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Signal recognition particle 19 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER) (By similarity). Binds directly to 7SL RNA (By similarity). Mediates binding of SRP54 to the SRP complex (By similarity).

AlphaFold DB , UniProt , Accession P09132, Species HUMAN (Homo sapiens, Human), Gene SRP19, Length 144 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
1M39.6Very low67.7Low249 Ų24993.4 Ų93.4100%1.22760%0.598SS**  0113.80-69.5-169-164.600108.5
2A45.9Very low69.8Low105 Ų10595.9 Ų95.987%0.86860%0.596SS**  trans-87.7107.4170.600000107.6A4A2-A4 PolarHBondContact O-N 2.81Å; A2-A4 VanDerWaalsContact O-N 3.14Å
3C43.1Very low71.5Confident124 Ų12497.3 Ų97.384%0.83860%0.597SS**  trans-56.3117.8170.6-159.60000107.3A5C3-A5 PolarHBondContact O-N 2.93Å
4A56.6Low73Confident89 Ų89101.5 Ų101.574%0.73660%0.596SS**  trans-68.588.1173.700000107.1A2 A6A2-A4 PolarHBondContact O-N 2.81Å; A2-A4 VanDerWaalsContact O-N 3.14Å; A4-A6 PolarHBondContact O-N 2.64Å; A4-A6 VanDerWaalsContact O-N 3.16Å
5A65.4Low74.6Confident58 Ų5895.3 Ų95.348%0.47956%0.559SS.*  trans-45.8127.1170.900000107.5C3 R7C3-A5 PolarHBondContact O-N 2.93Å; A5-R7 VanDerWaalsContact C-N 3.27Å; A5-R7 WeakPolarHBondContact O-CG 3.37Å; A5-R7 PolarHBondContact O-N 2.82Å
6A61Low76Confident108 Ų10890.1 Ų90.189%0.89353%0.528SS*.  trans-61.595176.300000107.5A4 S8A4-A6 PolarHBondContact O-N 2.64Å; A4-A6 VanDerWaalsContact O-N 3.16Å; A6-S8 PolarHBondContact O-N 3.29Å
7R79.8Confident77.3Confident136 Ų13687.1 Ų87.151%0.51351%0.513SS..  trans-86.7113.5-175.8-70.2-160.8179.788.4-3.1109.4A5 D11 D13 R14A5-R7 VanDerWaalsContact C-N 3.27Å; A5-R7 WeakPolarHBondContact O-CG 3.37Å; A5-R7 PolarHBondContact O-N 2.82Å; R7-D11 VanDerWaalsContact C-OD2 3.27Å; R7-D11 WeakPolarHBondContact CA-OD2 3.34Å; R7-D11 WeakPolarHBondContact CB-OD2 3.12Å; R7-D13 IonicContact NE-OD2 3.21Å; R7-R14 HydrophobicContact CB-CG 3.77Å
8S88.4Confident78.4Confident20 Ų2082.3 Ų82.314%0.1449%0.485CS..  trans-56142.7175.3169.60000110.1A6 A10 D11 R14 E89A6-S8 PolarHBondContact O-N 3.29Å; S8-A10 PolarHBondContact O-N 3.23Å; S8-A10 VanDerWaalsContact O-N 3.08Å; S8-A10 WeakPolarHBondContact OG-CB 3.18Å; S8-A10 PolarHBondContact OG-N 3.49Å; S8-A10 VanDerWaalsContact OG-N 3.11Å; S8-D11 PolarHBondContact N-OD2 3.29Å; S8-D11 VanDerWaalsContact O-CB 3.26Å; S8-D11 WeakPolarHBondContact O-CB 3.42Å; S8-D11 PolarHBondContact O-N 3.42Å; S8-R14 VanDerWaalsContact O-CG 3.24Å; S8-R14 WeakPolarHBondContact O-CG 3.24Å; S8-E89 WeakPolarHBondContact OG-CA 3.35Å; S8-E89 WeakPolarHBondContact OG-CG 3.29Å
9P85Confident79.5Confident40 Ų4079.4 Ų79.426%0.2646%0.464SS..THydrogen-bonded Turntrans-57.7-19.5170.6-21.933.4000113.8D11 K87P9-D11 VanDerWaalsContact C-N 3.32Å; P9-K87 HydrophobicContact CB-CB 3.59Å; P9-K87 HydrophobicContact CB-CD 4.47Å; P9-K87 HydrophobicContact CG-CB 4.32Å
10A88Confident80.4Confident33 Ų3375.8 Ų75.827%0.27344%0.443SS..THydrogen-bonded Turntrans-77.7-13172.900000113.7S8 Q12 F15 E89S8-A10 PolarHBondContact O-N 3.23Å; S8-A10 VanDerWaalsContact O-N 3.08Å; S8-A10 WeakPolarHBondContact OG-CB 3.18Å; S8-A10 PolarHBondContact OG-N 3.49Å; S8-A10 VanDerWaalsContact OG-N 3.11Å; A10-Q12 PolarHBondContact O-N 2.88Å; A10-F15 VanDerWaalsContact O-CE1 3.29Å; A10-F15 WeakPolarHBondContact O-CE1 3.29Å; A10-E89 HydrophobicContact CB-CB 4.08Å
11D92.1Very high81.2Confident65 Ų6572.3 Ų72.335%0.34842%0.424SS..SBendtrans-66.6134.8172.3-66.6-34.5000110R7 S8 P9 D13 R14 F15R7-D11 VanDerWaalsContact C-OD2 3.27Å; R7-D11 WeakPolarHBondContact CA-OD2 3.34Å; R7-D11 WeakPolarHBondContact CB-OD2 3.12Å; S8-D11 PolarHBondContact N-OD2 3.29Å; S8-D11 VanDerWaalsContact O-CB 3.26Å; S8-D11 WeakPolarHBondContact O-CB 3.42Å; S8-D11 PolarHBondContact O-N 3.42Å; P9-D11 VanDerWaalsContact C-N 3.32Å; D11-D13 PolarHBondContact O-N 3.25Å; D11-R14 HydrophobicContact CB-CG 4.17Å; D11-R14 WeakPolarHBondContact O-CA 3.41Å; D11-R14 WeakPolarHBondContact O-CB 3.32Å; D11-R14 PolarHBondContact O-N 2.82Å; D11-F15 VanDerWaalsContact O-CD1 3.26Å; D11-F15 WeakPolarHBondContact O-CD1 3.37Å; D11-F15 PolarHBondContact O-N 2.92Å
12Q92.5Very high84Confident124 Ų12462.2 Ų62.258%0.57937%0.372SS*.G310 helixtrans-56-30.9-179.7-69.2-172-0.900112.7A10 R14 F15 F61 R83A10-Q12 PolarHBondContact O-N 2.88Å; Q12-R14 PolarHBondContact O-N 3.48Å; Q12-F15 HydrophobicContact CG-CZ 4.43Å; Q12-F15 WeakPolarHBondContact O-CB 3.15Å; Q12-F15 PolarHBondContact O-N 3.02Å; Q12-F61 HydrophobicContact CB-CE1 3.84Å; Q12-F61 HydrophobicContact CB-CZ 3.91Å; Q12-F61 HydrophobicContact CG-CE1 3.84Å; Q12-F61 HydrophobicContact CG-CZ 4.31Å; Q12-R83 VanDerWaalsContact O-CZ 3.24Å; Q12-R83 PolarHBondContact O-NH2 3.49Å
13D91.6Very high86.5Confident114 Ų11457.2 Ų57.261%0.6133%0.331SS*.G310 helixtrans-65.4-23.7175.4-75.1-24000113.5R7 D11 R83R7-D13 IonicContact NE-OD2 3.21Å; D11-D13 PolarHBondContact O-N 3.25Å; D13-R83 VanDerWaalsContact C-NH2 3.28Å; D13-R83 PolarHBondContact O-NH2 3.46Å
14R93.5Very high89.1Confident156 Ų15651.5 Ų51.559%0.58929%0.292SS*.G310 helixtrans-92.3-8.7179.6-60.8-66.1-67.3174.2-2.7113.1R7 S8 D11 Q12R7-R14 HydrophobicContact CB-CG 3.77Å; S8-R14 VanDerWaalsContact O-CG 3.24Å; S8-R14 WeakPolarHBondContact O-CG 3.24Å; D11-R14 HydrophobicContact CB-CG 4.17Å; D11-R14 WeakPolarHBondContact O-CA 3.41Å; D11-R14 WeakPolarHBondContact O-CB 3.32Å; D11-R14 PolarHBondContact O-N 2.82Å; Q12-R14 PolarHBondContact O-N 3.48Å
15F96.4Very high91.1Very high9 Ų949.8 Ų49.84%0.03927%0.27CS..SBendtrans-60.2139.6175.7-74.619.8000110.5A10 D11 Q12 F61 R83 V84 Q85A10-F15 VanDerWaalsContact O-CE1 3.29Å; A10-F15 WeakPolarHBondContact O-CE1 3.29Å; D11-F15 VanDerWaalsContact O-CD1 3.26Å; D11-F15 WeakPolarHBondContact O-CD1 3.37Å; D11-F15 PolarHBondContact O-N 2.92Å; Q12-F15 HydrophobicContact CG-CZ 4.43Å; Q12-F15 WeakPolarHBondContact O-CB 3.15Å; Q12-F15 PolarHBondContact O-N 3.02Å; F15-F61 AromaticContact CD2-CD1 3.89Å; F15-F61 HydrophobicContact CD2-CD1 3.89Å; F15-F61 AromaticContact CD2-CE1 3.44Å; F15-F61 HydrophobicContact CD2-CE1 3.44Å; F15-F61 VanDerWaalsContact CD2-CE1 3.44Å; F15-F61 AromaticContact CE2-CD1 3.99Å; F15-F61 HydrophobicContact CE2-CD1 3.99Å; F15-F61 AromaticContact CE2-CE1 3.79Å; F15-F61 HydrophobicContact CE2-CE1 3.79Å; F15-F61 HydrophobicContact CG-CE1 4.26Å; F15-R83 HydrophobicContact CB-CB 4Å; F15-R83 HydrophobicContact CD2-CB 4.23Å; F15-R83 PolarHBondContact O-NE 3.48Å; F15-R83 PolarHBondContact O-NH2 3.45Å; F15-V84 CarbonylContact C-O 3.47Å; F15-V84 WeakPolarHBondContact CA-O 3.39Å; F15-V84 WeakPolarHBondContact CB-O 3.49Å; F15-Q85 HydrophobicContact CD1-CB 4Å; F15-Q85 HydrophobicContact CD1-CG 4.03Å; F15-Q85 HydrophobicContact CD2-CB 4.14Å; F15-Q85 HydrophobicContact CE1-CB 3.6Å; F15-Q85 HydrophobicContact CE1-CG 3.43Å; F15-Q85 VanDerWaalsContact CE1-CG 3.43Å; F15-Q85 HydrophobicContact CE2-CB 3.76Å; F15-Q85 HydrophobicContact CE2-CG 4.47Å; F15-Q85 HydrophobicContact CG-CB 4.28Å; F15-Q85 HydrophobicContact CZ-CB 3.49Å; F15-Q85 VanDerWaalsContact CZ-CB 3.49Å; F15-Q85 HydrophobicContact CZ-CG 3.71Å
16I96.9Very high92.6Very high11 Ų1152.9 Ų52.96%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-65.8154.8179.266.5158.7000110.1I18 R83 V84 L86 R101I16-I18 HydrophobicContact CD1-CD1 4.24Å; I16-I18 HydrophobicContact CD1-CG1 4.28Å; I16-R83 VanDerWaalsContact O-CA 3.28Å; I16-R83 WeakPolarHBondContact O-CA 2.98Å; I16-V84 HydrophobicContact CD1-CB 4.07Å; I16-V84 HydrophobicContact CG1-CB 3.68Å; I16-V84 HydrophobicContact CG1-CG1 4.48Å; I16-V84 HydrophobicContact CG1-CG2 4.43Å; I16-V84 VanDerWaalsContact CG1-O 3.32Å; I16-V84 WeakPolarHBondContact CG1-O 3.36Å; I16-V84 PolarHBondContact N-O 3.35Å; I16-V84 PolarHBondContact O-N 2.95Å; I16-L86 HydrophobicContact CD1-CD1 3.98Å; I16-L86 HydrophobicContact CD1-CD2 4.09Å; I16-L86 HydrophobicContact CD1-CG 3.95Å; I16-L86 HydrophobicContact CG1-CD1 4.44Å; I16-L86 HydrophobicContact CG1-CG 4.17Å; I16-L86 HydrophobicContact CG2-CD1 3.74Å; I16-L86 HydrophobicContact CG2-CG 4.01Å; I16-R101 HydrophobicContact CB-CG 3.99Å; I16-R101 HydrophobicContact CD1-CB 4.1Å; I16-R101 HydrophobicContact CD1-CG 3.72Å; I16-R101 HydrophobicContact CG1-CG 4.44Å; I16-R101 HydrophobicContact CG2-CG 3.79Å
17C97.9Very high94.3Very high40 Ų4048.6 Ų48.627%0.2723%0.234SC..EExtended strand (participates in β ladder)trans-105.3132.8177.4-66.10000110.3Y19 R81C17-Y19 HydrophobicContact CB-CE2 4.42Å; C17-R81 HydrophobicContact CB-CG 4.16Å
18I98.2Very high95.1Very high1 Ų145.5 Ų45.51%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-122.5119.4169.5-55.6-179.3000107.6I16 I49 V82 V84 V104 M105I16-I18 HydrophobicContact CD1-CD1 4.24Å; I16-I18 HydrophobicContact CD1-CG1 4.28Å; I18-I49 HydrophobicContact CG2-CD1 4.32Å; I18-I49 HydrophobicContact CG2-CG2 4.04Å; I18-V82 HydrophobicContact CB-CB 4.46Å; I18-V82 PolarHBondContact N-O 3.38Å; I18-V82 PolarHBondContact O-N 2.9Å; I18-V84 HydrophobicContact CD1-CG2 3.9Å; I18-V84 HydrophobicContact CG1-CG2 4.44Å; I18-V104 HydrophobicContact CD1-CB 4.07Å; I18-V104 HydrophobicContact CD1-CG1 3.44Å; I18-V104 VanDerWaalsContact CD1-CG1 3.44Å; I18-M105 HydrophobicContact CD1-CG 4.4Å; I18-M105 HydrophobicContact CG2-CG 4.34Å
