%0.3855%0.554SS.*Hα-helixtrans-69.1-45.8175.800000110.4A217 A218 K224 E225A217-A221 WeakPolarHBondContact O-CB 3.34Å; A217-A221 PolarHBondContact O-N 3.19Å; A218-A221 PolarHBondContact O-N 3.03Å; A218-A221 VanDerWaalsContact O-N 3.13Å; A221-K224 PolarHBondContact O-N 3.13Å; A221-K224 VanDerWaalsContact O-N 3.16Å; A221-E225 WeakPolarHBondContact O-CG 3.32Å; A221-E225 PolarHBondContact O-N 2.79Å
222V70.1Confident66.1Low71 Ų71111.3 Ų111.343%0.4356%0.561SS.*Hα-helixtrans-60.9-49.4177.1174.60000110.9A218 K224 E225 E226A218-V222 WeakPolarHBondContact O-CG2 3.4Å; A218-V222 PolarHBondContact O-N 2.95Å; V222-K224 VanDerWaalsContact C-N 3.26Å; V222-K224 PolarHBondContact O-N 3.15Å; V222-E225 PolarHBondContact O-N 2.68Å; V222-E225 VanDerWaalsContact O-N 3.15Å; V222-E226 HydrophobicContact CG1-CG 4.26Å; V222-E226 WeakPolarHBondContact O-CB 3.28Å; V222-E226 WeakPolarHBondContact O-CG 3.29Å; V222-E226 PolarHBondContact O-N 3.13Å
223T62.3Low64.1Low77 Ų77107.2 Ų107.247%0.47256%0.556SS.*Hα-helixtrans-62-31.9176.546.30000112.9E219 K220 F227E219-T223 WeakPolarHBondContact O-CB 3.48Å; E219-T223 WeakPolarHBondContact O-CG2 3.35Å; E219-T223 PolarHBondContact O-N 2.92Å; E219-T223 PolarHBondContact O-OG1 3.4Å; K220-T223 VanDerWaalsContact CA-OG1 3.29Å; K220-T223 WeakPolarHBondContact CA-OG1 3.36Å; K220-T223 PolarHBondContact O-OG1 3.28Å; K220-T223 VanDerWaalsContact O-OG1 3.13Å; T223-F227 WeakPolarHBondContact O-CB 3.42Å; T223-F227 PolarHBondContact O-N 3.09Å
224K62.7Low62.3Low146 Ų146108.4 Ų108.464%0.63557%0.572SS**Hα-helixtrans-73-36.8175.4-146.7178.5-170.7-174.70112.2K220 A221 V222 Q228K220-K224 VanDerWaalsContact O-CB 3.28Å; K220-K224 WeakPolarHBondContact O-CB 3.41Å; K220-K224 PolarHBondContact O-N 3.16Å; K220-K224 VanDerWaalsContact O-N 3.09Å; A221-K224 PolarHBondContact O-N 3.13Å; A221-K224 VanDerWaalsContact O-N 3.16Å; V222-K224 VanDerWaalsContact C-N 3.26Å; V222-K224 PolarHBondContact O-N 3.15Å; K224-Q228 WeakPolarHBondContact O-CB 3.27Å; K224-Q228 WeakPolarHBondContact O-CG 3.38Å; K224-Q228 PolarHBondContact O-N 2.88Å
225E54.5Low60.5Low130 Ų130106.6 Ų106.661%0.60758%0.579SS**Hα-helixtrans-69.6-40.3173.4-73.1178.8178.600111.6A221 V222 Q228 T229A221-E225 WeakPolarHBondContact O-CG 3.32Å; A221-E225 PolarHBondContact O-N 2.79Å; V222-E225 PolarHBondContact O-N 2.68Å; V222-E225 VanDerWaalsContact O-N 3.15Å; E225-Q228 PolarHBondContact O-N 2.83Å; E225-T229 PolarHBondContact O-N 3.35Å; E225-T229 PolarHBondContact O-OG1 2.95Å
