A0A087YD33_POEFO Loading...

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). Binds directly to 7SL RNA. Mediates binding of SRP54 to the SRP complex.

AlphaFold DB , UniProt , Accession A0A087YD33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 141 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
1M48.6Very low75.8Confident233 Ų233103.8 Ų103.8100%1.14855%0.546SS*.  0134.70-62.3-150.6-150.900107.2H3M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.16Å
2A53.9Low76.8Confident95 Ų95104.9 Ų104.979%0.78555%0.546SS*.  trans-62.7119.8177.100000108.5L4A2-L4 PolarHBondContact O-N 3.2Å
3H61.3Low77.9Confident186 Ų186105.2 Ų105.286%0.86154%0.536SS*.  trans-67.1101.5171.7-92.9-93.2000107.3M1 T5M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.16Å; H3-T5 PolarHBondContact O-N 3.37Å
4L71.1Confident79.1Confident104 Ų10498.4 Ų98.455%0.54550%0.5SS..  trans-63.3133.9167.6-81.1143.7000107.6A2 E12A2-L4 PolarHBondContact O-N 3.2Å; L4-E12 HydrophobicContact CD2-CB 4.19Å
5T78.6Confident80.2Confident51 Ų5192.5 Ų92.531%0.31347%0.471SS..  trans-58.8147.6174.363.40000110.6H3 N7 D10 R13H3-T5 PolarHBondContact O-N 3.37Å; T5-N7 VanDerWaalsContact C-N 3.3Å; T5-D10 WeakPolarHBondContact CB-OD2 3.24Å; T5-D10 WeakPolarHBondContact CG2-OD2 3.39Å; T5-D10 VanDerWaalsContact OG1-CB 3.24Å; T5-D10 WeakPolarHBondContact OG1-CB 2.95Å; T5-D10 VanDerWaalsContact OG1-CG 3.32Å; T5-D10 PolarHBondContact OG1-OD2 3Å; T5-R13 WeakPolarHBondContact O-CD 3.38Å; T5-R13 PolarHBondContact O-NH1 3.16Å
6E83.1Confident81.2Confident178 Ų17888.8 Ų88.883%0.83246%0.455SS*.SBendtrans-71.8-30.2179.6-62.9-163.714300111.9P8E6-P8 WeakPolarHBondContact O-CD 3.38Å
7N86.2Confident82.1Confident53 Ų5383.7 Ų83.728%0.28343%0.429SS..  trans-68.6113.2-178176.314.9000111.5T5 A9 D10 R13 T87T5-N7 VanDerWaalsContact C-N 3.3Å; N7-A9 PolarHBondContact O-N 3.48Å; N7-A9 WeakPolarHBondContact OD1-CB 3.42Å; N7-A9 PolarHBondContact OD1-N 2.74Å; N7-D10 WeakPolarHBondContact CB-OD2 3.23Å; N7-D10 PolarHBondContact ND2-OD1 3.1Å; N7-D10 WeakPolarHBondContact O-CB 3.49Å; N7-D10 PolarHBondContact O-N 2.56Å; N7-D10 VanDerWaalsContact O-N 3.1Å; N7-R13 WeakPolarHBondContact O-CG 3.48Å; N7-T87 WeakPolarHBondContact OD1-CA 3.44Å; N7-T87 WeakPolarHBondContact OD1-CG2 3.32Å
8P84.4Confident83Confident26 Ų2680.2 Ų80.217%0.16941%0.41CS..THydrogen-bonded Turntrans-69.6-12.8-178.132.1-38.8000114E6 D10 K85 Q86E6-P8 WeakPolarHBondContact O-CD 3.38Å; P8-D10 VanDerWaalsContact C-N 3.27Å; P8-K85 HydrophobicContact CB-CB 4Å; P8-K85 HydrophobicContact CG-CB 4.24Å; P8-Q86 VanDerWaalsContact CG-O 3.22Å; P8-Q86 WeakPolarHBondContact CG-O 3.49Å
9A87.8Confident83.6Confident21 Ų2176.2 Ų76.217%0.17439%0.39CS..THydrogen-bonded Turntrans-81.3-4173.400000113.6N7 F14 T87N7-A9 PolarHBondContact O-N 3.48Å; N7-A9 WeakPolarHBondContact OD1-CB 3.42Å; N7-A9 PolarHBondContact OD1-N 2.74Å; A9-F14 VanDerWaalsContact O-CE1 3.22Å; A9-F14 WeakPolarHBondContact O-CE1 3.42Å; A9-T87 HydrophobicContact CB-CG2 3.53Å
10D90.2Very high84.3Confident52 Ų5272.7 Ų72.728%0.27837%0.372SS..SBendtrans-75.2143.6175.7-67.1-19.2000111.3T5 N7 P8 E12 R13 F14T5-D10 WeakPolarHBondContact CB-OD2 3.24Å; T5-D10 WeakPolarHBondContact CG2-OD2 3.39Å; T5-D10 VanDerWaalsContact OG1-CB 3.24Å; T5-D10 WeakPolarHBondContact OG1-CB 2.95Å; T5-D10 VanDerWaalsContact OG1-CG 3.32Å; T5-D10 PolarHBondContact OG1-OD2 3Å; N7-D10 WeakPolarHBondContact CB-OD2 3.23Å; N7-D10 PolarHBondContact ND2-OD1 3.1Å; N7-D10 WeakPolarHBondContact O-CB 3.49Å; N7-D10 PolarHBondContact O-N 2.56Å; N7-D10 VanDerWaalsContact O-N 3.1Å; P8-D10 VanDerWaalsContact C-N 3.27Å; D10-E12 PolarHBondContact O-N 2.94Å; D10-R13 WeakPolarHBondContact O-CB 3.22Å; D10-R13 PolarHBondContact O-N 2.88Å; D10-F14 WeakPolarHBondContact O-CD1 3.33Å; D10-F14 PolarHBondContact O-N 2.98Å