19Y98.3Very high95.6Very high26 Ų2650 Ų5010%0.10225%0.252CS..  trans-100.7148.4171.5-70-84.7000109.9C17 A21 Y22 Y68 R81C17-Y19 HydrophobicContact CB-CE2 4.42Å; Y19-A21 PolarHBondContact O-N 2.89Å; Y19-A21 VanDerWaalsContact O-N 3.15Å; Y19-Y22 HydrophobicContact CD2-CE1 4.14Å; Y19-Y22 AromaticContact CD2-CE2 4Å; Y19-Y22 HydrophobicContact CD2-CE2 4Å; Y19-Y22 AromaticContact CD2-CZ 3.58Å; Y19-Y22 WeakPolarHBondContact CD2-OH 3.37Å; Y19-Y22 WeakPolarHBondContact O-CB 3.27Å; Y19-Y22 PolarHBondContact O-N 2.79Å; Y19-Y68 HydrophobicContact CD1-CD2 4.33Å; Y19-Y68 HydrophobicContact CD1-CG 4.34Å; Y19-Y68 AromaticContact CD2-CD2 3.71Å; Y19-Y68 HydrophobicContact CD2-CD2 3.71Å; Y19-Y68 HydrophobicContact CD2-CE2 4.38Å; Y19-Y68 HydrophobicContact CD2-CG 4.38Å; Y19-Y68 HydrophobicContact CE1-CD2 4.48Å; Y19-Y68 AromaticContact CE2-CD2 3.87Å; Y19-Y68 HydrophobicContact CE2-CD2 3.87Å; Y19-Y68 AromaticContact CG-CD2 3.9Å; Y19-Y68 HydrophobicContact CG-CD2 3.9Å; Y19-Y68 HydrophobicContact CG-CG 4.11Å; Y19-R81 HydrophobicContact CD1-CB 4.07Å; Y19-R81 HydrophobicContact CD1-CG 4.23Å; Y19-R81 HydrophobicContact CE1-CB 3.78Å; Y19-R81 HydrophobicContact CE1-CG 3.9Å; Y19-R81 HydrophobicContact CE2-CG 4.33Å; Y19-R81 VanDerWaalsContact OH-CD 3.27Å; Y19-R81 WeakPolarHBondContact OH-CD 3.41Å; Y19-R81 PolarHBondContact OH-NH1 3.13Å
20P97.8Very high96.2Very high7 Ų751.8 Ų51.85%0.04527%0.27CS..G310 helixtrans-52.1-37.9176-29.436.5000114.2Y22 L23 N24 P44 A46 I49 G80P20-Y22 PolarHBondContact O-N 3.17Å; P20-L23 PolarHBondContact O-N 3.49Å; P20-N24 PolarHBondContact O-N 2.93Å; P20-P44 HydrophobicContact CB-CG 4.38Å; P20-P44 WeakPolarHBondContact CB-O 3.46Å; P20-P44 VanDerWaalsContact O-CG 3.26Å; P20-P44 WeakPolarHBondContact O-CG 3.42Å; P20-A46 HydrophobicContact CG-CB 3.93Å; P20-I49 HydrophobicContact CB-CD1 4.46Å; P20-I49 HydrophobicContact CG-CD1 4.37Å; P20-G80 VanDerWaalsContact CD-O 3.3Å; P20-G80 WeakPolarHBondContact CD-O 3.11Å
21A98Very high96.6Very high3 Ų353.8 Ų53.83%0.02527%0.273CS..G310 helixtrans-55.5-25.2178.100000114.1Y19 L23 K27 R33 Y68Y19-A21 PolarHBondContact O-N 2.89Å; Y19-A21 VanDerWaalsContact O-N 3.15Å; A21-L23 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 2.89Å; A21-K27 HydrophobicContact CB-CD 3.68Å; A21-R33 WeakPolarHBondContact O-CA 3.46Å; A21-Y68 HydrophobicContact CB-CD1 3.66Å; A21-Y68 HydrophobicContact CB-CE1 4.05Å; A21-Y68 HydrophobicContact CB-CG 4.46Å
22Y98.4Very high96.8Very high37 Ų3750.7 Ų50.715%0.14526%0.257CS..G310 helixtrans-69.5-30.9-178.8-63.1-6.7000112.5Y19 P20 G32 R34 Y68 M105Y19-Y22 HydrophobicContact CD2-CE1 4.14Å; Y19-Y22 AromaticContact CD2-CE2 4Å; Y19-Y22 HydrophobicContact CD2-CE2 4Å; Y19-Y22 AromaticContact CD2-CZ 3.58Å; Y19-Y22 WeakPolarHBondContact CD2-OH 3.37Å; Y19-Y22 WeakPolarHBondContact O-CB 3.27Å; Y19-Y22 PolarHBondContact O-N 2.79Å; P20-Y22 PolarHBondContact O-N 3.17Å; Y22-G32 VanDerWaalsContact CD1-O 3.23Å; Y22-G32 WeakPolarHBondContact CD1-O 3.38Å; Y22-R34 HydrophobicContact CD1-CG 3.85Å; Y22-R34 HydrophobicContact CD2-CG 4.28Å; Y22-R34 HydrophobicContact CE1-CG 4.4Å; Y22-R34 HydrophobicContact CG-CB 4.46Å; Y22-R34 HydrophobicContact CG-CG 3.78Å; Y22-R34 PolarHBondContact O-N 2.91Å; Y22-Y68 HydrophobicContact CE1-CD2 4.27Å; Y22-Y68 HydrophobicContact CE1-CE1 4.38Å; Y22-Y68 AromaticContact CE1-CE2 3.78Å; Y22-Y68 HydrophobicContact CE1-CE2 3.78Å; Y22-Y68 AromaticContact CE1-CZ 3.83Å; Y22-M105 HydrophobicContact CD2-SD 3.83Å; Y22-M105 HydrophobicContact CG-SD 4.21Å
23L98.3Very high97.1Very high0 Ų046.2 Ų46.20%024%0.235CC..THydrogen-bonded Turntrans-102.6-7.6-175.6-49.6-175.5000112.9P20 A21 N25 I35 A40 V41 P44 I49 M105 A108 A109 I112P20-L23 PolarHBondContact O-N 3.49Å; A21-L23 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 2.89Å; L23-N25 PolarHBondContact O-N 3.06Å; L23-I35 HydrophobicContact CB-CD1 4.36Å; L23-I35 HydrophobicContact CD2-CD1 3.82Å; L23-I35 HydrophobicContact CD2-CG1 4.43Å; L23-A40 WeakPolarHBondContact O-CA 3.26Å; L23-A40 WeakPolarHBondContact O-CB 3.24Å; L23-V41 HydrophobicContact CB-CG2 4.1Å; L23-V41 PolarHBondContact O-N 3.14Å; L23-P44 HydrophobicContact CB-CB 4.4Å; L23-P44 HydrophobicContact CB-CG 3.97Å; L23-I49 HydrophobicContact CD1-CD1 3.81Å; L23-I49 HydrophobicContact CD1-CG1 3.84Å; L23-M105 HydrophobicContact CD2-CB 3.52Å; L23-M105 HydrophobicContact CD2-CG 3.82Å; L23-M105 VanDerWaalsContact CD2-O 3.27Å; L23-M105 WeakPolarHBondContact CD2-O 3.38Å; L23-M105 HydrophobicContact CD2-SD 4.44Å; L23-A108 HydrophobicContact CD1-CB 3.87Å; L23-A109 HydrophobicContact CD2-CB 4.44Å; L23-I112 HydrophobicContact CD1-CD1 4.14Å
24N97.6Very high97.4Very high4 Ų445.2 Ų45.22%0.02122%0.223CC..BIsolated β-bridgetrans-77.3121.1-172.7-165.7-23.3000111.8P20 K26 K27 R33 V41 N43 P44P20-N24 PolarHBondContact O-N 2.93Å; N24-K26 VanDerWaalsContact C-N 3.29Å; N24-K26 PolarHBondContact O-N 3.38Å; N24-K26 WeakPolarHBondContact OD1-CB 3.26Å; N24-K26 PolarHBondContact OD1-N 2.86Å; N24-K27 HydrophobicContact CB-CB 4.47Å; N24-K27 HydrophobicContact CB-CD 4.34Å; N24-K27 HydrophobicContact CB-CG 4.25Å; N24-K27 PolarHBondContact O-N 2.9Å; N24-R33 WeakPolarHBondContact O-CD 3.18Å; N24-V41 CarbonylContact C-O 3.56Å; N24-V41 VanDerWaalsContact CA-O 3.32Å; N24-V41 WeakPolarHBondContact CA-O 3.37Å; N24-N43 PolarHBondContact ND2-OD1 3.44Å; N24-P44 HydrophobicContact CB-CG 4.06Å
25N97.6Very high97.6Very high53 Ų5338 Ų3828%0.28320%0.195SC..THydrogen-bonded Turntrans-71.6-19.4178.468.63000113.8L23 K27 I37 A40 V41 E42L23-N25 PolarHBondContact O-N 3.06Å; N25-K27 VanDerWaalsContact C-N 3.28Å; N25-K27 PolarHBondContact O-N 3.43Å; N25-I37 HydrophobicContact CB-CG2 4.5Å; N25-A40 HydrophobicContact CB-CB 3.59Å; N25-V41 PolarHBondContact N-O 3.48Å; N25-E42 PolarHBondContact ND2-N 3.13Å; N25-E42 VanDerWaalsContact OD1-CA 3.27Å; N25-E42 WeakPolarHBondContact OD1-CA 3.37Å
26K96.7Very high97.7Very high124 Ų12440.5 Ų40.554%0.53921%0.213SC..THydrogen-bonded Turntrans-81.1-4.4175.7-64.2-171.7172.7172.40113.6N24 E42N24-K26 VanDerWaalsContact C-N 3.29Å; N24-K26 PolarHBondContact O-N 3.38Å; N24-K26 WeakPolarHBondContact OD1-CB 3.26Å; N24-K26 PolarHBondContact OD1-N 2.86Å; K26-E42 HydrophobicContact CD-CG 4.43Å; K26-E42 WeakPolarHBondContact CE-OE1 3.45Å; K26-E42 IonicContact NZ-OE1 2.61Å; K26-E42 PolarHBondContact NZ-OE1 2.99Å
27K96.8Very high97.7Very high18 Ų1844.8 Ų44.88%0.07824%0.235CC..SBendtrans-105.1141178.1-69.2-172.2-174.9-74.70111.7A21 N24 N25 E31 R33 E71A21-K27 HydrophobicContact CB-CD 3.68Å; N24-K27 HydrophobicContact CB-CB 4.47Å; N24-K27 HydrophobicContact CB-CD 4.34Å; N24-K27 HydrophobicContact CB-CG 4.25Å; N24-K27 PolarHBondContact O-N 2.9Å; N25-K27 VanDerWaalsContact C-N 3.28Å; N25-K27 PolarHBondContact O-N 3.43Å; K27-E31 HydrophobicContact CB-CB 4.02Å; K27-E31 HydrophobicContact CD-CB 4.41Å; K27-E31 HydrophobicContact CG-CB 4.3Å; K27-R33 WeakPolarHBondContact O-CB 3.1Å; K27-R33 WeakPolarHBondContact O-CD 3.36Å; K27-R33 PolarHBondContact O-NE 3.26Å; K27-E71 WeakPolarHBondContact CE-OE2 3.4Å; K27-E71 IonicContact NZ-OE1 2.97Å; K27-E71 PolarHBondContact NZ-OE1 3.26Å; K27-E71 IonicContact NZ-OE2 2.74Å; K27-E71 PolarHBondContact NZ-OE2 2.78Å
28T97.7Very high97.7Very high71 Ų7148.2 Ų48.244%0.43626%0.259SS..  trans-73.6170.3169.564.20000111.5A30 E31 G32 R33T28-A30 VanDerWaalsContact C-N 3.27Å; T28-A30 PolarHBondContact O-N 3.46Å; T28-E31 WeakPolarHBondContact CB-OE2 3.43Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.26Å; T28-E31 PolarHBondContact N-OE2 3.11Å; T28-E31 PolarHBondContact O-N 3.31Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.42Å; T28-E31 PolarHBondContact OG1-N 2.81Å; T28-E31 PolarHBondContact OG1-OE2 3.08Å; T28-G32 PolarHBondContact O-N 3.48Å; T28-R33 WeakPolarHBondContact O-CB 3.43Å; T28-R33 PolarHBondContact O-N 2.76Å
29I97.4Very high97.7Very high114 Ų11454 Ų5459%0.58528%0.284SS*.THydrogen-bonded Turntrans-62.3-39.4174.5-62.5174.4000110.5E31 G32I29-E31 VanDerWaalsContact C-N 3.34Å; I29-E31 PolarHBondContact O-N 3.08Å; I29-G32 PolarHBondContact O-N 2.78Å
30A97.6Very high97.7Very high77 Ų7753.4 Ų53.464%0.63628%0.284SS*.THydrogen-bonded Turntrans-61-42.7176.600000111.4T28 G32 R70T28-A30 VanDerWaalsContact C-N 3.27Å; T28-A30 PolarHBondContact O-N 3.46Å; A30-G32 PolarHBondContact O-N 3.16Å; A30-R70 VanDerWaalsContact O-CD 3.23Å; A30-R70 WeakPolarHBondContact O-CD 3.32Å; A30-R70 PolarHBondContact O-NH1 3.06Å
31E97.2Very high97.7Very high75 Ų7553.5 Ų53.535%0.3529%0.285SS..THydrogen-bonded Turntrans-74.1-10.6178.2-69.3167.6124.500114.2K27 T28 I29 Y68K27-E31 HydrophobicContact CB-CB 4.02Å; K27-E31 HydrophobicContact CD-CB 4.41Å; K27-E31 HydrophobicContact CG-CB 4.3Å; T28-E31 WeakPolarHBondContact CB-OE2 3.43Å; T28-E31 WeakPolarHBondContact CG2-OE2 3.26Å; T28-E31 PolarHBondContact N-OE2 3.11Å; T28-E31 PolarHBondContact O-N 3.31Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.42Å; T28-E31 PolarHBondContact OG1-N 2.81Å; T28-E31 PolarHBondContact OG1-OE2 3.08Å; I29-E31 VanDerWaalsContact C-N 3.34Å; I29-E31 PolarHBondContact O-N 3.08Å; E31-Y68 WeakPolarHBondContact O-CE1 3.43Å