226E51.5Low59Low116 Ų116106.7 Ų106.754%0.54259%0.591SS.*Hα-helixtrans-63.2-44.4172.7-74.8177.8167.100111.1V222 Q228 T229 E230V222-E226 HydrophobicContact CG1-CG 4.26Å; V222-E226 WeakPolarHBondContact O-CB 3.28Å; V222-E226 WeakPolarHBondContact O-CG 3.29Å; V222-E226 PolarHBondContact O-N 3.13Å; E226-Q228 VanDerWaalsContact C-N 3.34Å; E226-Q228 PolarHBondContact O-N 3.17Å; E226-T229 VanDerWaalsContact CA-OG1 3.27Å; E226-T229 WeakPolarHBondContact CA-OG1 3.37Å; E226-T229 PolarHBondContact O-N 2.91Å; E226-T229 PolarHBondContact O-OG1 3.45Å; E226-T229 VanDerWaalsContact O-OG1 3.08Å; E226-E230 WeakPolarHBondContact O-CB 3.22Å; E226-E230 PolarHBondContact O-N 3.08Å
227F43.4Very low56.7Low125 Ų125114 Ų11455%0.54862%0.618SS.*Hα-helixtrans-66.8-35176.1-164.4-95000112.5T223 W231T223-F227 WeakPolarHBondContact O-CB 3.42Å; T223-F227 PolarHBondContact O-N 3.09Å; F227-W231 AromaticContact CE1-CD1 3.91Å; F227-W231 AromaticContact CE1-NE1 3.93Å; F227-W231 AromaticContact CZ-NE1 3.79Å; F227-W231 PolarHBondContact O-N 3.46Å
228Q51Low54.4Low119 Ų119119.9 Ų119.956%0.55663%0.633SS**Hα-helixtrans-69.3-39.9172.7-81.2179-24.600111.9K224 E225 E226 W231 T232K224-Q228 WeakPolarHBondContact O-CB 3.27Å; K224-Q228 WeakPolarHBondContact O-CG 3.38Å; K224-Q228 PolarHBondContact O-N 2.88Å; E225-Q228 PolarHBondContact O-N 2.83Å; E226-Q228 VanDerWaalsContact C-N 3.34Å; E226-Q228 PolarHBondContact O-N 3.17Å; Q228-W231 PolarHBondContact O-N 3.1Å; Q228-T232 PolarHBondContact O-N 2.89Å; Q228-T232 VanDerWaalsContact O-N 3.1Å; Q228-T232 PolarHBondContact O-OG1 3.28Å
229T51.5Low52.2Low100 Ų100123.3 Ų123.361%0.61365%0.649SS**Hα-helixtrans-69.4-35.2177.130.30000112.4E225 E226 T232 A233E225-T229 PolarHBondContact O-N 3.35Å; E225-T229 PolarHBondContact O-OG1 2.95Å; E226-T229 VanDerWaalsContact CA-OG1 3.27Å; E226-T229 WeakPolarHBondContact CA-OG1 3.37Å; E226-T229 PolarHBondContact O-N 2.91Å; E226-T229 PolarHBondContact O-OG1 3.45Å; E226-T229 VanDerWaalsContact O-OG1 3.08Å; T229-T232 PolarHBondContact O-N 3.44Å; T229-A233 PolarHBondContact O-N 3.32Å
230E42.6Very low50.4Low151 Ų151120.7 Ų120.771%0.70665%0.65SS**Hα-helixtrans-69.7-33176.2-156.4170.9-151.300112.4E226E226-E230 WeakPolarHBondContact O-CB 3.22Å; E226-E230 PolarHBondContact O-N 3.08Å
231W45.5Very low48.6Very low208 Ų208118.7 Ų118.779%0.78865%0.652SS**Hα-helixtrans-78.9-17173.4-99.567.3000114.7F227 Q228F227-W231 AromaticContact CE1-CD1 3.91Å; F227-W231 AromaticContact CE1-NE1 3.93Å; F227-W231 AromaticContact CZ-NE1 3.79Å; F227-W231 PolarHBondContact O-N 3.46Å; Q228-W231 PolarHBondContact O-N 3.1Å
232T46.8Very low46.9Very low113 Ų113122.6 Ų122.669%0.69367%0.673SS**THydrogen-bonded Turntrans-98.48.6178.9-340000112.5Q228 T229 P234Q228-T232 PolarHBondContact O-N 2.89Å; Q228-T232 VanDerWaalsContact O-N 3.1Å; Q228-T232 PolarHBondContact O-OG1 3.28Å; T229-T232 PolarHBondContact O-N 3.44Å; T232-P234 WeakPolarHBondContact O-CD 3.45Å