11K88.3Confident84.9Confident143 Ų14370.8 Ų70.862%0.62236%0.36SS*.G310 helixtrans-56-30-175.4-67.1-179.4-176.6175.80112.9R13 F14 Y60 R81K11-R13 VanDerWaalsContact C-N 3.29Å; K11-R13 PolarHBondContact O-N 2.85Å; K11-F14 WeakPolarHBondContact O-CB 3.2Å; K11-F14 PolarHBondContact O-N 3.17Å; K11-Y60 HydrophobicContact CB-CE1 3.75Å; K11-Y60 HydrophobicContact CD-CE1 4.27Å; K11-Y60 HydrophobicContact CG-CD1 4.44Å; K11-Y60 HydrophobicContact CG-CE1 3.91Å; K11-Y60 PolarHBondContact O-OH 3.02Å; K11-Y60 VanDerWaalsContact O-OH 3.09Å; K11-R81 PolarHBondContact O-NH2 3.24Å
12E88.7Confident87.3Confident117 Ų11759.7 Ų59.755%0.54731%0.306SS..G310 helixtrans-69.6-24.8177.6-61.4-179.4174.300113.4L4 D10 R81L4-E12 HydrophobicContact CD2-CB 4.19Å; D10-E12 PolarHBondContact O-N 2.94Å; E12-R81 PolarHBondContact O-NH2 2.65Å
13R90.7Very high89.3Confident109 Ų10955.2 Ų55.241%0.41127%0.269SS..G310 helixtrans-90.1-10.7179.4-65.1-75.6-69.6-117-5.5113.4T5 N7 D10 K11T5-R13 WeakPolarHBondContact O-CD 3.38Å; T5-R13 PolarHBondContact O-NH1 3.16Å; N7-R13 WeakPolarHBondContact O-CG 3.48Å; D10-R13 WeakPolarHBondContact O-CB 3.22Å; D10-R13 PolarHBondContact O-N 2.88Å; K11-R13 VanDerWaalsContact C-N 3.29Å; K11-R13 PolarHBondContact O-N 2.85Å
14F94.6Very high91Very high9 Ų947.8 Ų47.84%0.03924%0.238CC..SBendtrans-57.3152.7177-74.317.7000110.9A9 D10 K11 Y60 R81 V82 Q83A9-F14 VanDerWaalsContact O-CE1 3.22Å; A9-F14 WeakPolarHBondContact O-CE1 3.42Å; D10-F14 WeakPolarHBondContact O-CD1 3.33Å; D10-F14 PolarHBondContact O-N 2.98Å; K11-F14 WeakPolarHBondContact O-CB 3.2Å; K11-F14 PolarHBondContact O-N 3.17Å; F14-Y60 AromaticContact CD2-CD1 3.85Å; F14-Y60 HydrophobicContact CD2-CD1 3.85Å; F14-Y60 AromaticContact CD2-CE1 3.53Å; F14-Y60 HydrophobicContact CD2-CE1 3.53Å; F14-Y60 AromaticContact CE2-CD1 3.99Å; F14-Y60 HydrophobicContact CE2-CD1 3.99Å; F14-Y60 AromaticContact CE2-CE1 3.97Å; F14-Y60 HydrophobicContact CE2-CE1 3.97Å; F14-Y60 HydrophobicContact CG-CE1 4.3Å; F14-R81 HydrophobicContact CB-CB 4.12Å; F14-R81 HydrophobicContact CD2-CB 4.27Å; F14-R81 PolarHBondContact O-NH1 3.28Å; F14-R81 PolarHBondContact O-NH2 2.8Å; F14-V82 WeakPolarHBondContact CA-O 3.5Å; F14-V82 VanDerWaalsContact CB-O 3.31Å; F14-V82 WeakPolarHBondContact CB-O 3.47Å; F14-Q83 HydrophobicContact CD1-CB 4.02Å; F14-Q83 HydrophobicContact CD1-CG 4.11Å; F14-Q83 HydrophobicContact CD2-CB 4.19Å; F14-Q83 HydrophobicContact CE1-CB 3.56Å; F14-Q83 HydrophobicContact CE1-CG 3.44Å; F14-Q83 VanDerWaalsContact CE1-CG 3.44Å; F14-Q83 HydrophobicContact CE2-CB 3.74Å; F14-Q83 HydrophobicContact CE2-CG 4.48Å; F14-Q83 HydrophobicContact CG-CB 4.34Å; F14-Q83 HydrophobicContact CZ-CB 3.43Å; F14-Q83 VanDerWaalsContact CZ-CB 3.43Å; F14-Q83 HydrophobicContact CZ-CG 3.69Å
15I95.5Very high92.2Very high10 Ų1048.9 Ų48.95%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-77.2150.917665.1161.7000109.8V17 R81 V82 L84 R99 V102I15-V17 HydrophobicContact CD1-CG2 4.13Å; I15-R81 VanDerWaalsContact O-CA 3.29Å; I15-R81 WeakPolarHBondContact O-CA 3.22Å; I15-V82 HydrophobicContact CD1-CB 4.17Å; I15-V82 HydrophobicContact CG1-CB 3.71Å; I15-V82 HydrophobicContact CG1-CG2 4.33Å; I15-V82 WeakPolarHBondContact CG1-O 3.34Å; I15-V82 PolarHBondContact N-O 2.87Å; I15-V82 PolarHBondContact O-N 3.2Å; I15-L84 HydrophobicContact CD1-CD1 3.97Å; I15-L84 HydrophobicContact CD1-CD2 4.28Å; I15-L84 HydrophobicContact CD1-CG 3.99Å; I15-L84 HydrophobicContact CG1-CD1 4.41Å; I15-L84 HydrophobicContact CG1-CG 4.2Å; I15-L84 HydrophobicContact CG2-CD1 3.69Å; I15-L84 HydrophobicContact CG2-CG 4.05Å; I15-R99 HydrophobicContact CB-CG 4.06Å; I15-R99 HydrophobicContact CD1-CB 4.28Å; I15-R99 HydrophobicContact CD1-CG 3.85Å; I15-R99 HydrophobicContact CG2-CG 3.79Å; I15-V102 HydrophobicContact CD1-CB 4.46Å; I15-V102 HydrophobicContact CD1-CG1 4.47Å; I15-V102 HydrophobicContact CD1-CG2 4.23Å