32G97.5Very high97.6Very high0 Ų058 Ų580%031%0.306CS..THydrogen-bonded Turntrans129-4.317000000116.3Y22 T28 I29 A30 R34Y22-G32 VanDerWaalsContact CD1-O 3.23Å; Y22-G32 WeakPolarHBondContact CD1-O 3.38Å; T28-G32 PolarHBondContact O-N 3.48Å; I29-G32 PolarHBondContact O-N 2.78Å; A30-G32 PolarHBondContact O-N 3.16Å; G32-R34 VanDerWaalsContact C-NH1 3.26Å; G32-R34 PolarHBondContact O-N 3.14Å; G32-R34 PolarHBondContact O-NH1 2.81Å
33R98.2Very high97.4Very high30 Ų3058.4 Ų58.411%0.11331%0.31CS..  trans-58140.1178.6-176.8171.249.876.5-1.7111A21 N24 K27 T28 I35 I37A21-R33 WeakPolarHBondContact O-CA 3.46Å; N24-R33 WeakPolarHBondContact O-CD 3.18Å; K27-R33 WeakPolarHBondContact O-CB 3.1Å; K27-R33 WeakPolarHBondContact O-CD 3.36Å; K27-R33 PolarHBondContact O-NE 3.26Å; T28-R33 WeakPolarHBondContact O-CB 3.43Å; T28-R33 PolarHBondContact O-N 2.76Å; R33-I35 WeakPolarHBondContact CD-O 3.4Å; R33-I35 VanDerWaalsContact CG-O 3.26Å; R33-I35 WeakPolarHBondContact CG-O 3.45Å; R33-I35 PolarHBondContact NH1-O 3.33Å; R33-I37 VanDerWaalsContact CZ-CG1 3.43Å
34R98.1Very high97.4Very high94 Ų9458.6 Ų58.636%0.35531%0.312SS..  trans-121.7-10.7-178.2-63.6-63177.3-100.11.1114.2Y22 G32 Y68 M105Y22-R34 HydrophobicContact CD1-CG 3.85Å; Y22-R34 HydrophobicContact CD2-CG 4.28Å; Y22-R34 HydrophobicContact CE1-CG 4.4Å; Y22-R34 HydrophobicContact CG-CB 4.46Å; Y22-R34 HydrophobicContact CG-CG 3.78Å; Y22-R34 PolarHBondContact O-N 2.91Å; G32-R34 VanDerWaalsContact C-NH1 3.26Å; G32-R34 PolarHBondContact O-N 3.14Å; G32-R34 PolarHBondContact O-NH1 2.81Å; R34-Y68 PolarHBondContact NH2-OH 3.1Å; R34-M105 HydrophobicContact CB-CE 3.89Å; R34-M105 HydrophobicContact CB-SD 3.85Å; R34-M105 HydrophobicContact CG-SD 4.38Å
35I97.9Very high97.4Very high3 Ų360.3 Ų60.32%0.01532%0.322CS..SBendtrans-117.6158.5177.861.1171.5000111.4L23 R33 A40 M105 L106 A109L23-I35 HydrophobicContact CB-CD1 4.36Å; L23-I35 HydrophobicContact CD2-CD1 3.82Å; L23-I35 HydrophobicContact CD2-CG1 4.43Å; R33-I35 WeakPolarHBondContact CD-O 3.4Å; R33-I35 VanDerWaalsContact CG-O 3.26Å; R33-I35 WeakPolarHBondContact CG-O 3.45Å; R33-I35 PolarHBondContact NH1-O 3.33Å; I35-A40 HydrophobicContact CD1-CB 4.08Å; I35-A40 HydrophobicContact CG1-CB 4.06Å; I35-M105 HydrophobicContact CG2-CB 4.01Å; I35-L106 HydrophobicContact CB-CD2 4.09Å; I35-L106 HydrophobicContact CG2-CD2 3.84Å; I35-L106 HydrophobicContact CG2-CG 4.25Å; I35-A109 HydrophobicContact CD1-CB 3.54Å
36P97.9Very high97.4Very high62 Ų6258 Ų5840%0.40331%0.31SS..  trans-58.8147.2175.1-22.734.3000111.8S38 K39 A40P36-S38 PolarHBondContact O-N 3.1Å; P36-K39 PolarHBondContact O-N 3.25Å; P36-A40 PolarHBondContact O-N 3.3Å; P36-A40 VanDerWaalsContact O-N 3.12Å
37I97.7Very high97.4Very high101 Ų10155.5 Ų55.552%0.51831%0.306SS..G310 helixtrans-57.6-39.4-178.9-62.2176.2000111.1N25 R33 K39 A40N25-I37 HydrophobicContact CB-CG2 4.5Å; R33-I37 VanDerWaalsContact CZ-CG1 3.43Å; I37-K39 PolarHBondContact O-N 3.45Å; I37-K39 VanDerWaalsContact O-N 3.1Å; I37-A40 PolarHBondContact O-N 2.92Å
38S97.5Very high97.4Very high112 Ų11255.7 Ų55.778%0.78331%0.307SS*.G310 helixtrans-61-19.417954.30000114.8P36P36-S38 PolarHBondContact O-N 3.1Å
39K97.7Very high97.4Very high123 Ų12352.3 Ų52.354%0.53529%0.286SS..G310 helixtrans-111.4-3.8176.9-58.5-170.4-179.8-171.50112.5P36 I37 L106 A109P36-K39 PolarHBondContact O-N 3.25Å; I37-K39 PolarHBondContact O-N 3.45Å; I37-K39 VanDerWaalsContact O-N 3.1Å; K39-L106 HydrophobicContact CB-CD2 4.14Å; K39-L106 HydrophobicContact CD-CD2 3.66Å; K39-A109 WeakPolarHBondContact O-CB 2.9Å
40A97.8Very high97.4Very high13 Ų1349.4 Ų49.411%0.10727%0.27CS..  trans-83.2155.5-177.400000110.6L23 N25 I35 P36 I37L23-A40 WeakPolarHBondContact O-CA 3.26Å; L23-A40 WeakPolarHBondContact O-CB 3.24Å; N25-A40 HydrophobicContact CB-CB 3.59Å; I35-A40 HydrophobicContact CD1-CB 4.08Å; I35-A40 HydrophobicContact CG1-CB 4.06Å; P36-A40 PolarHBondContact O-N 3.3Å; P36-A40 VanDerWaalsContact O-N 3.12Å; I37-A40 PolarHBondContact O-N 2.92Å
41V97.4Very high97.4Very high9 Ų949.3 Ų49.36%0.05526%0.259CS..BIsolated β-bridgetrans-110.9150.6-176.5-66.70000110.8L23 N24 N25 N43 P44 A109 I112 P113L23-V41 HydrophobicContact CB-CG2 4.1Å; L23-V41 PolarHBondContact O-N 3.14Å; N24-V41 CarbonylContact C-O 3.56Å; N24-V41 VanDerWaalsContact CA-O 3.32Å; N24-V41 WeakPolarHBondContact CA-O 3.37Å; N25-V41 PolarHBondContact N-O 3.48Å; V41-N43 PolarHBondContact O-N 3.07Å; V41-P44 HydrophobicContact CG2-CB 3.63Å; V41-P44 HydrophobicContact CG2-CG 3.83Å; V41-A109 HydrophobicContact CG1-CB 4.14Å; V41-A109 WeakPolarHBondContact CG1-O 3.23Å; V41-I112 HydrophobicContact CG1-CB 4.46Å; V41-I112 HydrophobicContact CG2-CD1 4.29Å; V41-I112 HydrophobicContact CG2-CG2 4.38Å; V41-P113 HydrophobicContact CG1-CG 3.68Å
42E96.2Very high97.4Very high98 Ų9846 Ų4646%0.45824%0.244SC..SBendtrans-74.7126175.5179.7169.6179.400110.7N25 K26 R118N25-E42 PolarHBondContact ND2-N 3.13Å; N25-E42 VanDerWaalsContact OD1-CA 3.27Å; N25-E42 WeakPolarHBondContact OD1-CA 3.37Å; K26-E42 HydrophobicContact CD-CG 4.43Å; K26-E42 WeakPolarHBondContact CE-OE1 3.45Å; K26-E42 IonicContact NZ-OE1 2.61Å; K26-E42 PolarHBondContact NZ-OE1 2.99Å; E42-R118 PolarHBondContact O-NH1 3.36Å; E42-R118 PolarHBondContact O-NH2 3.44Å
43N95.5Very high97.4Very high46 Ų4646 Ų4625%0.24624%0.244CC..SBendtrans43.558.1173.3-65.8-32.9000114N24 V41 R118N24-N43 PolarHBondContact ND2-OD1 3.44Å; V41-N43 PolarHBondContact O-N 3.07Å; N43-R118 PolarHBondContact O-NH2 2.85Å
44P97.2Very high97.4Very high4 Ų447.9 Ų47.93%0.02626%0.261CS..  trans-61.7145.417227.1-31.9000109.9P20 L23 N24 V41 I49 I112P20-P44 HydrophobicContact CB-CG 4.38Å; P20-P44 WeakPolarHBondContact CB-O 3.46Å; P20-P44 VanDerWaalsContact O-CG 3.26Å; P20-P44 WeakPolarHBondContact O-CG 3.42Å; L23-P44 HydrophobicContact CB-CB 4.4Å; L23-P44 HydrophobicContact CB-CG 3.97Å; N24-P44 HydrophobicContact CB-CG 4.06Å; V41-P44 HydrophobicContact CG2-CB 3.63Å; V41-P44 HydrophobicContact CG2-CG 3.83Å; P44-I49 HydrophobicContact CB-CD1 4.49Å; P44-I112 HydrophobicContact CB-CD1 4.14Å
45T96.9Very high97.3Very high40 Ų4047.6 Ų47.625%0.24528%0.279CS..  trans-106155.5170.665.70000110.6T47 E48 I49T45-T47 PolarHBondContact O-N 3.36Å; T45-E48 PolarHBondContact N-OE2 3.32Å; T45-E48 PolarHBondContact O-N 3.13Å; T45-E48 WeakPolarHBondContact OG1-CB 3.41Å; T45-E48 VanDerWaalsContact OG1-CD 3.26Å; T45-E48 WeakPolarHBondContact OG1-CG 3.49Å; T45-E48 PolarHBondContact OG1-N 3.25Å; T45-E48 PolarHBondContact OG1-OE2 3.19Å; T45-I49 WeakPolarHBondContact O-CG1 3.41Å; T45-I49 PolarHBondContact O-N 3.32Å; T45-I49 VanDerWaalsContact O-N 3.15Å
46A97.7Very high97.2Very high4 Ų449 Ų493%0.03329%0.287CS..Hα-helixtrans-64.3-30.1177.300000112.2P20 I49 Q50 L62 V82P20-A46 HydrophobicContact CG-CB 3.93Å; A46-I49 PolarHBondContact O-N 3.33Å; A46-Q50 PolarHBondContact O-N 2.99Å; A46-L62 HydrophobicContact CB-CD1 3.52Å; A46-V82 HydrophobicContact CB-CG2 4.26Å; A46-V82 WeakPolarHBondContact O-CG2 3.35Å
47T97.2Very high97.2Very high72 Ų7248.6 Ų48.644%0.44230%0.295SS..Hα-helixtrans-64.7-49.4174.1-58.10000111.5T45 I49 Q50 D51T45-T47 PolarHBondContact O-N 3.36Å; T47-I49 VanDerWaalsContact C-N 3.26Å; T47-I49 PolarHBondContact O-N 3.04Å; T47-Q50 WeakPolarHBondContact O-CA 3.15Å; T47-Q50 WeakPolarHBondContact O-CB 3.48Å; T47-Q50 PolarHBondContact O-N 3.29Å; T47-D51 VanDerWaalsContact O-CG 3.22Å; T47-D51 PolarHBondContact O-N 3.47Å
48E97.3Very high97.1Very high22 Ų2244.1 Ų44.110%0.10327%0.272CS..Hα-helixtrans-60.5-38.2177.4-69.3165.1140.700111.9T45 Q50 D51 V52 I112 L115 R118T45-E48 PolarHBondContact N-OE2 3.32Å; T45-E48 PolarHBondContact O-N 3.13Å; T45-E48 WeakPolarHBondContact OG1-CB 3.41Å; T45-E48 VanDerWaalsContact OG1-CD 3.26Å; T45-E48 WeakPolarHBondContact OG1-CG 3.49Å; T45-E48 PolarHBondContact OG1-N 3.25Å; T45-E48 PolarHBondContact OG1-OE2 3.19Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; E48-D51 PolarHBondContact O-N 3.15Å; E48-V52 WeakPolarHBondContact O-CG1 3.36Å; E48-V52 WeakPolarHBondContact O-CG2 3.34Å; E48-V52 PolarHBondContact O-N 3.08Å; E48-I112 HydrophobicContact CB-CD1 4.48Å; E48-I112 HydrophobicContact CB-CG1 4.14Å; E48-L115 HydrophobicContact CB-CD1 3.74Å; E48-L115 HydrophobicContact CG-CD1 3.75Å; E48-R118 IonicContact OE1-CZ 3.97Å; E48-R118 IonicContact OE1-NE 2.84Å; E48-R118 PolarHBondContact OE1-NE 3.48Å; E48-R118 IonicContact OE1-NH2 3.02Å; E48-R118 PolarHBondContact OE1-NH2 3.2Å; E48-R118 IonicContact OE2-CZ 2.9Å; E48-R118 IonicContact OE2-NE 2.65Å; E48-R118 IonicContact OE2-NH2 2.64Å; E48-R118 PolarHBondContact OE2-NH2 3.3Å