233A39.1Very low45.3Very low67 Ų67128.2 Ų128.255%0.55470%0.695SS**SBendtrans-70.7120.5171.100000109.8T229 A235T229-A233 PolarHBondContact O-N 3.32Å; A233-A235 PolarHBondContact O-N 2.6Å
234P43.2Very low44.3Very low124 Ų124130.4 Ų130.481%0.80571%0.711SS**PPolyproline II helixtrans-64.9123.9179.324.7-30.1000109.6T232T232-P234 WeakPolarHBondContact O-CD 3.45Å
235A45.4Very low43Very low90 Ų90132.2 Ų132.274%0.74472%0.721SS**PPolyproline II helixtrans-56.3136.3176.400000110.2A233 E237A233-A235 PolarHBondContact O-N 2.6Å; A235-E237 PolarHBondContact O-N 3.24Å
236P45.6Very low42.1Very low124 Ų124132.4 Ų132.481%0.80573%0.731SS**PPolyproline II helixtrans-64129.3-178.726.1-32.1000109.9F238P236-F238 PolarHBondContact O-N 2.95Å
237E34.5Very low41.4Very low190 Ų190131.4 Ų131.489%0.88874%0.743SS**  trans-55.2104.5177.7-74.7179.2156.500110.5A235 T239A235-E237 PolarHBondContact O-N 3.24Å; E237-T239 PolarHBondContact O-N 3.34Å; E237-T239 VanDerWaalsContact O-N 3.17Å
238F39.7Very low40.9Very low182 Ų182131.8 Ų131.880%0.79875%0.751SS**  trans-78.596172.5-177-98.2000109P236 A240P236-F238 PolarHBondContact O-N 2.95Å; F238-A240 HydrophobicContact CD1-CB 4.44Å; F238-A240 HydrophobicContact CE1-CB 4.26Å; F238-A240 PolarHBondContact O-N 3.17Å; F238-A240 VanDerWaalsContact O-N 3.14Å
239T35.1Very low40.4Very low127 Ų127138.1 Ų138.178%0.77977%0.77SS**  trans-65104.4168450000109.9E237E237-T239 PolarHBondContact O-N 3.34Å; E237-T239 VanDerWaalsContact O-N 3.17Å
240A38.1Very low39.6Very low78 Ų78137.6 Ų137.665%0.64577%0.77SS**PPolyproline II helixtrans-77.4136.3174.300000111.4F238F238-A240 HydrophobicContact CD1-CB 4.44Å; F238-A240 HydrophobicContact CE1-CB 4.26Å; F238-A240 PolarHBondContact O-N 3.17Å; F238-A240 VanDerWaalsContact O-N 3.14Å
241P42.8Very low39.4Very low108 Ų108139.9 Ų139.970%0.70178%0.781SS**PPolyproline II helixtrans-78.4157.6-176.933.1-36.1000112.7
242P39.1Very low39Very low128 Ų128133.3 Ų133.383%0.83178%0.778SS**PPolyproline II helixtrans-73.3128.2-175.828.8-32.2000112.3
243Q37.3Very low38.5Very low190 Ų190134.9 Ų134.989%0.88879%0.787SS**PPolyproline II helixtrans-79.3141.4172.2-81.1-160.3-2700112.3
244P41.4Very low38.2Very low123 Ų123140.7 Ų140.780%0.79980%0.803SS**PPolyproline II helixtrans-98.9159.9164.435.4-27.1000113.7
245E35.1Very low38.3Very low183 Ų183141.4 Ų141.486%0.85580%0.804SS**  trans-45.9136.3-168.8-74.5164130.300120.8
246V34.8Very low37.9Very low134 Ų134142.6 Ų142.681%0.81281%0.805SS**  40.7120.3126.8-165.30000120.3
247A36.3Very low37.3Very low96 Ų96142.1 Ų142.179%0.79380%0.804SS**  trans-156.2120.9132.900000110.9