16C96Very high93Very high34 Ų3447.4 Ų47.423%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-92.7132.3170.4-62.50000110.4Y18 R79 R81C16-Y18 HydrophobicContact CB-CD2 4.41Å; C16-Y18 HydrophobicContact CB-CE2 4.15Å; C16-R79 HydrophobicContact CB-CG 4.24Å; C16-R81 PolarHBondContact SG-NH1 2.82Å
17V97.1Very high93.6Very high2 Ų242.1 Ų42.11%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-122.8117.1165.8-174.30000107.9I15 I48 V80 V82 V102I15-V17 HydrophobicContact CD1-CG2 4.13Å; V17-I48 HydrophobicContact CG1-CG2 4.09Å; V17-V80 HydrophobicContact CB-CB 4.42Å; V17-V80 PolarHBondContact N-O 3.18Å; V17-V80 PolarHBondContact O-N 3.27Å; V17-V82 HydrophobicContact CG2-CG2 4.12Å; V17-V102 HydrophobicContact CG2-CG1 4.29Å
18Y97.1Very high94Very high21 Ų2144.8 Ų44.88%0.08222%0.221CC..  trans-101148.9172.5-72-89.1000109.8C16 V20 Y21 H66 G78 R79C16-Y18 HydrophobicContact CB-CD2 4.41Å; C16-Y18 HydrophobicContact CB-CE2 4.15Å; Y18-V20 PolarHBondContact O-N 3.45Å; Y18-Y21 HydrophobicContact CD2-CE1 4.15Å; Y18-Y21 AromaticContact CD2-CE2 3.88Å; Y18-Y21 HydrophobicContact CD2-CE2 3.88Å; Y18-Y21 AromaticContact CD2-CZ 3.55Å; Y18-Y21 WeakPolarHBondContact CD2-OH 3.31Å; Y18-Y21 WeakPolarHBondContact O-CB 3.24Å; Y18-Y21 PolarHBondContact O-N 2.86Å; Y18-H66 HydrophobicContact CD1-CB 3.69Å; Y18-H66 AromaticContact CD2-CD2 3.71Å; Y18-H66 HydrophobicContact CE1-CB 3.99Å; Y18-H66 AromaticContact CE2-CD2 4Å; Y18-H66 HydrophobicContact CG-CB 3.97Å; Y18-H66 AromaticContact CG-CD2 3.85Å; Y18-G78 WeakPolarHBondContact CD1-O 3.14Å; Y18-R79 HydrophobicContact CD1-CB 4.07Å; Y18-R79 HydrophobicContact CD1-CG 4.28Å; Y18-R79 HydrophobicContact CD2-CG 4.46Å; Y18-R79 HydrophobicContact CE1-CB 3.77Å; Y18-R79 HydrophobicContact CE1-CG 3.95Å; Y18-R79 HydrophobicContact CE2-CG 4.14Å; Y18-R79 VanDerWaalsContact OH-CD 3.23Å; Y18-R79 WeakPolarHBondContact OH-CD 3.4Å; Y18-R79 PolarHBondContact OH-NH1 3.26Å
19P96.2Very high94.6Very high4 Ų447.1 Ų47.13%0.02624%0.242CC..G310 helixtrans-55.8-37.9177.7-24.633000114.1Y21 I22 N23 P43 C45 I48 G78P19-Y21 PolarHBondContact O-N 2.74Å; P19-I22 WeakPolarHBondContact O-CG1 3.43Å; P19-I22 PolarHBondContact O-N 3.03Å; P19-N23 PolarHBondContact O-N 2.94Å; P19-P43 HydrophobicContact CB-CG 4.43Å; P19-P43 WeakPolarHBondContact CB-O 3.17Å; P19-P43 WeakPolarHBondContact O-CG 3.37Å; P19-C45 HydrophobicContact CG-CB 4.15Å; P19-I48 HydrophobicContact CB-CD1 4.15Å; P19-I48 HydrophobicContact CG-CD1 4.12Å; P19-G78 WeakPolarHBondContact CD-O 3.33Å
20V96.9Very high94.9Very high5 Ų549.4 Ų49.43%0.0325%0.25CC..G310 helixtrans-55.8-26.9178.174.70000113.6Y18 I22 N23 K26 R32 H66Y18-V20 PolarHBondContact O-N 3.45Å; V20-I22 PolarHBondContact O-N 3.48Å; V20-N23 PolarHBondContact O-N 3.46Å; V20-K26 HydrophobicContact CG2-CB 4.19Å; V20-K26 HydrophobicContact CG2-CD 4.32Å; V20-K26 HydrophobicContact CG2-CG 3.9Å; V20-R32 WeakPolarHBondContact O-CA 3.17Å; V20-H66 HydrophobicContact CG1-CB 3.97Å