49I98Very high97Very high0 Ų042.9 Ų42.90%026%0.257CS..Hα-helixtrans-62.6-43.3175.1-64.1166.1000110.5I18 P20 L23 P44 T45 A46 T47 V52 C53 V82 I112I18-I49 HydrophobicContact CG2-CD1 4.32Å; I18-I49 HydrophobicContact CG2-CG2 4.04Å; P20-I49 HydrophobicContact CB-CD1 4.46Å; P20-I49 HydrophobicContact CG-CD1 4.37Å; L23-I49 HydrophobicContact CD1-CD1 3.81Å; L23-I49 HydrophobicContact CD1-CG1 3.84Å; P44-I49 HydrophobicContact CB-CD1 4.49Å; T45-I49 WeakPolarHBondContact O-CG1 3.41Å; T45-I49 PolarHBondContact O-N 3.32Å; T45-I49 VanDerWaalsContact O-N 3.15Å; A46-I49 PolarHBondContact O-N 3.33Å; T47-I49 VanDerWaalsContact C-N 3.26Å; T47-I49 PolarHBondContact O-N 3.04Å; I49-V52 WeakPolarHBondContact O-CG2 3.49Å; I49-C53 WeakPolarHBondContact O-CB 3.36Å; I49-C53 PolarHBondContact O-N 2.95Å; I49-C53 VanDerWaalsContact O-N 3.13Å; I49-C53 PolarHBondContact O-SG 3.04Å; I49-V82 HydrophobicContact CB-CG2 3.89Å; I49-V82 HydrophobicContact CG2-CB 4.05Å; I49-V82 HydrophobicContact CG2-CG1 4.3Å; I49-V82 HydrophobicContact CG2-CG2 3.73Å; I49-I112 HydrophobicContact CG1-CD1 3.82Å
50Q97.9Very high97Very high52 Ų5238 Ų3824%0.24324%0.237CC..Hα-helixtrans-61.2-48.5175.9-177.9-165.1-3.800110.6A46 T47 E48 V52 C53 S54 V60 L62 V82A46-Q50 PolarHBondContact O-N 2.99Å; T47-Q50 WeakPolarHBondContact O-CA 3.15Å; T47-Q50 WeakPolarHBondContact O-CB 3.48Å; T47-Q50 PolarHBondContact O-N 3.29Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; Q50-V52 PolarHBondContact O-N 3.28Å; Q50-C53 PolarHBondContact O-N 2.93Å; Q50-S54 VanDerWaalsContact O-CB 3.27Å; Q50-S54 WeakPolarHBondContact O-CB 3.5Å; Q50-S54 PolarHBondContact O-N 2.87Å; Q50-V60 HydrophobicContact CG-CG2 3.97Å; Q50-L62 HydrophobicContact CG-CB 4.42Å; Q50-L62 VanDerWaalsContact OE1-CB 3.24Å; Q50-V82 HydrophobicContact CB-CG2 4.36Å
51D97.1Very high97Very high76 Ų7639.7 Ų39.741%0.40624%0.242SC..Hα-helixtrans-60.1-47.5-175.2-64.7-20.3000111.3T47 E48 S54 A55T47-D51 VanDerWaalsContact O-CG 3.22Å; T47-D51 PolarHBondContact O-N 3.47Å; E48-D51 PolarHBondContact O-N 3.15Å; D51-S54 PolarHBondContact O-N 3.15Å; D51-A55 VanDerWaalsContact O-CB 3.24Å; D51-A55 WeakPolarHBondContact O-CB 3.16Å; D51-A55 PolarHBondContact O-N 3.42Å
52V97.6Very high97Very high6 Ų640.6 Ų40.64%0.03625%0.246CC..Hα-helixtrans-68.5-35.9178.8-59.60000112.6E48 I49 Q50 V56 A108 M111 I112 L115E48-V52 WeakPolarHBondContact O-CG1 3.36Å; E48-V52 WeakPolarHBondContact O-CG2 3.34Å; E48-V52 PolarHBondContact O-N 3.08Å; I49-V52 WeakPolarHBondContact O-CG2 3.49Å; Q50-V52 PolarHBondContact O-N 3.28Å; V52-V56 PolarHBondContact O-N 2.8Å; V52-A108 HydrophobicContact CG2-CB 3.78Å; V52-M111 HydrophobicContact CB-CB 3.94Å; V52-M111 HydrophobicContact CG1-CB 3.79Å; V52-I112 HydrophobicContact CG1-CG1 4.14Å; V52-I112 HydrophobicContact CG2-CG1 4.26Å; V52-L115 HydrophobicContact CG1-CD1 4Å; V52-L115 HydrophobicContact CG1-CD2 3.85Å; V52-L115 HydrophobicContact CG1-CG 4.01Å
53C97.5Very high97Very high0 Ų037.7 Ų37.70%023%0.233CC..Hα-helixtrans-72.1-38.8177.1-63.80000111.8I49 Q50 V56 L58 V60I49-C53 WeakPolarHBondContact O-CB 3.36Å; I49-C53 PolarHBondContact O-N 2.95Å; I49-C53 VanDerWaalsContact O-N 3.13Å; I49-C53 PolarHBondContact O-SG 3.04Å; Q50-C53 PolarHBondContact O-N 2.93Å; C53-V56 WeakPolarHBondContact O-CG1 3.38Å; C53-V56 PolarHBondContact O-N 3.2Å; C53-L58 HydrophobicContact CB-CB 4.44Å; C53-L58 HydrophobicContact CB-CD1 4.17Å; C53-L58 WeakPolarHBondContact O-CB 3.27Å; C53-L58 PolarHBondContact O-N 2.86Å; C53-L58 VanDerWaalsContact O-N 3.13Å; C53-V60 HydrophobicContact CB-CG1 3.65Å; C53-V60 HydrophobicContact CB-CG2 4.28Å
54S97.1Very high97Very high68 Ų6842.7 Ų42.748%0.47625%0.252SS..Hα-helixtrans-68-38.5177-168.10000111.1Q50 D51 V56 G57Q50-S54 VanDerWaalsContact O-CB 3.27Å; Q50-S54 WeakPolarHBondContact O-CB 3.5Å; Q50-S54 PolarHBondContact O-N 2.87Å; D51-S54 PolarHBondContact O-N 3.15Å; S54-V56 PolarHBondContact O-N 3.13Å; S54-G57 PolarHBondContact O-N 2.91Å
55A96.7Very high96.9Very high88 Ų8849.1 Ų49.173%0.72729%0.287SS*.Hα-helixtrans-63.2-28.4-18000000113.4D51 G57D51-A55 VanDerWaalsContact O-CB 3.24Å; D51-A55 WeakPolarHBondContact O-CB 3.16Å; D51-A55 PolarHBondContact O-N 3.42Å; A55-G57 VanDerWaalsContact C-N 3.32Å
56V96.3Very high96.9Very high32 Ų3252.3 Ų52.319%0.19430%0.297CS..THydrogen-bonded Turntrans-87.5-1.2176.172.40000113.3V52 C53 S54 L58 Q97 F98 Y107V52-V56 PolarHBondContact O-N 2.8Å; C53-V56 WeakPolarHBondContact O-CG1 3.38Å; C53-V56 PolarHBondContact O-N 3.2Å; S54-V56 PolarHBondContact O-N 3.13Å; V56-L58 HydrophobicContact CG1-CD1 4.07Å; V56-L58 HydrophobicContact CG1-CG 4.09Å; V56-Q97 VanDerWaalsContact CG2-NE2 3.26Å; V56-F98 HydrophobicContact CB-CE2 4.4Å; V56-F98 HydrophobicContact CG1-CE2 3.6Å; V56-F98 HydrophobicContact CG1-CZ 3.83Å; V56-F98 HydrophobicContact CG2-CE2 3.88Å; V56-F98 HydrophobicContact CG2-CZ 3.96Å; V56-Y107 HydrophobicContact CB-CE1 3.76Å; V56-Y107 WeakPolarHBondContact CB-OH 3.14Å; V56-Y107 HydrophobicContact CG1-CD1 4.33Å; V56-Y107 HydrophobicContact CG1-CE1 3.64Å; V56-Y107 HydrophobicContact CG2-CE1 4.1Å; V56-Y107 HydrophobicContact CG2-CE2 4.35Å; V56-Y107 WeakPolarHBondContact CG2-OH 3.46Å
57G96Very high96.8Very high55 Ų5554.7 Ų54.757%0.56731%0.308SS*.THydrogen-bonded Turntrans87.116.6178.200000115S54 A55S54-G57 PolarHBondContact O-N 2.91Å; A55-G57 VanDerWaalsContact C-N 3.32Å
58L96.2Very high96.8Very high7 Ų752.3 Ų52.34%0.03729%0.291CS..  trans-73.3137.9168.4-74.2166.5000110.1C53 V56 V60 V84 L95 F98 V104C53-L58 HydrophobicContact CB-CB 4.44Å; C53-L58 HydrophobicContact CB-CD1 4.17Å; C53-L58 WeakPolarHBondContact O-CB 3.27Å; C53-L58 PolarHBondContact O-N 2.86Å; C53-L58 VanDerWaalsContact O-N 3.13Å; V56-L58 HydrophobicContact CG1-CD1 4.07Å; V56-L58 HydrophobicContact CG1-CG 4.09Å; L58-V60 HydrophobicContact CB-CG1 3.84Å; L58-V60 PolarHBondContact O-N 3.11Å; L58-V84 HydrophobicContact CB-CG1 4.21Å; L58-V84 HydrophobicContact CD1-CG1 3.97Å; L58-V84 HydrophobicContact CD2-CG1 4.16Å; L58-V84 HydrophobicContact CG-CG1 4.36Å; L58-L95 HydrophobicContact CD2-CD1 3.92Å; L58-L95 HydrophobicContact CD2-CG 4.49Å; L58-L95 HydrophobicContact CG-CD1 4.04Å; L58-F98 HydrophobicContact CD1-CD2 3.65Å; L58-F98 HydrophobicContact CD1-CE2 3.65Å; L58-F98 HydrophobicContact CD1-CG 4.22Å; L58-F98 HydrophobicContact CD1-CZ 4.26Å; L58-F98 HydrophobicContact CD2-CB 4.44Å; L58-F98 HydrophobicContact CD2-CD2 3.59Å; L58-F98 HydrophobicContact CD2-CE2 4.23Å; L58-F98 HydrophobicContact CD2-CG 4.32Å; L58-F98 HydrophobicContact CG-CD2 3.7Å; L58-F98 HydrophobicContact CG-CE2 3.81Å; L58-V104 HydrophobicContact CD1-CG1 4.03Å; L58-V104 HydrophobicContact CD1-CG2 4.15Å
59N96.2Very high96.8Very high86 Ų8656.9 Ų56.946%0.4633%0.326SS..  trans-71.6110169-175.910.5000109.5Q85N59-Q85 HydrophobicContact CB-CB 3.92Å; N59-Q85 PolarHBondContact ND2-OE1 3.39Å; N59-Q85 PolarHBondContact O-N 3.04Å
60V97.6Very high96.7Very high19 Ų1963 Ų6312%0.11535%0.349CS..EExtended strand (participates in β ladder)trans-136.4148.7-175.1-57.60000112.4Q50 C53 L58 V82 R83 V84Q50-V60 HydrophobicContact CG-CG2 3.97Å; C53-V60 HydrophobicContact CB-CG1 3.65Å; C53-V60 HydrophobicContact CB-CG2 4.28Å; L58-V60 HydrophobicContact CB-CG1 3.84Å; L58-V60 PolarHBondContact O-N 3.11Å; V60-V82 HydrophobicContact CB-CG1 4.27Å; V60-R83 WeakPolarHBondContact CA-O 3.18Å; V60-R83 WeakPolarHBondContact CB-O 3.39Å; V60-V84 HydrophobicContact CG1-CB 4.03Å; V60-V84 HydrophobicContact CG1-CG1 3.86Å; V60-V84 HydrophobicContact CG1-CG2 3.66Å
61F97Very high96.6Very high49 Ų4961.2 Ų61.222%0.21534%0.341CS..EExtended strand (participates in β ladder)trans-140.9153.9168.566.1-90.7000111.5Q12 F15 E63 R83Q12-F61 HydrophobicContact CB-CE1 3.84Å; Q12-F61 HydrophobicContact CB-CZ 3.91Å; Q12-F61 HydrophobicContact CG-CE1 3.84Å; Q12-F61 HydrophobicContact CG-CZ 4.31Å; F15-F61 AromaticContact CD2-CD1 3.89Å; F15-F61 HydrophobicContact CD2-CD1 3.89Å; F15-F61 AromaticContact CD2-CE1 3.44Å; F15-F61 HydrophobicContact CD2-CE1 3.44Å; F15-F61 VanDerWaalsContact CD2-CE1 3.44Å; F15-F61 AromaticContact CE2-CD1 3.99Å; F15-F61 HydrophobicContact CE2-CD1 3.99Å; F15-F61 AromaticContact CE2-CE1 3.79Å; F15-F61 HydrophobicContact CE2-CE1 3.79Å; F15-F61 HydrophobicContact CG-CE1 4.26Å; F61-E63 HydrophobicContact CD2-CG 4.17Å; F61-E63 HydrophobicContact CE2-CG 3.87Å; F61-R83 HydrophobicContact CD1-CB 3.8Å; F61-R83 HydrophobicContact CD2-CB 4.01Å; F61-R83 HydrophobicContact CD2-CG 4.03Å; F61-R83 HydrophobicContact CE1-CB 3.44Å; F61-R83 VanDerWaalsContact CE1-CB 3.44Å; F61-R83 HydrophobicContact CE1-CG 4.07Å; F61-R83 HydrophobicContact CE2-CB 3.68Å; F61-R83 HydrophobicContact CE2-CG 3.42Å; F61-R83 VanDerWaalsContact CE2-CG 3.42Å; F61-R83 HydrophobicContact CG-CB 4.08Å; F61-R83 HydrophobicContact CZ-CB 3.38Å; F61-R83 HydrophobicContact CZ-CG 3.44Å; F61-R83 VanDerWaalsContact CZ-CG 3.44Å; F61-R83 PolarHBondContact N-O 3.01Å; F61-R83 PolarHBondContact O-N 2.64Å
62L97.8Very high96.4Very high28 Ų2867.1 Ų67.115%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-106.9122.2-174174.963.7000111.4A46 Q50 K64 V82A46-L62 HydrophobicContact CB-CD1 3.52Å; Q50-L62 HydrophobicContact CG-CB 4.42Å; Q50-L62 VanDerWaalsContact OE1-CB 3.24Å; L62-K64 HydrophobicContact CD2-CD 4.45Å; L62-K64 HydrophobicContact CD2-CG 3.65Å; L62-K64 HydrophobicContact CG-CG 3.75Å; L62-K64 PolarHBondContact O-N 2.65Å; L62-V82 HydrophobicContact CD1-CG2 4.1Å