248D33.6Very low37.7Very low133 Ų133139.1 Ų139.171%0.71180%0.799SS**  trans-75.8134.3-175.1-169.212000112.5
249W41.3Very low37.6Very low251 Ų251136.2 Ų136.295%0.95180%0.798SS**  trans-145.889.8160.4-80.292000109
250S35Very low37.7Very low89 Ų89137.8 Ų137.862%0.62280%0.8SS**  trans-66.6138164.858.20000111.8
251E37.1Very low37.9Very low199 Ų199141.9 Ų141.993%0.9381%0.806SS**  -176.2125.8128.4-105.7178-17300111.3
252G36.9Very low37.4Very low71 Ų71145.8 Ų145.873%0.73281%0.814SS**  trans117.3103.2145.700000118.1
253V36.3Very low37.3Very low145 Ų145148.7 Ų148.788%0.87981%0.814SS**  trans97.798.5146.4-165.30000117.5
254Q32.9Very low37.4Very low190 Ų190145 Ų14589%0.88881%0.807SS**  trans-81.6144.2165.1-65176.2-61.100111.8
255V45.3Very low36.9Very low138 Ų138145.9 Ų145.984%0.83681%0.81SS**  trans-148.7144.2142.7-133.60000108.3
256P38.1Very low37.1Very low116 Ų116145.4 Ų145.475%0.75381%0.808SS**  trans-98.3161-14637.6-32.9000115.3
257S32.8Very low37.1Very low114 Ų114146 Ų14680%0.79781%0.807SS**  trans-61.1141.4-179.849.20000116.2
258V43.7Very low37.5Very low127 Ų127152.8 Ų152.877%0.7781%0.812SS**  trans-126127.4155.3-172.90000107.7
259P36.8Very low37.6Very low120 Ų120150.9 Ų150.978%0.77981%0.809SS**  trans-88.1132-178.133.6-28.9000110.2
260I37.8Very low37.4Very low161 Ų161143.5 Ų143.583%0.82680%0.801SS**  trans-121.8130.7166.1-66.3178.8000108.7
261Q41.7Very low37.6Very low164 Ų164148 Ų14877%0.76681%0.813SS**  trans-56.7137.9-169.8-87.1145.2-67.800114.6
262Q33Very low37.7Very low189 Ų189143.8 Ų143.888%0.88380%0.803SS**  trans-66.5129.6160-70.9168.7-46.200110
263F35.7Very low37.5Very low189 Ų189145 Ų14583%0.82981%0.806SS**  trans-108.4122.4152.6-78.2-80.9000107.2
264P39Very low37.7Very low113 Ų113144 Ų14473%0.73480%0.8SS**PPolyproline II helixtrans-79.9134.9175.58.76.1000110.8
265T32.5Very low38.1Very low141 Ų141143.3 Ų143.387%0.86580%0.797SS**PPolyproline II helixtrans-49.2124.3162.838.30000112
266E38Very low37.5Very low173 Ų173144 Ų14481%0.80880%0.796SS**PPolyproline II helixtrans-80.3118.8170.6-79.8180162.300110.7
267D36.1Very low37.8Very low148 Ų148149.5 Ų149.579%0.79180%0.802SS**PPolyproline II helixtrans-98.9116.6175.7-164.46000108.5S269D267-S269 PolarHBondContact O-N 3.14Å
268W44.6Very low38.3Very low237 Ų237149.4 Ų149.490%0.89880%0.802SS**  trans-94.350.3-168-100.588.5000113.2
269S35.4Very low38Very low93 Ų93148.6 Ų148.665%0.6581%0.808SS**  trans-152.996170.358.30000113.1D267D267-S269 PolarHBondContact O-N 3.14Å
270A37.6Very low38.3Very low96 Ų96147.5 Ų147.579%0.79381%0.809SS**  160.1142.7127.800000113
271Q38.6Very low38.4Very low184 Ų184145.8 Ų145.886%0.8681%0.809SS**  trans89.2158.6157.4-57.8-161.8-35.700119.1