21Y97.6Very high95.2Very high33 Ų3347 Ų4713%0.12924%0.236CC..G310 helixtrans-64.9-30.2-177.1-66.8-10.7000113.1Y18 P19 G31 R33 H66 M103Y18-Y21 HydrophobicContact CD2-CE1 4.15Å; Y18-Y21 AromaticContact CD2-CE2 3.88Å; Y18-Y21 HydrophobicContact CD2-CE2 3.88Å; Y18-Y21 AromaticContact CD2-CZ 3.55Å; Y18-Y21 WeakPolarHBondContact CD2-OH 3.31Å; Y18-Y21 WeakPolarHBondContact O-CB 3.24Å; Y18-Y21 PolarHBondContact O-N 2.86Å; P19-Y21 PolarHBondContact O-N 2.74Å; Y21-G31 VanDerWaalsContact CD1-O 3.3Å; Y21-G31 WeakPolarHBondContact CD1-O 3.2Å; Y21-R33 HydrophobicContact CD1-CG 3.64Å; Y21-R33 HydrophobicContact CD2-CG 4.29Å; Y21-R33 HydrophobicContact CE1-CG 4.2Å; Y21-R33 HydrophobicContact CG-CB 4.49Å; Y21-R33 HydrophobicContact CG-CG 3.68Å; Y21-R33 PolarHBondContact O-N 3.25Å; Y21-H66 AromaticContact CE1-CD2 3.67Å; Y21-H66 AromaticContact CE1-NE2 3.5Å; Y21-M103 HydrophobicContact CD2-SD 4.07Å; Y21-M103 HydrophobicContact CG-SD 4.31Å
22I97.3Very high95.6Very high0 Ų041.8 Ų41.80%021%0.213CC..G310 helixtrans-116.512-176.258.1158.3000112.3P19 V20 I34 A39 V40 P43 I48 M103 V106 A107 I110P19-I22 WeakPolarHBondContact O-CG1 3.43Å; P19-I22 PolarHBondContact O-N 3.03Å; V20-I22 PolarHBondContact O-N 3.48Å; I22-I34 HydrophobicContact CB-CD1 3.9Å; I22-I34 HydrophobicContact CB-CG1 4.48Å; I22-I34 HydrophobicContact CG2-CD1 3.71Å; I22-I34 HydrophobicContact CG2-CG1 4.23Å; I22-A39 WeakPolarHBondContact O-CB 3.39Å; I22-V40 PolarHBondContact O-N 2.87Å; I22-P43 HydrophobicContact CD1-CB 3.91Å; I22-P43 HydrophobicContact CD1-CG 4.12Å; I22-P43 HydrophobicContact CG1-CB 4.16Å; I22-P43 HydrophobicContact CG1-CG 3.79Å; I22-I48 HydrophobicContact CD1-CD1 4.06Å; I22-I48 HydrophobicContact CD1-CG1 4.09Å; I22-I48 HydrophobicContact CG1-CD1 4.45Å; I22-M103 HydrophobicContact CG2-CB 3.79Å; I22-M103 HydrophobicContact CG2-CG 4.07Å; I22-V106 HydrophobicContact CD1-CB 4.46Å; I22-V106 HydrophobicContact CD1-CG1 3.6Å; I22-A107 HydrophobicContact CB-CB 4.4Å; I22-A107 HydrophobicContact CG2-CB 4.49Å; I22-I110 HydrophobicContact CD1-CD1 3.76Å
23N96.6Very high96Very high1 Ų142 Ų421%0.00521%0.209CC..BIsolated β-bridgetrans-81.9121.1178.7-168.1-15.8000110.8P19 V20 K25 K26 R32 V40 N42 P43P19-N23 PolarHBondContact O-N 2.94Å; V20-N23 PolarHBondContact O-N 3.46Å; N23-K25 VanDerWaalsContact C-N 3.29Å; N23-K25 PolarHBondContact O-N 3.24Å; N23-K25 WeakPolarHBondContact OD1-CB 3.04Å; N23-K25 PolarHBondContact OD1-N 2.72Å; N23-K26 HydrophobicContact CB-CB 4.35Å; N23-K26 HydrophobicContact CB-CG 3.96Å; N23-K26 PolarHBondContact O-N 2.98Å; N23-R32 WeakPolarHBondContact O-CD 3.29Å; N23-V40 CarbonylContact C-O 3.48Å; N23-V40 WeakPolarHBondContact CA-O 3.47Å; N23-N42 PolarHBondContact ND2-OD1 2.69Å; N23-N42 PolarHBondContact OD1-N 2.88Å; N23-P43 HydrophobicContact CB-CG 4.09Å
24S97.2Very high96.3Very high30 Ų3037 Ų3721%0.2119%0.19CC..THydrogen-bonded Turntrans-68.2-26.1178.261.80000113.3K26 V40 E41S24-K26 VanDerWaalsContact C-N 3.25Å; S24-K26 PolarHBondContact O-N 2.77Å; S24-V40 PolarHBondContact N-O 3.44Å; S24-V40 PolarHBondContact OG-O 2.74Å; S24-E41 WeakPolarHBondContact OG-CA 3.43Å; S24-E41 PolarHBondContact OG-N 3.01Å
25K95.6Very high96.4Very high128 Ų12839.1 Ų39.156%0.55721%0.205SC*.THydrogen-bonded Turntrans-77.5-7.1178.9-61.8-67.7-176176.70113.9N23 E41N23-K25 VanDerWaalsContact C-N 3.29Å; N23-K25 PolarHBondContact O-N 3.24Å; N23-K25 WeakPolarHBondContact OD1-CB 3.04Å; N23-K25 PolarHBondContact OD1-N 2.72Å; K25-E41 WeakPolarHBondContact CE-OE1 3.46Å; K25-E41 WeakPolarHBondContact CE-OE2 3.35Å; K25-E41 HydrophobicContact CG-CG 4.16Å; K25-E41 IonicContact NZ-OE1 3.6Å; K25-E41 PolarHBondContact NZ-OE1 3.29Å; K25-E41 IonicContact NZ-OE2 3.98Å