63E97.3Very high96.2Very high38 Ų3868.1 Ų68.118%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-96.383170.2-61.1173.6171.400109.2F61 N65 K66 G80 R81 R83F61-E63 HydrophobicContact CD2-CG 4.17Å; F61-E63 HydrophobicContact CE2-CG 3.87Å; E63-N65 PolarHBondContact O-N 3.45Å; E63-N65 VanDerWaalsContact O-N 3.13Å; E63-K66 HydrophobicContact CB-CB 4.3Å; E63-K66 HydrophobicContact CB-CG 3.74Å; E63-K66 PolarHBondContact O-N 3.15Å; E63-K66 WeakPolarHBondContact OE2-CG 3.4Å; E63-G80 WeakPolarHBondContact O-CA 3.49Å; E63-R81 HydrophobicContact CB-CB 4.37Å; E63-R81 PolarHBondContact N-O 3.03Å; E63-R81 PolarHBondContact O-N 3.17Å; E63-R81 VanDerWaalsContact O-N 3.11Å; E63-R81 IonicContact OE1-NH2 3.66Å; E63-R81 PolarHBondContact OE1-NH2 3.03Å; E63-R81 IonicContact OE2-CZ 3.69Å; E63-R81 IonicContact OE2-NE 3.38Å; E63-R81 PolarHBondContact OE2-NE 3.35Å; E63-R81 IonicContact OE2-NH2 2.73Å; E63-R81 PolarHBondContact OE2-NH2 3.41Å; E63-R83 HydrophobicContact CG-CG 4.12Å; E63-R83 WeakPolarHBondContact OE1-CG 3.46Å; E63-R83 IonicContact OE1-CZ 3.41Å; E63-R83 IonicContact OE1-NH1 2.78Å; E63-R83 PolarHBondContact OE1-NH1 3Å
64K95.4Very high96Very high150 Ų15076.5 Ų76.565%0.65239%0.394SS*.THydrogen-bonded Turntrans-53.6-35.1-170.1-64.5-178.8-179.7-1800114.7L62 G80L62-K64 HydrophobicContact CD2-CD 4.45Å; L62-K64 HydrophobicContact CD2-CG 3.65Å; L62-K64 HydrophobicContact CG-CG 3.75Å; L62-K64 PolarHBondContact O-N 2.65Å; K64-G80 PolarHBondContact O-N 2.97Å
65N95Very high95.8Very high139 Ų13977.3 Ų77.374%0.74339%0.393SS*.THydrogen-bonded Turntrans-95.6-0.5-172.7-66.8-38.5000114.4E63E63-N65 PolarHBondContact O-N 3.45Å; E63-N65 VanDerWaalsContact O-N 3.13Å
66K96.8Very high95.7Very high108 Ų10879 Ų7947%0.4739%0.394SS..  trans-78.4141.8177.6-67.2-63.6-173-177.90110.5E63 G80 R81E63-K66 HydrophobicContact CB-CB 4.3Å; E63-K66 HydrophobicContact CB-CG 3.74Å; E63-K66 PolarHBondContact O-N 3.15Å; E63-K66 WeakPolarHBondContact OE2-CG 3.4Å; K66-G80 CarbonylContact O-C 3.57Å; K66-G80 WeakPolarHBondContact O-CA 3.37Å; K66-G80 PolarHBondContact O-N 3.35Å; K66-R81 HydrophobicContact CB-CB 3.84Å
67M95.3Very high95.4Very high54 Ų5482.2 Ų82.227%0.26641%0.407SS..  trans-116.8144.4179.4-74.4-179.168.500110.7R74 R79M67-R74 HydrophobicContact CE-CB 4.4Å; M67-R74 HydrophobicContact CE-CG 3.89Å; M67-R79 HydrophobicContact CG-CG 4.02Å; M67-R79 HydrophobicContact SD-CG 4.5Å
68Y97.1Very high95.3Very high21 Ų2182 Ų828%0.08239%0.389CS..  trans-74.7132.7171-176.7-130.6000109.5Y19 A21 Y22 E31 R34 R70 E71Y19-Y68 HydrophobicContact CD1-CD2 4.33Å; Y19-Y68 HydrophobicContact CD1-CG 4.34Å; Y19-Y68 AromaticContact CD2-CD2 3.71Å; Y19-Y68 HydrophobicContact CD2-CD2 3.71Å; Y19-Y68 HydrophobicContact CD2-CE2 4.38Å; Y19-Y68 HydrophobicContact CD2-CG 4.38Å; Y19-Y68 HydrophobicContact CE1-CD2 4.48Å; Y19-Y68 AromaticContact CE2-CD2 3.87Å; Y19-Y68 HydrophobicContact CE2-CD2 3.87Å; Y19-Y68 AromaticContact CG-CD2 3.9Å; Y19-Y68 HydrophobicContact CG-CD2 3.9Å; Y19-Y68 HydrophobicContact CG-CG 4.11Å; A21-Y68 HydrophobicContact CB-CD1 3.66Å; A21-Y68 HydrophobicContact CB-CE1 4.05Å; A21-Y68 HydrophobicContact CB-CG 4.46Å; Y22-Y68 HydrophobicContact CE1-CD2 4.27Å; Y22-Y68 HydrophobicContact CE1-CE1 4.38Å; Y22-Y68 AromaticContact CE1-CE2 3.78Å; Y22-Y68 HydrophobicContact CE1-CE2 3.78Å; Y22-Y68 AromaticContact CE1-CZ 3.83Å; E31-Y68 WeakPolarHBondContact O-CE1 3.43Å; R34-Y68 PolarHBondContact NH2-OH 3.1Å; Y68-R70 HydrophobicContact CD1-CB 3.93Å; Y68-R70 HydrophobicContact CD1-CG 4.47Å; Y68-R70 HydrophobicContact CE1-CB 3.51Å; Y68-R70 HydrophobicContact CE1-CG 3.74Å; Y68-R70 PolarHBondContact O-N 3.21Å; Y68-R70 WeakPolarHBondContact OH-CD 3.28Å; Y68-R70 PolarHBondContact OH-NE 2.84Å; Y68-E71 WeakPolarHBondContact O-CB 3.39Å; Y68-E71 PolarHBondContact O-N 3.18Å
69S97.3Very high95.2Very high119 Ų11986 Ų8683%0.83240%0.404SS*.THydrogen-bonded Turntrans-60.2-24.6-174.1-50.10000114.4
70R96.6Very high95.3Very high129 Ų12982 Ų8249%0.48738%0.383SS..THydrogen-bonded Turntrans-94.80.7176.6-45.9-176-178.6173.8-3.5113.2A30 Y68A30-R70 VanDerWaalsContact O-CD 3.23Å; A30-R70 WeakPolarHBondContact O-CD 3.32Å; A30-R70 PolarHBondContact O-NH1 3.06Å; Y68-R70 HydrophobicContact CD1-CB 3.93Å; Y68-R70 HydrophobicContact CD1-CG 4.47Å; Y68-R70 HydrophobicContact CE1-CB 3.51Å; Y68-R70 HydrophobicContact CE1-CG 3.74Å; Y68-R70 PolarHBondContact O-N 3.21Å; Y68-R70 WeakPolarHBondContact OH-CD 3.28Å; Y68-R70 PolarHBondContact OH-NE 2.84Å
71E95.2Very high95.3Very high14 Ų1483.3 Ų83.37%0.06539%0.386CS..  trans-85.2114.9175-174.661.2-94.300109.5K27 Y68 N73K27-E71 WeakPolarHBondContact CE-OE2 3.4Å; K27-E71 IonicContact NZ-OE1 2.97Å; K27-E71 PolarHBondContact NZ-OE1 3.26Å; K27-E71 IonicContact NZ-OE2 2.74Å; K27-E71 PolarHBondContact NZ-OE2 2.78Å; Y68-E71 WeakPolarHBondContact O-CB 3.39Å; Y68-E71 PolarHBondContact O-N 3.18Å; E71-N73 WeakPolarHBondContact CG-O 3.27Å; E71-N73 PolarHBondContact OE1-N 2.97Å
72W93.1Very high95.3Very high200 Ų20081 Ų8176%0.75838%0.376SS*.  trans-85.6-30.7178.871.4-91.8000111.5R74W72-R74 PolarHBondContact O-N 3.27Å
73N93.5Very high95.4Very high27 Ų2780.4 Ų80.414%0.14437%0.372CS..  trans-76.2122.9-178.2-170.9-32.2000110.3E71 D75 Y78E71-N73 WeakPolarHBondContact CG-O 3.27Å; E71-N73 PolarHBondContact OE1-N 2.97Å; N73-D75 PolarHBondContact ND2-OD2 2.84Å; N73-D75 VanDerWaalsContact OD1-CB 3.29Å; N73-D75 WeakPolarHBondContact OD1-CB 3.37Å; N73-D75 PolarHBondContact OD1-N 3.21Å; N73-D75 PolarHBondContact OD1-OD2 2.74Å; N73-D75 VanDerWaalsContact OD1-OD2 3.11Å; N73-Y78 HydrophobicContact CB-CD2 3.66Å; N73-Y78 HydrophobicContact CB-CE2 4.04Å; N73-Y78 HydrophobicContact CB-CG 4.15Å; N73-Y78 VanDerWaalsContact CG-CE2 3.45Å; N73-Y78 WeakPolarHBondContact ND2-CD2 3.35Å; N73-Y78 WeakPolarHBondContact ND2-CE2 3.18Å; N73-Y78 WeakPolarHBondContact OD1-CD2 3.47Å
74R93.1Very high95.4Very high175 Ų17578.6 Ų78.666%0.6636%0.363SS*.  trans-93.74.3-177.2-58-165.9175-111.12.9113.9M67 W72 R79M67-R74 HydrophobicContact CE-CB 4.4Å; M67-R74 HydrophobicContact CE-CG 3.89Å; W72-R74 PolarHBondContact O-N 3.27Å; R74-R79 PolarHBondContact O-NE 3.4Å; R74-R79 PolarHBondContact O-NH2 3.09Å
75D93.5Very high95.4Very high86 Ų8672.5 Ų72.546%0.4634%0.337SS..SBendtrans-63.8151.9177.5-61.1-26.5000111.3N73 Q77 Y78N73-D75 PolarHBondContact ND2-OD2 2.84Å; N73-D75 VanDerWaalsContact OD1-CB 3.29Å; N73-D75 WeakPolarHBondContact OD1-CB 3.37Å; N73-D75 PolarHBondContact OD1-N 3.21Å; N73-D75 PolarHBondContact OD1-OD2 2.74Å; N73-D75 VanDerWaalsContact OD1-OD2 3.11Å; D75-Q77 HydrophobicContact CB-CG 4.11Å; D75-Q77 PolarHBondContact O-N 2.85Å; D75-Q77 VanDerWaalsContact O-N 3.11Å; D75-Y78 HydrophobicContact CB-CD2 4.09Å; D75-Y78 PolarHBondContact O-N 2.95Å
76V92.7Very high95.5Very high123 Ų12367 Ų6775%0.74531%0.307SS*.G310 helixtrans-55.3-34.9-176.5178.30000112.1Y78 R79V76-Y78 VanDerWaalsContact C-N 3.26Å; V76-Y78 PolarHBondContact O-N 2.93Å; V76-R79 PolarHBondContact O-N 2.73Å
77Q91.5Very high95.4Very high99 Ų9966.4 Ų66.446%0.46331%0.305SS..G310 helixtrans-64.8-24.7-179.467-175-2800114.4D75D75-Q77 HydrophobicContact CB-CG 4.11Å; D75-Q77 PolarHBondContact O-N 2.85Å; D75-Q77 VanDerWaalsContact O-N 3.11Å
78Y93.3Very high95.3Very high50 Ų5068.2 Ų68.220%0.19631%0.313CS..G310 helixtrans-98.1-6.4179.7-61.6-73.3000113N73 D75 V76N73-Y78 HydrophobicContact CB-CD2 3.66Å; N73-Y78 HydrophobicContact CB-CE2 4.04Å; N73-Y78 HydrophobicContact CB-CG 4.15Å; N73-Y78 VanDerWaalsContact CG-CE2 3.45Å; N73-Y78 WeakPolarHBondContact ND2-CD2 3.35Å; N73-Y78 WeakPolarHBondContact ND2-CE2 3.18Å; N73-Y78 WeakPolarHBondContact OD1-CD2 3.47Å; D75-Y78 HydrophobicContact CB-CD2 4.09Å; D75-Y78 PolarHBondContact O-N 2.95Å; V76-Y78 VanDerWaalsContact C-N 3.26Å; V76-Y78 PolarHBondContact O-N 2.93Å
79R94.9Very high95.1Very high92 Ų9274.6 Ų74.635%0.34734%0.343SS..  trans-83159.3175.4-59.7-176.9-169.7-174.22.5111M67 R74 V76M67-R79 HydrophobicContact CG-CG 4.02Å; M67-R79 HydrophobicContact SD-CG 4.5Å; R74-R79 PolarHBondContact O-NE 3.4Å; R74-R79 PolarHBondContact O-NH2 3.09Å; V76-R79 PolarHBondContact O-N 2.73Å
80G96.9Very high94.9Very high2 Ų274.7 Ų74.72%0.02134%0.335CS..  trans115.7146.617200000113.1P20 E63 K64 K66P20-G80 VanDerWaalsContact CD-O 3.3Å; P20-G80 WeakPolarHBondContact CD-O 3.11Å; E63-G80 WeakPolarHBondContact O-CA 3.49Å; K64-G80 PolarHBondContact O-N 2.97Å; K66-G80 CarbonylContact O-C 3.57Å; K66-G80 WeakPolarHBondContact O-CA 3.37Å; K66-G80 PolarHBondContact O-N 3.35Å
81R98Very high94.6Very high47 Ų4770 Ų7018%0.17733%0.326CS..EExtended strand (participates in β ladder)trans-133.5129.2172.7-178168.675.4174.74.4109C17 Y19 E63 K66C17-R81 HydrophobicContact CB-CG 4.16Å; Y19-R81 HydrophobicContact CD1-CB 4.07Å; Y19-R81 HydrophobicContact CD1-CG 4.23Å; Y19-R81 HydrophobicContact CE1-CB 3.78Å; Y19-R81 HydrophobicContact CE1-CG 3.9Å; Y19-R81 HydrophobicContact CE2-CG 4.33Å; Y19-R81 VanDerWaalsContact OH-CD 3.27Å; Y19-R81 WeakPolarHBondContact OH-CD 3.41Å; Y19-R81 PolarHBondContact OH-NH1 3.13Å; E63-R81 HydrophobicContact CB-CB 4.37Å; E63-R81 PolarHBondContact N-O 3.03Å; E63-R81 PolarHBondContact O-N 3.17Å; E63-R81 VanDerWaalsContact O-N 3.11Å; E63-R81 IonicContact OE1-NH2 3.66Å; E63-R81 PolarHBondContact OE1-NH2 3.03Å; E63-R81 IonicContact OE2-CZ 3.69Å; E63-R81 IonicContact OE2-NE 3.38Å; E63-R81 PolarHBondContact OE2-NE 3.35Å; E63-R81 IonicContact OE2-NH2 2.73Å; E63-R81 PolarHBondContact OE2-NH2 3.41Å; K66-R81 HydrophobicContact CB-CB 3.84Å