272P38.8Very low38Very low110 Ų110145 Ų14571%0.71482%0.815SS**  -134.8-179.4-52.237.8-21.1000111.5
273A33.4Very low38.4Very low98 Ų98140.7 Ų140.781%0.8181%0.812SS**  trans-57.3136.4-18000000115.2
274T39.1Very low38.5Very low123 Ų123140.7 Ų140.776%0.75582%0.815SS**  trans-157.2125.9150.924.90000112.5
275E41.3Very low38.2Very low175 Ų175139.6 Ų139.682%0.81882%0.815SS**  trans86.4104.3139.5-65.2176.7-17800121.2
276D33Very low38.5Very low153 Ų153139 Ų13982%0.81881%0.812SS**  trans-86.6125.5172.9-175.312.9000110.7
277W45.5Very low38.2Very low231 Ų231139.5 Ų139.588%0.87581%0.814SS**  trans-15296.8167.8-86.690.4000110.5
278S41.7Very low38.4Very low113 Ų113143.5 Ų143.579%0.7982%0.818SS**  167.9104.7121.945.30000112.2
279A37.7Very low37.9Very low109 Ų109139.1 Ų139.190%0.90182%0.817SS**  trans-77.1145.5169.400000112
280A43Very low38.2Very low97 Ų97137.5 Ų137.580%0.80281%0.814SS**  trans-140.9143.8149.400000109.5
281P41.1Very low38.3Very low126 Ų126139.2 Ų139.282%0.81882%0.816SS**  trans-98.6156.9-147.737.2-33.7000115.1
282T32.6Very low38.3Very low146 Ų146135 Ų13590%0.89681%0.812SS**  trans-64.2138172.6-14.60000112.6
283A41Very low38.6Very low100 Ų100135.6 Ų135.683%0.82681%0.814SS**  trans-131.2139.9159.300000110
284Q38.3Very low38.8Very low189 Ų189139.8 Ų139.888%0.88382%0.817SS**  trans-79.1148.8-158.1-71.5165.8-50.600115.6
285A33.2Very low39.6Very low90 Ų90145 Ų14574%0.74482%0.823SS**  trans39.2124.8132.700000120.1
286T38Very low40.1Very low129 Ų129146 Ų14679%0.79185%0.848SS**  -160.6121.6113.8-31.70000110.6
287E32Very low40.5Very low182 Ų182145.6 Ų145.685%0.8585%0.85SS**  trans-74.2136.2164.4-69.1172.6138.900110
288W39.6Very low40.2Very low233 Ų233141.1 Ų141.188%0.88385%0.849SS**  trans-139.999.4157.6-99.176.4000109.8
289V34.9Very low40.1Very low145 Ų145142.7 Ų142.788%0.87985%0.852SS**  trans-88.8122.7157.4171.30000106.5
290G41.3Very low40.3Very low58 Ų58144.6 Ų144.660%0.59885%0.849SS**  trans-142.188.2-178.800000111.4
291T40.3Very low40.1Very low133 Ų133147.6 Ų147.682%0.81685%0.852SS**  trans16.4131.1144.448.40000121.1
292A37.7Very low40.1Very low94 Ų94149.1 Ų149.178%0.77785%0.854SS**  trans-25.8140.7155.600000117.8
293T46.7Very low40.6Very low124 Ų124149.3 Ų149.376%0.76185%0.851SS**  trans-157.5122.7141.6-20.20000110.8
294E37.2Very low40.6Very low186 Ų186153.1 Ų153.187%0.86985%0.853SS**  trans-63.8143.9168.2-69168139.400111.6
295W55.7Low40.7Very low233 Ų233150.1 Ų150.188%0.88385%0.851SS**  trans-138.5122.4162-81.269.6000109.6
296S52.2Low41.4Very low194 Ų194155.5 Ų155.5100%1.35786%0.86SS**  trans76.40171.3-45.50000118.3

Retrieved 296 of 296 residues in 99.6 ms (Link to these results)

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