26K95.4Very high96.5Very high20 Ų2041.3 Ų41.39%0.08722%0.219CC..SBendtrans-108.2142.4-178.8-61.4-74.6-168.2173.80109.5V20 N23 S24 E30 R32 E69V20-K26 HydrophobicContact CG2-CB 4.19Å; V20-K26 HydrophobicContact CG2-CD 4.32Å; V20-K26 HydrophobicContact CG2-CG 3.9Å; N23-K26 HydrophobicContact CB-CB 4.35Å; N23-K26 HydrophobicContact CB-CG 3.96Å; N23-K26 PolarHBondContact O-N 2.98Å; S24-K26 VanDerWaalsContact C-N 3.25Å; S24-K26 PolarHBondContact O-N 2.77Å; K26-E30 HydrophobicContact CB-CB 4.27Å; K26-E30 HydrophobicContact CD-CB 4.28Å; K26-R32 WeakPolarHBondContact O-CB 3.31Å; K26-R32 VanDerWaalsContact O-CD 3.27Å; K26-R32 WeakPolarHBondContact O-CD 3.37Å; K26-R32 PolarHBondContact O-NH1 2.98Å; K26-E69 WeakPolarHBondContact CE-OE2 3.38Å; K26-E69 IonicContact NZ-OE1 3.3Å; K26-E69 PolarHBondContact NZ-OE1 3.02Å; K26-E69 IonicContact NZ-OE2 2.78Å; K26-E69 PolarHBondContact NZ-OE2 3.18Å
27T96.5Very high96.5Very high67 Ų6747.3 Ų47.341%0.41124%0.243SC..  trans-78.7169.4174.362.90000111.7A29 E30 G31 R32T27-A29 PolarHBondContact O-N 3.09Å; T27-E30 WeakPolarHBondContact CB-OE2 3.41Å; T27-E30 WeakPolarHBondContact CG2-OE2 3.22Å; T27-E30 PolarHBondContact N-OE2 3.06Å; T27-E30 PolarHBondContact O-N 2.93Å; T27-E30 VanDerWaalsContact OG1-CG 3.28Å; T27-E30 WeakPolarHBondContact OG1-CG 3.5Å; T27-E30 PolarHBondContact OG1-N 3.47Å; T27-E30 PolarHBondContact OG1-OE2 3Å; T27-G31 PolarHBondContact O-N 3.33Å; T27-R32 VanDerWaalsContact O-CB 3.25Å; T27-R32 WeakPolarHBondContact O-CB 3.23Å; T27-R32 PolarHBondContact O-N 3.41Å
28L95.3Very high96.4Very high108 Ų10853.1 Ų53.157%0.56527%0.268SS*.THydrogen-bonded Turntrans-60.3-36.7172-65.9176000111.9G31 R32L28-G31 PolarHBondContact O-N 3Å; L28-R32 HydrophobicContact CD2-CB 4.45Å; L28-R32 VanDerWaalsContact CD2-O 3.31Å; L28-R32 WeakPolarHBondContact CD2-O 3.47Å
29A95.9Very high96.4Very high75 Ų7552.9 Ų52.962%0.6227%0.271SS*.THydrogen-bonded Turntrans-65.5-39.3177.400000111.6T27 G31 R68T27-A29 PolarHBondContact O-N 3.09Å; A29-G31 PolarHBondContact O-N 3.01Å; A29-R68 VanDerWaalsContact O-CD 3.27Å; A29-R68 WeakPolarHBondContact O-CD 3.19Å; A29-R68 PolarHBondContact O-NH1 3Å
30E94.9Very high96.5Very high70 Ų7053.3 Ų53.333%0.32727%0.274SS..THydrogen-bonded Turntrans-74.7-13.1177.7-68.6168123.200113.6K26 T27 R68K26-E30 HydrophobicContact CB-CB 4.27Å; K26-E30 HydrophobicContact CD-CB 4.28Å; T27-E30 WeakPolarHBondContact CB-OE2 3.41Å; T27-E30 WeakPolarHBondContact CG2-OE2 3.22Å; T27-E30 PolarHBondContact N-OE2 3.06Å; T27-E30 PolarHBondContact O-N 2.93Å; T27-E30 VanDerWaalsContact OG1-CG 3.28Å; T27-E30 WeakPolarHBondContact OG1-CG 3.5Å; T27-E30 PolarHBondContact OG1-N 3.47Å; T27-E30 PolarHBondContact OG1-OE2 3Å; E30-R68 VanDerWaalsContact O-CB 3.27Å; E30-R68 WeakPolarHBondContact O-CB 3.34Å
31G95.5Very high96.4Very high0 Ų057.6 Ų57.60%029%0.293CS..THydrogen-bonded Turntrans127.9-0.317000000115.5Y21 T27 L28 A29 R33Y21-G31 VanDerWaalsContact CD1-O 3.3Å; Y21-G31 WeakPolarHBondContact CD1-O 3.2Å; T27-G31 PolarHBondContact O-N 3.33Å; L28-G31 PolarHBondContact O-N 3Å; A29-G31 PolarHBondContact O-N 3.01Å; G31-R33 WeakPolarHBondContact O-CG 3.47Å
32R97.2Very high96.2Very high35 Ų3558 Ų5813%0.13230%0.298CS..  trans-56.5140.4172.4-169.3-17666.1-144.69.7110.1V20 N23 K26 T27 L28 I34 T36V20-R32 WeakPolarHBondContact O-CA 3.17Å; N23-R32 WeakPolarHBondContact O-CD 3.29Å; K26-R32 WeakPolarHBondContact O-CB 3.31Å; K26-R32 VanDerWaalsContact O-CD 3.27Å; K26-R32 WeakPolarHBondContact O-CD 3.37Å; K26-R32 PolarHBondContact O-NH1 2.98Å; T27-R32 VanDerWaalsContact O-CB 3.25Å; T27-R32 WeakPolarHBondContact O-CB 3.23Å; T27-R32 PolarHBondContact O-N 3.41Å; L28-R32 HydrophobicContact CD2-CB 4.45Å; L28-R32 VanDerWaalsContact CD2-O 3.31Å; L28-R32 WeakPolarHBondContact CD2-O 3.47Å; R32-I34 VanDerWaalsContact CD-O 3.23Å; R32-I34 WeakPolarHBondContact CD-O 3.36Å; R32-I34 WeakPolarHBondContact CG-O 3.45Å; R32-I34 PolarHBondContact NE-O 3.35Å; R32-T36 PolarHBondContact NH1-OG1 3.24Å; R32-T36 VanDerWaalsContact NH1-OG1 3.12Å; R32-T36 PolarHBondContact NH2-OG1 3.18Å; R32-T36 VanDerWaalsContact NH2-OG1 3.15Å