82V98.2Very high94.6Very high0 Ų071.4 Ų71.40%034%0.337CS..EExtended strand (participates in β ladder)trans-94.2129.7173.8-175.70000108.6I18 A46 I49 Q50 V60 L62 V84I18-V82 HydrophobicContact CB-CB 4.46Å; I18-V82 PolarHBondContact N-O 3.38Å; I18-V82 PolarHBondContact O-N 2.9Å; A46-V82 HydrophobicContact CB-CG2 4.26Å; A46-V82 WeakPolarHBondContact O-CG2 3.35Å; I49-V82 HydrophobicContact CB-CG2 3.89Å; I49-V82 HydrophobicContact CG2-CB 4.05Å; I49-V82 HydrophobicContact CG2-CG1 4.3Å; I49-V82 HydrophobicContact CG2-CG2 3.73Å; Q50-V82 HydrophobicContact CB-CG2 4.36Å; V60-V82 HydrophobicContact CB-CG1 4.27Å; L62-V82 HydrophobicContact CD1-CG2 4.1Å; V82-V84 HydrophobicContact CG1-CG2 3.91Å
83R98.1Very high94.7Very high15 Ų1564.6 Ų64.66%0.05732%0.316CS..EExtended strand (participates in β ladder)trans-100.8129.7173.1-58.8-62.1-64-76.45108.1Q12 D13 F15 I16 V60 F61 E63Q12-R83 VanDerWaalsContact O-CZ 3.24Å; Q12-R83 PolarHBondContact O-NH2 3.49Å; D13-R83 VanDerWaalsContact C-NH2 3.28Å; D13-R83 PolarHBondContact O-NH2 3.46Å; F15-R83 HydrophobicContact CB-CB 4Å; F15-R83 HydrophobicContact CD2-CB 4.23Å; F15-R83 PolarHBondContact O-NE 3.48Å; F15-R83 PolarHBondContact O-NH2 3.45Å; I16-R83 VanDerWaalsContact O-CA 3.28Å; I16-R83 WeakPolarHBondContact O-CA 2.98Å; V60-R83 WeakPolarHBondContact CA-O 3.18Å; V60-R83 WeakPolarHBondContact CB-O 3.39Å; F61-R83 HydrophobicContact CD1-CB 3.8Å; F61-R83 HydrophobicContact CD2-CB 4.01Å; F61-R83 HydrophobicContact CD2-CG 4.03Å; F61-R83 HydrophobicContact CE1-CB 3.44Å; F61-R83 VanDerWaalsContact CE1-CB 3.44Å; F61-R83 HydrophobicContact CE1-CG 4.07Å; F61-R83 HydrophobicContact CE2-CB 3.68Å; F61-R83 HydrophobicContact CE2-CG 3.42Å; F61-R83 VanDerWaalsContact CE2-CG 3.42Å; F61-R83 HydrophobicContact CG-CB 4.08Å; F61-R83 HydrophobicContact CZ-CB 3.38Å; F61-R83 HydrophobicContact CZ-CG 3.44Å; F61-R83 VanDerWaalsContact CZ-CG 3.44Å; F61-R83 PolarHBondContact N-O 3.01Å; F61-R83 PolarHBondContact O-N 2.64Å; E63-R83 HydrophobicContact CG-CG 4.12Å; E63-R83 WeakPolarHBondContact OE1-CG 3.46Å; E63-R83 IonicContact OE1-CZ 3.41Å; E63-R83 IonicContact OE1-NH1 2.78Å; E63-R83 PolarHBondContact OE1-NH1 3Å
84V97.6Very high94.8Very high0 Ų065 Ų650%032%0.32CS..EExtended strand (participates in β ladder)trans-128.3130.7-176.9-1760000110.3F15 I16 I18 L58 V60 V82 L86F15-V84 CarbonylContact C-O 3.47Å; F15-V84 WeakPolarHBondContact CA-O 3.39Å; F15-V84 WeakPolarHBondContact CB-O 3.49Å; I16-V84 HydrophobicContact CD1-CB 4.07Å; I16-V84 HydrophobicContact CG1-CB 3.68Å; I16-V84 HydrophobicContact CG1-CG1 4.48Å; I16-V84 HydrophobicContact CG1-CG2 4.43Å; I16-V84 VanDerWaalsContact CG1-O 3.32Å; I16-V84 WeakPolarHBondContact CG1-O 3.36Å; I16-V84 PolarHBondContact N-O 3.35Å; I16-V84 PolarHBondContact O-N 2.95Å; I18-V84 HydrophobicContact CD1-CG2 3.9Å; I18-V84 HydrophobicContact CG1-CG2 4.44Å; L58-V84 HydrophobicContact CB-CG1 4.21Å; L58-V84 HydrophobicContact CD1-CG1 3.97Å; L58-V84 HydrophobicContact CD2-CG1 4.16Å; L58-V84 HydrophobicContact CG-CG1 4.36Å; V60-V84 HydrophobicContact CG1-CB 4.03Å; V60-V84 HydrophobicContact CG1-CG1 3.86Å; V60-V84 HydrophobicContact CG1-CG2 3.66Å; V82-V84 HydrophobicContact CG1-CG2 3.91Å; V84-L86 HydrophobicContact CG1-CD2 4.43Å
85Q96.9Very high94.9Very high23 Ų2359.2 Ų59.211%0.10730%0.302CS..  trans-78.3123.3169.3-162.3177.8-300109.6F15 N59 K87F15-Q85 HydrophobicContact CD1-CB 4Å; F15-Q85 HydrophobicContact CD1-CG 4.03Å; F15-Q85 HydrophobicContact CD2-CB 4.14Å; F15-Q85 HydrophobicContact CE1-CB 3.6Å; F15-Q85 HydrophobicContact CE1-CG 3.43Å; F15-Q85 VanDerWaalsContact CE1-CG 3.43Å; F15-Q85 HydrophobicContact CE2-CB 3.76Å; F15-Q85 HydrophobicContact CE2-CG 4.47Å; F15-Q85 HydrophobicContact CG-CB 4.28Å; F15-Q85 HydrophobicContact CZ-CB 3.49Å; F15-Q85 VanDerWaalsContact CZ-CB 3.49Å; F15-Q85 HydrophobicContact CZ-CG 3.71Å; N59-Q85 HydrophobicContact CB-CB 3.92Å; N59-Q85 PolarHBondContact ND2-OE1 3.39Å; N59-Q85 PolarHBondContact O-N 3.04Å; Q85-K87 VanDerWaalsContact CG-O 3.26Å; Q85-K87 WeakPolarHBondContact CG-O 3.27Å; Q85-K87 PolarHBondContact NE2-O 3.43Å
86L95.7Very high95Very high22 Ų2261.5 Ų61.512%0.11532%0.319CS..  trans-100.6-27.5171.3-70.2-172.1000112.8I16 V84 L93 C94 F98 R101 V104I16-L86 HydrophobicContact CD1-CD1 3.98Å; I16-L86 HydrophobicContact CD1-CD2 4.09Å; I16-L86 HydrophobicContact CD1-CG 3.95Å; I16-L86 HydrophobicContact CG1-CD1 4.44Å; I16-L86 HydrophobicContact CG1-CG 4.17Å; I16-L86 HydrophobicContact CG2-CD1 3.74Å; I16-L86 HydrophobicContact CG2-CG 4.01Å; V84-L86 HydrophobicContact CG1-CD2 4.43Å; L86-L93 WeakPolarHBondContact O-CA 3.34Å; L86-C94 PolarHBondContact O-N 3.04Å; L86-F98 HydrophobicContact CD2-CB 4.44Å; L86-R101 HydrophobicContact CD1-CG 4.3Å; L86-V104 HydrophobicContact CD2-CG2 3.69Å
87K94.8Very high95.1Very high97 Ų9760.4 Ų60.442%0.42231%0.306SS..BIsolated β-bridgetrans-130.4145.1-171.4-69.1-176.9173.4-154.40111.5P9 Q85 G91 S92 L93P9-K87 HydrophobicContact CB-CB 3.59Å; P9-K87 HydrophobicContact CB-CD 4.47Å; P9-K87 HydrophobicContact CG-CB 4.32Å; Q85-K87 VanDerWaalsContact CG-O 3.26Å; Q85-K87 WeakPolarHBondContact CG-O 3.27Å; Q85-K87 PolarHBondContact NE2-O 3.43Å; K87-G91 WeakPolarHBondContact CD-O 3.35Å; K87-S92 CarbonylContact C-O 3.58Å; K87-S92 WeakPolarHBondContact CA-O 3.39Å; K87-S92 WeakPolarHBondContact CB-O 3.15Å; K87-L93 HydrophobicContact CG-CD2 4.17Å
88Q93.9Very high95.4Very high92 Ų9256 Ų5643%0.4329%0.285SS..  trans-76.8178.1170.3-59-173.359.700110.2D90 G91 S92Q88-D90 VanDerWaalsContact C-N 3.27Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.3Å; Q88-D90 PolarHBondContact O-N 3.06Å; Q88-G91 PolarHBondContact O-N 3.32Å; Q88-G91 VanDerWaalsContact O-N 3.08Å; Q88-S92 PolarHBondContact N-O 3.29Å; Q88-S92 PolarHBondContact NE2-OG 3.17Å
89E92.7Very high95.5Very high154 Ų15457.4 Ų57.472%0.7230%0.3SS*.THydrogen-bonded Turntrans-63.2-34.7-179.6179.1166.6-16200112.7S8 A10 G91S8-E89 WeakPolarHBondContact OG-CA 3.35Å; S8-E89 WeakPolarHBondContact OG-CG 3.29Å; A10-E89 HydrophobicContact CB-CB 4.08Å; E89-G91 PolarHBondContact O-N 2.73Å
90D92.5Very high95.6Very high122 Ų12255.3 Ų55.365%0.65230%0.3SS*.THydrogen-bonded Turntrans-72.3-5.1174.469.3-1.5000114.1Q88 S92Q88-D90 VanDerWaalsContact C-N 3.27Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.3Å; Q88-D90 PolarHBondContact O-N 3.06Å; D90-S92 VanDerWaalsContact C-N 3.33Å; D90-S92 WeakPolarHBondContact OD1-CB 3.33Å; D90-S92 PolarHBondContact OD1-N 3.06Å; D90-S92 PolarHBondContact OD1-OG 3.36Å; D90-S92 PolarHBondContact OD2-OG 3.33Å
91G90.9Very high95.6Very high30 Ų3062.5 Ų62.531%0.30933%0.326SS..SBendtrans84.4-3.2-178.400000115.6K87 Q88 E89K87-G91 WeakPolarHBondContact CD-O 3.35Å; Q88-G91 PolarHBondContact O-N 3.32Å; Q88-G91 VanDerWaalsContact O-N 3.08Å; E89-G91 PolarHBondContact O-N 2.73Å
92S94.5Very high95.6Very high43 Ų4365.9 Ų65.930%0.30134%0.342SS..  trans-65.2156.8170.372.70000110.9K87 Q88 D90K87-S92 CarbonylContact C-O 3.58Å; K87-S92 WeakPolarHBondContact CA-O 3.39Å; K87-S92 WeakPolarHBondContact CB-O 3.15Å; Q88-S92 PolarHBondContact N-O 3.29Å; Q88-S92 PolarHBondContact NE2-OG 3.17Å; D90-S92 VanDerWaalsContact C-N 3.33Å; D90-S92 WeakPolarHBondContact OD1-CB 3.33Å; D90-S92 PolarHBondContact OD1-N 3.06Å; D90-S92 PolarHBondContact OD1-OG 3.36Å; D90-S92 PolarHBondContact OD2-OG 3.33Å
93L95.6Very high95.6Very high58 Ų5867.1 Ų67.130%0.30435%0.351SS..BIsolated β-bridgetrans-73.7139.3177.5-66.1172.8000110.5L86 K87 L95 P99L86-L93 WeakPolarHBondContact O-CA 3.34Å; K87-L93 HydrophobicContact CG-CD2 4.17Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.11Å; L93-P99 HydrophobicContact CD1-CB 3.86Å
94C94.7Very high95.6Very high36 Ų3666.4 Ų66.424%0.24335%0.348CS..SBendtrans-63.2-41.2174-64.50000111.5L86L86-C94 PolarHBondContact O-N 3.04Å
95L95.5Very high95.6Very high52 Ų5267.1 Ų67.127%0.27235%0.352SS..SBendtrans-138.2126.5175.7-64.6175.4000108.9L58 L93 Q97 F98L58-L95 HydrophobicContact CD2-CD1 3.92Å; L58-L95 HydrophobicContact CD2-CG 4.49Å; L58-L95 HydrophobicContact CG-CD1 4.04Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.11Å; L95-Q97 HydrophobicContact CB-CG 4.16Å; L95-Q97 PolarHBondContact O-N 2.99Å; L95-Q97 VanDerWaalsContact O-N 3.15Å; L95-F98 HydrophobicContact CB-CD2 3.97Å; L95-F98 HydrophobicContact CD1-CD2 3.9Å; L95-F98 HydrophobicContact CD1-CE2 4.01Å; L95-F98 PolarHBondContact O-N 3.15Å
96V95.6Very high95.7Very high135 Ų13568.3 Ų68.382%0.81836%0.358SS*.THydrogen-bonded Turntrans-60.1-26.8-177.9-64.20000113.3F98V96-F98 PolarHBondContact O-N 3.24Å
97Q95.5Very high95.8Very high100 Ų10069.7 Ų69.747%0.46736%0.363SS..THydrogen-bonded Turntrans-69.4-16.717674.1-173.9-24.800113.5V56 L95 P99V56-Q97 VanDerWaalsContact CG2-NE2 3.26Å; L95-Q97 HydrophobicContact CB-CG 4.16Å; L95-Q97 PolarHBondContact O-N 2.99Å; L95-Q97 VanDerWaalsContact O-N 3.15Å; Q97-P99 VanDerWaalsContact O-CD 3.27Å; Q97-P99 WeakPolarHBondContact O-CD 3.27Å