33R97.2Very high96.1Very high122 Ų12258 Ų5846%0.4630%0.298SS..  trans-119-9.6-176.8-59.5-58.2-175.5172.31.8114Y21 G31 M103Y21-R33 HydrophobicContact CD1-CG 3.64Å; Y21-R33 HydrophobicContact CD2-CG 4.29Å; Y21-R33 HydrophobicContact CE1-CG 4.2Å; Y21-R33 HydrophobicContact CG-CB 4.49Å; Y21-R33 HydrophobicContact CG-CG 3.68Å; Y21-R33 PolarHBondContact O-N 3.25Å; G31-R33 WeakPolarHBondContact O-CG 3.47Å; R33-M103 HydrophobicContact CB-CE 3.88Å; R33-M103 HydrophobicContact CB-SD 3.73Å; R33-M103 HydrophobicContact CG-SD 4.3Å
34I97.1Very high96Very high3 Ų359.1 Ų59.12%0.01531%0.305CS..SBendtrans-119.9160.217861.5168.5000111.3I22 R32 A39 M103 F104 A107I22-I34 HydrophobicContact CB-CD1 3.9Å; I22-I34 HydrophobicContact CB-CG1 4.48Å; I22-I34 HydrophobicContact CG2-CD1 3.71Å; I22-I34 HydrophobicContact CG2-CG1 4.23Å; R32-I34 VanDerWaalsContact CD-O 3.23Å; R32-I34 WeakPolarHBondContact CD-O 3.36Å; R32-I34 WeakPolarHBondContact CG-O 3.45Å; R32-I34 PolarHBondContact NE-O 3.35Å; I34-A39 HydrophobicContact CD1-CB 3.96Å; I34-A39 HydrophobicContact CG1-CB 4.07Å; I34-M103 HydrophobicContact CG2-CB 3.91Å; I34-M103 HydrophobicContact CG2-CE 4.45Å; I34-F104 HydrophobicContact CB-CD1 4.42Å; I34-F104 HydrophobicContact CB-CE1 3.91Å; I34-F104 HydrophobicContact CG2-CD1 4.13Å; I34-F104 HydrophobicContact CG2-CE1 3.87Å; I34-F104 HydrophobicContact CG2-CZ 4.36Å; I34-A107 HydrophobicContact CD1-CB 3.79Å
35P97.3Very high95.9Very high53 Ų5358.2 Ų58.234%0.34430%0.299SS..  trans-58148.3172.1-22.234.3000111.8E37 K38 A39P35-E37 WeakPolarHBondContact CB-OE2 3.44Å; P35-E37 PolarHBondContact O-N 2.72Å; P35-K38 PolarHBondContact O-N 3.33Å; P35-A39 PolarHBondContact O-N 2.86Å
36T95.9Very high95.8Very high57 Ų5754.1 Ų54.135%0.3529%0.289SS..G310 helixtrans-61.4-35.6-174.9-46.50000111.7R32 K38 A39R32-T36 PolarHBondContact NH1-OG1 3.24Å; R32-T36 VanDerWaalsContact NH1-OG1 3.12Å; R32-T36 PolarHBondContact NH2-OG1 3.18Å; R32-T36 VanDerWaalsContact NH2-OG1 3.15Å; T36-K38 PolarHBondContact O-N 3.22Å; T36-A39 WeakPolarHBondContact O-CB 3.21Å; T36-A39 PolarHBondContact O-N 3.37Å; T36-A39 VanDerWaalsContact O-N 3.09Å
37E96.3Very high95.9Very high159 Ų15954 Ų5474%0.74329%0.289SS*.G310 helixtrans-67.4-24.5-175.8-51.370.4-147.300112P35P35-E37 WeakPolarHBondContact CB-OE2 3.44Å; P35-E37 PolarHBondContact O-N 2.72Å
38K96.4Very high95.9Very high124 Ų12450.9 Ų50.954%0.53927%0.269SS..G310 helixtrans-102-4.4177.6-64.3-174.4175-1720112.5P35 T36 F104 A107P35-K38 PolarHBondContact O-N 3.33Å; T36-K38 PolarHBondContact O-N 3.22Å; K38-F104 HydrophobicContact CB-CD1 4.1Å; K38-F104 HydrophobicContact CB-CE1 3.97Å; K38-F104 HydrophobicContact CD-CD1 3.74Å; K38-F104 HydrophobicContact CD-CE1 3.34Å; K38-F104 HydrophobicContact CD-CZ 4.05Å; K38-F104 HydrophobicContact CG-CE1 4.28Å; K38-A107 WeakPolarHBondContact O-CB 3.27Å
39A96.8Very high95.9Very high17 Ų1750.4 Ų50.414%0.1426%0.26CS..  trans-86.2163.8-178.100000111.4I22 I34 P35 T36I22-A39 WeakPolarHBondContact O-CB 3.39Å; I34-A39 HydrophobicContact CD1-CB 3.96Å; I34-A39 HydrophobicContact CG1-CB 4.07Å; P35-A39 PolarHBondContact O-N 2.86Å; T36-A39 WeakPolarHBondContact O-CB 3.21Å; T36-A39 PolarHBondContact O-N 3.37Å; T36-A39 VanDerWaalsContact O-N 3.09Å
40V96.7Very high95.9Very high13 Ų1350.2 Ų50.28%0.07925%0.249CC..BIsolated β-bridgetrans-115.3147.7-178.5-174.80000109.7I22 N23 S24 N42 P43 A107 I110 P111I22-V40 PolarHBondContact O-N 2.87Å; N23-V40 CarbonylContact C-O 3.48Å; N23-V40 WeakPolarHBondContact CA-O 3.47Å; S24-V40 PolarHBondContact N-O 3.44Å; S24-V40 PolarHBondContact OG-O 2.74Å; V40-N42 PolarHBondContact O-N 3.42Å; V40-P43 WeakPolarHBondContact O-CD 3.37Å; V40-A107 HydrophobicContact CG2-CB 3.95Å; V40-A107 WeakPolarHBondContact CG2-O 3.47Å; V40-I110 HydrophobicContact CG1-CB 4.42Å; V40-I110 HydrophobicContact CG1-CG2 3.86Å; V40-I110 HydrophobicContact CG2-CB 4.44Å; V40-P111 HydrophobicContact CG1-CG 4.27Å; V40-P111 HydrophobicContact CG2-CG 4.01Å
41E94.9Very high96Very high95 Ų9547.2 Ų47.244%0.44424%0.235SC..SBendtrans-74.9123.3176.1179.9163.6-178.700111.9S24 K25 R116S24-E41 WeakPolarHBondContact OG-CA 3.43Å; S24-E41 PolarHBondContact OG-N 3.01Å; K25-E41 WeakPolarHBondContact CE-OE1 3.46Å; K25-E41 WeakPolarHBondContact CE-OE2 3.35Å; K25-E41 HydrophobicContact CG-CG 4.16Å; K25-E41 IonicContact NZ-OE1 3.6Å; K25-E41 PolarHBondContact NZ-OE1 3.29Å; K25-E41 IonicContact NZ-OE2 3.98Å; E41-R116 PolarHBondContact O-NH1 3.34Å
42N93.8Very high96Very high42 Ų4247.2 Ų47.223%0.22524%0.235CC..SBendtrans47.457173.4-64.1-38.9000113.7N23 V40 F76 R116N23-N42 PolarHBondContact ND2-OD1 2.69Å; N23-N42 PolarHBondContact OD1-N 2.88Å; V40-N42 PolarHBondContact O-N 3.42Å; N42-F76 HydrophobicContact CB-CE1 4.49Å; N42-R116 PolarHBondContact O-NH2 2.62Å
43P95.4Very high95.9Very high0 Ų049.2 Ų49.20%025%0.252CS..  trans-66.1145.1176.429.2-32.1000109.7P19 I22 N23 V40 I110P19-P43 HydrophobicContact CB-CG 4.43Å; P19-P43 WeakPolarHBondContact CB-O 3.17Å; P19-P43 WeakPolarHBondContact O-CG 3.37Å; I22-P43 HydrophobicContact CD1-CB 3.91Å; I22-P43 HydrophobicContact CD1-CG 4.12Å; I22-P43 HydrophobicContact CG1-CB 4.16Å; I22-P43 HydrophobicContact CG1-CG 3.79Å; N23-P43 HydrophobicContact CB-CG 4.09Å; V40-P43 WeakPolarHBondContact O-CD 3.37Å; P43-I110 HydrophobicContact CB-CD1 3.97Å
44S94.6Very high95.8Very high23 Ų2347.8 Ų47.816%0.16127%0.265CS..  trans-105.6156.6176.369.10000111.7A46 E47 I48S44-A46 PolarHBondContact O-N 3.03Å; S44-E47 WeakPolarHBondContact CB-OE2 3.41Å; S44-E47 PolarHBondContact N-OE2 2.87Å; S44-E47 PolarHBondContact O-N 2.94Å; S44-E47 VanDerWaalsContact OG-CD 3.24Å; S44-E47 WeakPolarHBondContact OG-CG 3.45Å; S44-E47 PolarHBondContact OG-N 3.32Å; S44-E47 PolarHBondContact OG-OE2 2.82Å; S44-I48 WeakPolarHBondContact O-CG1 3.25Å; S44-I48 PolarHBondContact O-N 2.85Å
45C94.9Very high95.6Very high12 Ų1248.1 Ų48.18%0.08127%0.269CS..Hα-helixtrans-61-31.9176.4-1690000112.7P19 R49 V61 V80P19-C45 HydrophobicContact CG-CB 4.15Å; C45-R49 PolarHBondContact O-N 3.06Å; C45-R49 VanDerWaalsContact O-N 3.11Å; C45-V61 VanDerWaalsContact SG-CG1 3.57Å; C45-V80 WeakPolarHBondContact SG-CG2 3.43Å
46A94.6Very high95.4Very high42 Ų4248.2 Ų48.235%0.34728%0.28SS..Hα-helixtrans-66.9-45.7177.900000111.5S44 I48 R49 D50S44-A46 PolarHBondContact O-N 3.03Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 2.82Å; A46-R49 WeakPolarHBondContact O-CB 3.42Å; A46-R49 PolarHBondContact O-N 3.33Å; A46-D50 WeakPolarHBondContact O-CB 3.27Å; A46-D50 PolarHBondContact O-N 3.21Å