98F96.8Very high95.9Very high6 Ų665.1 Ų65.13%0.02634%0.343CS..  trans-120.465.9-176.5-60.4-54.1000112.8V56 L58 L86 L95 V96 S100 V104 Y107V56-F98 HydrophobicContact CB-CE2 4.4Å; V56-F98 HydrophobicContact CG1-CE2 3.6Å; V56-F98 HydrophobicContact CG1-CZ 3.83Å; V56-F98 HydrophobicContact CG2-CE2 3.88Å; V56-F98 HydrophobicContact CG2-CZ 3.96Å; L58-F98 HydrophobicContact CD1-CD2 3.65Å; L58-F98 HydrophobicContact CD1-CE2 3.65Å; L58-F98 HydrophobicContact CD1-CG 4.22Å; L58-F98 HydrophobicContact CD1-CZ 4.26Å; L58-F98 HydrophobicContact CD2-CB 4.44Å; L58-F98 HydrophobicContact CD2-CD2 3.59Å; L58-F98 HydrophobicContact CD2-CE2 4.23Å; L58-F98 HydrophobicContact CD2-CG 4.32Å; L58-F98 HydrophobicContact CG-CD2 3.7Å; L58-F98 HydrophobicContact CG-CE2 3.81Å; L86-F98 HydrophobicContact CD2-CB 4.44Å; L95-F98 HydrophobicContact CB-CD2 3.97Å; L95-F98 HydrophobicContact CD1-CD2 3.9Å; L95-F98 HydrophobicContact CD1-CE2 4.01Å; L95-F98 PolarHBondContact O-N 3.15Å; V96-F98 PolarHBondContact O-N 3.24Å; F98-S100 PolarHBondContact O-N 2.73Å; F98-V104 HydrophobicContact CB-CG2 3.9Å; F98-V104 HydrophobicContact CD1-CG2 3.93Å; F98-V104 HydrophobicContact CG-CG2 3.98Å; F98-Y107 HydrophobicContact CE1-CD1 4.02Å; F98-Y107 HydrophobicContact CE1-CD2 4.14Å; F98-Y107 AromaticContact CE1-CG 3.64Å; F98-Y107 HydrophobicContact CE1-CG 3.64Å; F98-Y107 AromaticContact CZ-CD1 3.75Å; F98-Y107 HydrophobicContact CZ-CD1 3.75Å; F98-Y107 HydrophobicContact CZ-CD2 4.07Å; F98-Y107 HydrophobicContact CZ-CE1 4.14Å; F98-Y107 HydrophobicContact CZ-CE2 4.42Å; F98-Y107 AromaticContact CZ-CG 3.72Å; F98-Y107 HydrophobicContact CZ-CG 3.72Å
99P95.9Very high96.1Very high79 Ų7960.9 Ų60.951%0.51332%0.324SS..  trans-71.3-17-179.930.1-36.9000113.8L93 Q97 S103L93-P99 HydrophobicContact CD1-CB 3.86Å; Q97-P99 VanDerWaalsContact O-CD 3.27Å; Q97-P99 WeakPolarHBondContact O-CD 3.27Å; P99-S103 WeakPolarHBondContact CD-OG 3.32Å
100S97Very high96.4Very high48 Ų4859.1 Ų59.134%0.33632%0.315SS..SBendtrans-143.1164.8-171.474.40000113.5F98 K102 S103 V104F98-S100 PolarHBondContact O-N 2.73Å; S100-K102 PolarHBondContact O-N 2.78Å; S100-K102 PolarHBondContact OG-N 3.32Å; S100-S103 PolarHBondContact N-OG 3.49Å; S100-S103 PolarHBondContact O-N 3.48Å; S100-S103 PolarHBondContact O-OG 3.47Å; S100-S103 PolarHBondContact OG-N 2.61Å; S100-S103 PolarHBondContact OG-OG 2.9Å; S100-V104 PolarHBondContact O-N 2.88Å
101R97.6Very high96.6Very high153 Ų15355.9 Ų55.958%0.57730%0.297SS*.Hα-helixtrans-58.2-37.5169.8-60.3178.4-177.779.33.2111.3I16 L86 V104 M105I16-R101 HydrophobicContact CB-CG 3.99Å; I16-R101 HydrophobicContact CD1-CB 4.1Å; I16-R101 HydrophobicContact CD1-CG 3.72Å; I16-R101 HydrophobicContact CG1-CG 4.44Å; I16-R101 HydrophobicContact CG2-CG 3.79Å; L86-R101 HydrophobicContact CD1-CG 4.3Å; R101-V104 PolarHBondContact O-N 3.03Å; R101-M105 WeakPolarHBondContact O-CG 3.5Å; R101-M105 PolarHBondContact O-N 3.12Å
102K97.6Very high96.9Very high118 Ų11854.4 Ų54.451%0.51328%0.282SS..Hα-helixtrans-68.4-38.4-177.4-163.6178.7-176.3-179.30112S100 M105 L106S100-K102 PolarHBondContact O-N 2.78Å; S100-K102 PolarHBondContact OG-N 3.32Å; K102-M105 HydrophobicContact CB-CE 4.36Å; K102-M105 PolarHBondContact O-N 3.5Å; K102-L106 HydrophobicContact CG-CD1 4.27Å; K102-L106 WeakPolarHBondContact O-CB 3.33Å; K102-L106 WeakPolarHBondContact O-CG 3.43Å; K102-L106 PolarHBondContact O-N 2.94Å
103S97.6Very high97Very high26 Ų2655.4 Ų55.418%0.18229%0.287CS..Hα-helixtrans-63.7-42.1175.846.30000111.6P99 S100 L106 Y107P99-S103 WeakPolarHBondContact CD-OG 3.32Å; S100-S103 PolarHBondContact N-OG 3.49Å; S100-S103 PolarHBondContact O-N 3.48Å; S100-S103 PolarHBondContact O-OG 3.47Å; S100-S103 PolarHBondContact OG-N 2.61Å; S100-S103 PolarHBondContact OG-OG 2.9Å; S103-L106 PolarHBondContact O-N 3.29Å; S103-Y107 WeakPolarHBondContact O-CB 3.26Å; S103-Y107 PolarHBondContact O-N 3.02Å
104V98Very high97Very high0 Ų058.3 Ų58.30%030%0.298CS..Hα-helixtrans-64.2-44.1175.3-177.10000111.2I18 L58 L86 F98 S100 R101 L106 Y107 A108I18-V104 HydrophobicContact CD1-CB 4.07Å; I18-V104 HydrophobicContact CD1-CG1 3.44Å; I18-V104 VanDerWaalsContact CD1-CG1 3.44Å; L58-V104 HydrophobicContact CD1-CG1 4.03Å; L58-V104 HydrophobicContact CD1-CG2 4.15Å; L86-V104 HydrophobicContact CD2-CG2 3.69Å; F98-V104 HydrophobicContact CB-CG2 3.9Å; F98-V104 HydrophobicContact CD1-CG2 3.93Å; F98-V104 HydrophobicContact CG-CG2 3.98Å; S100-V104 PolarHBondContact O-N 2.88Å; R101-V104 PolarHBondContact O-N 3.03Å; V104-L106 PolarHBondContact O-N 3.47Å; V104-Y107 PolarHBondContact O-N 3.07Å; V104-A108 WeakPolarHBondContact O-CB 3.49Å; V104-A108 PolarHBondContact O-N 3.45Å
105M98.2Very high96.9Very high16 Ų1658.3 Ų58.38%0.07930%0.295CS..Hα-helixtrans-60.9-44.5178.3-76.1-171.9-63.800112.8I18 Y22 L23 R34 I35 R101 K102 A109I18-M105 HydrophobicContact CD1-CG 4.4Å; I18-M105 HydrophobicContact CG2-CG 4.34Å; Y22-M105 HydrophobicContact CD2-SD 3.83Å; Y22-M105 HydrophobicContact CG-SD 4.21Å; L23-M105 HydrophobicContact CD2-CB 3.52Å; L23-M105 HydrophobicContact CD2-CG 3.82Å; L23-M105 VanDerWaalsContact CD2-O 3.27Å; L23-M105 WeakPolarHBondContact CD2-O 3.38Å; L23-M105 HydrophobicContact CD2-SD 4.44Å; R34-M105 HydrophobicContact CB-CE 3.89Å; R34-M105 HydrophobicContact CB-SD 3.85Å; R34-M105 HydrophobicContact CG-SD 4.38Å; I35-M105 HydrophobicContact CG2-CB 4.01Å; R101-M105 WeakPolarHBondContact O-CG 3.5Å; R101-M105 PolarHBondContact O-N 3.12Å; K102-M105 HydrophobicContact CB-CE 4.36Å; K102-M105 PolarHBondContact O-N 3.5Å; M105-A109 WeakPolarHBondContact O-CB 3.45Å; M105-A109 PolarHBondContact O-N 2.95Å
106L98.3Very high96.7Very high47 Ų4764 Ų6425%0.24632%0.317CS..Hα-helixtrans-65.6-43.3178.1-72.3173.3000111.7I35 K39 K102 S103 V104 A109 E110I35-L106 HydrophobicContact CB-CD2 4.09Å; I35-L106 HydrophobicContact CG2-CD2 3.84Å; I35-L106 HydrophobicContact CG2-CG 4.25Å; K39-L106 HydrophobicContact CB-CD2 4.14Å; K39-L106 HydrophobicContact CD-CD2 3.66Å; K102-L106 HydrophobicContact CG-CD1 4.27Å; K102-L106 WeakPolarHBondContact O-CB 3.33Å; K102-L106 WeakPolarHBondContact O-CG 3.43Å; K102-L106 PolarHBondContact O-N 2.94Å; S103-L106 PolarHBondContact O-N 3.29Å; V104-L106 PolarHBondContact O-N 3.47Å; L106-A109 PolarHBondContact O-N 3.11Å; L106-E110 PolarHBondContact O-N 2.81Å
107Y98.2Very high96.4Very high52 Ų5261.7 Ų61.720%0.20430%0.304CS..Hα-helixtrans-61.3-48.6176.1177.3-96.4000111.9V56 F98 S103 V104 A109 E110 M111V56-Y107 HydrophobicContact CB-CE1 3.76Å; V56-Y107 WeakPolarHBondContact CB-OH 3.14Å; V56-Y107 HydrophobicContact CG1-CD1 4.33Å; V56-Y107 HydrophobicContact CG1-CE1 3.64Å; V56-Y107 HydrophobicContact CG2-CE1 4.1Å; V56-Y107 HydrophobicContact CG2-CE2 4.35Å; V56-Y107 WeakPolarHBondContact CG2-OH 3.46Å; F98-Y107 HydrophobicContact CE1-CD1 4.02Å; F98-Y107 HydrophobicContact CE1-CD2 4.14Å; F98-Y107 AromaticContact CE1-CG 3.64Å; F98-Y107 HydrophobicContact CE1-CG 3.64Å; F98-Y107 AromaticContact CZ-CD1 3.75Å; F98-Y107 HydrophobicContact CZ-CD1 3.75Å; F98-Y107 HydrophobicContact CZ-CD2 4.07Å; F98-Y107 HydrophobicContact CZ-CE1 4.14Å; F98-Y107 HydrophobicContact CZ-CE2 4.42Å; F98-Y107 AromaticContact CZ-CG 3.72Å; F98-Y107 HydrophobicContact CZ-CG 3.72Å; S103-Y107 WeakPolarHBondContact O-CB 3.26Å; S103-Y107 PolarHBondContact O-N 3.02Å; V104-Y107 PolarHBondContact O-N 3.07Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 3.28Å; Y107-E110 WeakPolarHBondContact O-CB 3.47Å; Y107-E110 PolarHBondContact O-N 2.74Å; Y107-E110 VanDerWaalsContact O-N 3.09Å; Y107-M111 HydrophobicContact CD1-CG 4.22Å; Y107-M111 HydrophobicContact CD2-CG 4.16Å; Y107-M111 HydrophobicContact CE1-CG 3.78Å; Y107-M111 HydrophobicContact CE2-CG 3.73Å; Y107-M111 HydrophobicContact CE2-SD 4.24Å; Y107-M111 HydrophobicContact CG-CG 4.38Å; Y107-M111 WeakPolarHBondContact O-CG 3.35Å; Y107-M111 PolarHBondContact O-N 3.36Å
108A98.1Very high96Very high0 Ų059.3 Ų59.30%029%0.291CS..Hα-helixtrans-58.2-44.2177.500000111.3L23 V52 V104 E110 M111 I112L23-A108 HydrophobicContact CD1-CB 3.87Å; V52-A108 HydrophobicContact CG2-CB 3.78Å; V104-A108 WeakPolarHBondContact O-CB 3.49Å; V104-A108 PolarHBondContact O-N 3.45Å; A108-E110 VanDerWaalsContact C-N 3.3Å; A108-E110 PolarHBondContact O-N 2.97Å; A108-M111 PolarHBondContact O-N 3.46Å; A108-I112 WeakPolarHBondContact O-CB 3.49Å; A108-I112 WeakPolarHBondContact O-CD1 3.43Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 3.43Å
109A98.2Very high95.3Very high4 Ų462.7 Ų62.73%0.03331%0.312CS..Hα-helixtrans-65.7-31.1177.600000113.2L23 I35 K39 V41 M105 L106 Y107 P113L23-A109 HydrophobicContact CD2-CB 4.44Å; I35-A109 HydrophobicContact CD1-CB 3.54Å; K39-A109 WeakPolarHBondContact O-CB 2.9Å; V41-A109 HydrophobicContact CG1-CB 4.14Å; V41-A109 WeakPolarHBondContact CG1-O 3.23Å; M105-A109 WeakPolarHBondContact O-CB 3.45Å; M105-A109 PolarHBondContact O-N 2.95Å; L106-A109 PolarHBondContact O-N 3.11Å; Y107-A109 VanDerWaalsContact C-N 3.3Å; Y107-A109 PolarHBondContact O-N 3.28Å; A109-P113 WeakPolarHBondContact O-CD 3.37Å
110E97.7Very high94.1Very high116 Ų11666 Ų6654%0.54232%0.32SS..Hα-helixtrans-72.3-35.9174.3-161.3-162.3138.200112.7L106 Y107 A108 K114L106-E110 PolarHBondContact O-N 2.81Å; Y107-E110 WeakPolarHBondContact O-CB 3.47Å; Y107-E110 PolarHBondContact O-N 2.74Å; Y107-E110 VanDerWaalsContact O-N 3.09Å; A108-E110 VanDerWaalsContact C-N 3.3Å; A108-E110 PolarHBondContact O-N 2.97Å; E110-K114 WeakPolarHBondContact O-CE 3.35Å; E110-K114 IonicContact OE1-NZ 3.93Å; E110-K114 PolarHBondContact OE1-NZ 3.07Å
111M97.5Very high92.5Very high54 Ų5472.2 Ų72.227%0.26634%0.341SS..Hα-helixtrans-88.1-30.3-173.5-64.5-54.5-69.100113.8V52 Y107 A108 K114 L115V52-M111 HydrophobicContact CB-CB 3.94Å; V52-M111 HydrophobicContact CG1-CB 3.79Å; Y107-M111 HydrophobicContact CD1-CG 4.22Å; Y107-M111 HydrophobicContact CD2-CG 4.16Å; Y107-M111 HydrophobicContact CE1-CG 3.78Å; Y107-M111 HydrophobicContact CE2-CG 3.73Å; Y107-M111 HydrophobicContact CE2-SD 4.24Å; Y107-M111 HydrophobicContact CG-CG 4.38Å; Y107-M111 WeakPolarHBondContact O-CG 3.35Å; Y107-M111 PolarHBondContact O-N 3.36Å; A108-M111 PolarHBondContact O-N 3.46Å; M111-K114 HydrophobicContact CE-CD 4.4Å; M111-K114 WeakPolarHBondContact O-CB 3.47Å; M111-K114 PolarHBondContact O-N 3.02Å; M111-K114 HydrophobicContact SD-CD 4.05Å; M111-L115 PolarHBondContact O-N 3.35Å
112I97.4Very high90.6Very high0 Ų070.9 Ų70.90%035%0.35CS..G310 helixtrans-54.3-46.4-178.9-77165.3000112.8L23 V41 P44 E48 I49 V52 A108 K114 L115 R118L23-I112 HydrophobicContact CD1-CD1 4.14Å; V41-I112 HydrophobicContact CG1-CB 4.46Å; V41-I112 HydrophobicContact CG2-CD1 4.29Å; V41-I112 HydrophobicContact CG2-CG2 4.38Å; P44-I112 HydrophobicContact CB-CD1 4.14Å; E48-I112 HydrophobicContact CB-CD1 4.48Å; E48-I112 HydrophobicContact CB-CG1 4.14Å; I49-I112 HydrophobicContact CG1-CD1 3.82Å; V52-I112 HydrophobicContact CG1-CG1 4.14Å; V52-I112 HydrophobicContact CG2-CG1 4.26Å; A108-I112 WeakPolarHBondContact O-CB 3.49Å; A108-I112 WeakPolarHBondContact O-CD1 3.43Å; A108-I112 WeakPolarHBondContact O-CG1 3.34Å; A108-I112 PolarHBondContact O-N 3.43Å; I112-K114 PolarHBondContact O-N 2.88Å; I112-L115 WeakPolarHBondContact O-CB 3.26Å; I112-L115 WeakPolarHBondContact O-CG 3.37Å; I112-L115 PolarHBondContact O-N 3.42Å; I112-L115 VanDerWaalsContact O-N 3.13Å; I112-R118 VanDerWaalsContact CG2-CZ 3.43Å; I112-R118 VanDerWaalsContact CG2-NE 3.3Å; I112-R118 WeakPolarHBondContact O-CD 3.37Å
113P95.9Very high88.3Confident63 Ų6368.7 Ų68.741%0.40936%0.362SS..G310 helixtrans-62.8-23178.1-24.436.4000113.9V41 A109 L115V41-P113 HydrophobicContact CG1-CG 3.68Å; A109-P113 WeakPolarHBondContact O-CD 3.37Å; P113-L115 VanDerWaalsContact C-N 3.33Å
114K95.2Very high85.7Confident120 Ų12070.1 Ų70.152%0.52238%0.38SS..G310 helixtrans-84.8-5.8-179.7-53.2176.1-169167.70112.5E110 M111 I112E110-K114 WeakPolarHBondContact O-CE 3.35Å; E110-K114 IonicContact OE1-NZ 3.93Å; E110-K114 PolarHBondContact OE1-NZ 3.07Å; M111-K114 HydrophobicContact CE-CD 4.4Å; M111-K114 WeakPolarHBondContact O-CB 3.47Å; M111-K114 PolarHBondContact O-N 3.02Å; M111-K114 HydrophobicContact SD-CD 4.05Å; I112-K114 PolarHBondContact O-N 2.88Å
115L94.2Very high83Confident36 Ų3674.8 Ų74.819%0.18842%0.419CS..SBendtrans-64.3136.1176.3-69.7174.2000110.9E48 V52 M111 I112 P113 T117 R118 T119E48-L115 HydrophobicContact CB-CD1 3.74Å; E48-L115 HydrophobicContact CG-CD1 3.75Å; V52-L115 HydrophobicContact CG1-CD1 4Å; V52-L115 HydrophobicContact CG1-CD2 3.85Å; V52-L115 HydrophobicContact CG1-CG 4.01Å; M111-L115 PolarHBondContact O-N 3.35Å; I112-L115 WeakPolarHBondContact O-CB 3.26Å; I112-L115 WeakPolarHBondContact O-CG 3.37Å; I112-L115 PolarHBondContact O-N 3.42Å; I112-L115 VanDerWaalsContact O-N 3.13Å; P113-L115 VanDerWaalsContact C-N 3.33Å; L115-T117 PolarHBondContact O-N 3.27Å; L115-T117 VanDerWaalsContact O-N 3.14Å; L115-R118 PolarHBondContact O-N 2.82Å; L115-T119 PolarHBondContact O-N 3.19Å; L115-T119 VanDerWaalsContact O-N 3.1Å
116K89.9Confident80.5Confident170 Ų17080.9 Ų80.974%0.73945%0.452SS*.Hα-helixtrans-54.1-36.1178.4-65-176.8179.4-179.30112.6R118 T119 Q120K116-R118 PolarHBondContact O-N 3.1Å; K116-T119 WeakPolarHBondContact CA-OG1 3.27Å; K116-T119 PolarHBondContact O-N 3.06Å; K116-T119 PolarHBondContact O-OG1 2.73Å; K116-Q120 WeakPolarHBondContact O-CB 3.38Å; K116-Q120 WeakPolarHBondContact O-CG 3.23Å; K116-Q120 PolarHBondContact O-N 2.78Å; K116-Q120 VanDerWaalsContact O-N 3.1Å
117T89Confident77.8Confident87 Ų8787.5 Ų87.553%0.53448%0.481SS..Hα-helixtrans-64-24.6178.452.60000113.5L115L115-T117 PolarHBondContact O-N 3.27Å; L115-T117 VanDerWaalsContact O-N 3.14Å
118R88.1Confident75.2Confident51 Ų5190.2 Ų90.219%0.19251%0.508CS..Hα-helixtrans-90.9-45174.5-70.2-155.9173.8-144.8-3.6112.2E42 N43 E48 I112 L115 K116 Q120 K121 T122E42-R118 PolarHBondContact O-NH1 3.36Å; E42-R118 PolarHBondContact O-NH2 3.44Å; N43-R118 PolarHBondContact O-NH2 2.85Å; E48-R118 IonicContact OE1-CZ 3.97Å; E48-R118 IonicContact OE1-NE 2.84Å; E48-R118 PolarHBondContact OE1-NE 3.48Å; E48-R118 IonicContact OE1-NH2 3.02Å; E48-R118 PolarHBondContact OE1-NH2 3.2Å; E48-R118 IonicContact OE2-CZ 2.9Å; E48-R118 IonicContact OE2-NE 2.65Å; E48-R118 IonicContact OE2-NH2 2.64Å; E48-R118 PolarHBondContact OE2-NH2 3.3Å; I112-R118 VanDerWaalsContact CG2-CZ 3.43Å; I112-R118 VanDerWaalsContact CG2-NE 3.3Å; I112-R118 WeakPolarHBondContact O-CD 3.37Å; L115-R118 PolarHBondContact O-N 2.82Å; K116-R118 PolarHBondContact O-N 3.1Å; R118-Q120 VanDerWaalsContact C-N 3.27Å; R118-Q120 PolarHBondContact O-N 3.31Å; R118-K121 PolarHBondContact O-N 3.04Å; R118-K121 VanDerWaalsContact O-N 3.15Å; R118-T122 PolarHBondContact O-OG1 3.49Å
119T81.1Confident72.5Confident77 Ų7798.1 Ų98.147%0.47255%0.549SS..Hα-helixtrans-64.1-33.4-17757.90000112.5L115 K116L115-T119 PolarHBondContact O-N 3.19Å; L115-T119 VanDerWaalsContact O-N 3.1Å; K116-T119 WeakPolarHBondContact CA-OG1 3.27Å; K116-T119 PolarHBondContact O-N 3.06Å; K116-T119 PolarHBondContact O-OG1 2.73Å
120Q71.4Confident69.9Low148 Ų148107.2 Ų107.269%0.69259%0.591SS**Hα-helixtrans-70.9-30.2176-72.2-179.5-14.400113.5K116 R118 T122 G123K116-Q120 WeakPolarHBondContact O-CB 3.38Å; K116-Q120 WeakPolarHBondContact O-CG 3.23Å; K116-Q120 PolarHBondContact O-N 2.78Å; K116-Q120 VanDerWaalsContact O-N 3.1Å; R118-Q120 VanDerWaalsContact C-N 3.27Å; R118-Q120 PolarHBondContact O-N 3.31Å; Q120-T122 VanDerWaalsContact C-N 3.3Å; Q120-T122 PolarHBondContact O-N 3.46Å; Q120-G123 PolarHBondContact O-N 2.79Å
121K63.2Low67.4Low178 Ų178111 Ų11177%0.77461%0.609SS**Hα-helixtrans-69.8-28.7178.3-76.4-176178.7-1780112.8R118R118-K121 PolarHBondContact O-N 3.04Å; R118-K121 VanDerWaalsContact O-N 3.15Å
122T57.6Low64.9Low125 Ų125111.5 Ų111.577%0.76763%0.627SS**Hα-helixtrans-84.9-15.3179.4-22.70000112.9R118 Q120R118-T122 PolarHBondContact O-OG1 3.49Å; Q120-T122 VanDerWaalsContact C-N 3.3Å; Q120-T122 PolarHBondContact O-N 3.46Å
123G49.4Very low62.3Low73 Ų73120.7 Ų120.775%0.75367%0.671SS**SBendtrans-100.93.1-175.500000116.3Q120Q120-G123 PolarHBondContact O-N 2.79Å
124G42.4Very low59.8Low56 Ų56121.1 Ų121.158%0.57769%0.686SS**  trans-123.110.9-170.600000116.4D126G124-D126 PolarHBondContact O-N 3.2Å
125A42.6Very low57.4Low97 Ų97121.2 Ų121.280%0.80270%0.702SS**SBendtrans-87.77.1-174.100000115.1
126D45.7Very low55.1Low144 Ų144129.3 Ų129.377%0.7774%0.735SS**SBendtrans-144.461.2-175.3-149.3-73.5000111.8G124G124-D126 PolarHBondContact O-N 3.2Å
127Q41Very low53Low187 Ų187131.5 Ų131.587%0.87475%0.745SS**SBendtrans17678.2163.2-99.81597200112
128S42.6Very low51Low108 Ų108130.7 Ų130.776%0.75575%0.754SS**  trans164.9113.7158.441.90000106.4
129L42.1Very low48.9Very low166 Ų166138.9 Ų138.987%0.86979%0.791SS**  cis-15111939.6-75.2108.3000110
130Q43.4Very low47.5Very low196 Ų196138.7 Ų138.792%0.91681%0.805SS**  trans-134.980.2159.6-169.217923.900107.5
131Q46.1Very low46.3Very low195 Ų195141.7 Ų141.791%0.91182%0.815SS**  trans178.1142159.1-108.7169.1-3.600110.8
132G43.8Very low45.7Very low64 Ų64142 Ų14266%0.6682%0.817SS**  trans122.167171.400000112.2
133E44.1Very low45.4Very low194 Ų194145 Ų14591%0.90782%0.819SS**  77.2111.999.4-80.9-176.986.800114.2
134G42.6Very low45.7Very low71 Ų71155 Ų15573%0.73284%0.842SS**  trans-74.1142164.100000111.2
135S45.8Very low45.9Very low122 Ų122160 Ų16085%0.85386%0.855SS**  trans-171.3116.6144.8-90.40000112.3
136K45Very low46.1Very low206 Ų206163.3 Ų163.390%0.89686%0.858SS**  trans20.8121.5142.8-72.7173.1175.1169.50118.7
137K46.4Very low46.1Very low216 Ų216164.3 Ų164.394%0.93986%0.863SS**  trans-154.1107.3135.1-141.3168.5-174.91720111.9
138G45.9Very low46.4Very low71 Ų71163 Ų16373%0.73286%0.862SS**  trans-88.1147.8165.300000111.2
139K45.7Very low46.6Very low222 Ų222166.4 Ų166.497%0.96587%0.869SS**  trans-177.5130.8146.8-121.7174.9175.4176.70110.4
140G51.2Low46.9Very low73 Ų73166.5 Ų166.575%0.75387%0.869SS**  trans117.579.213700000119.3
141K45.7Very low47.2Very low211 Ų211164.4 Ų164.492%0.91787%0.865SS**  15.5123.9126.9-98.9174.1169.6173.70118
142K51.5Low47.3Very low184 Ų184162 Ų16280%0.886%0.862SS**  -175.1124.6118.7-118.7174.9174.9171.20114.4
143K50.5Low47.6Very low190 Ų190170.2 Ų170.283%0.82688%0.879SS**  trans47.8115.1135.1-69.1-179.5176.5-167.70119.3
144K56.5Low47.9Very low282 Ų282168 Ų168100%1.22688%0.876SS**  -162.2085.8-161.6174.9-177-176.80109.2

Retrieved 144 of 144 residues in 291.9 ms (Link to these results)

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