47E95.8Very high95.3Very high18 Ų1846 Ų468%0.08427%0.265CS..Hα-helixtrans-61.8-41.7178.2-69.4165138.300112S44 R49 D50 V51 I110 L113 R116S44-E47 WeakPolarHBondContact CB-OE2 3.41Å; S44-E47 PolarHBondContact N-OE2 2.87Å; S44-E47 PolarHBondContact O-N 2.94Å; S44-E47 VanDerWaalsContact OG-CD 3.24Å; S44-E47 WeakPolarHBondContact OG-CG 3.45Å; S44-E47 PolarHBondContact OG-N 3.32Å; S44-E47 PolarHBondContact OG-OE2 2.82Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.2Å; E47-D50 PolarHBondContact O-N 3.13Å; E47-V51 WeakPolarHBondContact O-CB 3.3Å; E47-V51 WeakPolarHBondContact O-CG2 3.34Å; E47-V51 PolarHBondContact O-N 3.46Å; E47-I110 HydrophobicContact CB-CD1 4.14Å; E47-I110 HydrophobicContact CB-CG1 4.08Å; E47-I110 HydrophobicContact CB-CG2 4.41Å; E47-L113 HydrophobicContact CB-CD1 3.84Å; E47-L113 HydrophobicContact CG-CD1 3.8Å; E47-R116 IonicContact OE1-CZ 3.25Å; E47-R116 VanDerWaalsContact OE1-CZ 3.31Å; E47-R116 IonicContact OE1-NE 3.05Å; E47-R116 PolarHBondContact OE1-NE 2.92Å; E47-R116 IonicContact OE1-NH2 3.31Å; E47-R116 PolarHBondContact OE1-NH2 3.46Å; E47-R116 IonicContact OE2-CZ 2.81Å; E47-R116 IonicContact OE2-NE 2.91Å; E47-R116 IonicContact OE2-NH2 3.89Å; E47-R116 PolarHBondContact OE2-NH2 3.3Å
48I96.7Very high95.2Very high0 Ų042.5 Ų42.50%025%0.252CS..Hα-helixtrans-61.5-45.1177.1-61.6171.6000110.5V17 P19 I22 S44 A46 L52 V80 V106 I110V17-I48 HydrophobicContact CG1-CG2 4.09Å; P19-I48 HydrophobicContact CB-CD1 4.15Å; P19-I48 HydrophobicContact CG-CD1 4.12Å; I22-I48 HydrophobicContact CD1-CD1 4.06Å; I22-I48 HydrophobicContact CD1-CG1 4.09Å; I22-I48 HydrophobicContact CG1-CD1 4.45Å; S44-I48 WeakPolarHBondContact O-CG1 3.25Å; S44-I48 PolarHBondContact O-N 2.85Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 2.82Å; I48-L52 HydrophobicContact CG2-CD1 3.98Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.39Å; I48-L52 PolarHBondContact O-N 2.91Å; I48-V80 HydrophobicContact CB-CG2 3.96Å; I48-V80 HydrophobicContact CG2-CB 4.08Å; I48-V80 HydrophobicContact CG2-CG1 4.34Å; I48-V80 HydrophobicContact CG2-CG2 3.69Å; I48-V106 HydrophobicContact CB-CG1 4.19Å; I48-V106 HydrophobicContact CG1-CG1 3.83Å; I48-V106 HydrophobicContact CG2-CG1 4.06Å; I48-V106 HydrophobicContact CG2-CG2 4.41Å; I48-I110 HydrophobicContact CG1-CD1 4.06Å
49R96.4Very high95.2Very high98 Ų9837.7 Ų37.737%0.3723%0.233SC..Hα-helixtrans-59.2-53175.2176.4-16164.6-153.7-3.3110.3C45 A46 E47 V51 L52 T53 V59 V61C45-R49 PolarHBondContact O-N 3.06Å; C45-R49 VanDerWaalsContact O-N 3.11Å; A46-R49 WeakPolarHBondContact O-CB 3.42Å; A46-R49 PolarHBondContact O-N 3.33Å; E47-R49 VanDerWaalsContact C-N 3.34Å; E47-R49 PolarHBondContact O-N 3.2Å; R49-V51 VanDerWaalsContact C-N 3.33Å; R49-V51 PolarHBondContact O-N 2.98Å; R49-L52 PolarHBondContact O-N 3.47Å; R49-L52 VanDerWaalsContact O-N 3.13Å; R49-T53 WeakPolarHBondContact O-CB 3.22Å; R49-T53 PolarHBondContact O-N 2.92Å; R49-T53 PolarHBondContact O-OG1 2.87Å; R49-V59 HydrophobicContact CG-CG2 3.95Å; R49-V61 HydrophobicContact CB-CG2 3.96Å; R49-V61 HydrophobicContact CG-CG2 4.02Å
50D95.3Very high95.1Very high72 Ų7239.5 Ų39.539%0.38524%0.236SC..Hα-helixtrans-63-40.8-171.7-64-12.6000111.6A46 E47 A54A46-D50 WeakPolarHBondContact O-CB 3.27Å; A46-D50 PolarHBondContact O-N 3.21Å; E47-D50 PolarHBondContact O-N 3.13Å; D50-A54 VanDerWaalsContact O-CB 3.22Å; D50-A54 WeakPolarHBondContact O-CB 3.44Å; D50-A54 PolarHBondContact O-N 3.17Å
51V96.6Very high95Very high6 Ų642 Ų424%0.03625%0.251CS..Hα-helixtrans-62.2-44.2174.4167.30000111.9E47 R49 A55 Y105 V106 M109 I110 L113E47-V51 WeakPolarHBondContact O-CB 3.3Å; E47-V51 WeakPolarHBondContact O-CG2 3.34Å; E47-V51 PolarHBondContact O-N 3.46Å; R49-V51 VanDerWaalsContact C-N 3.33Å; R49-V51 PolarHBondContact O-N 2.98Å; V51-A55 WeakPolarHBondContact O-CB 3.31Å; V51-A55 PolarHBondContact O-N 2.96Å; V51-Y105 HydrophobicContact CG1-CD1 4.05Å; V51-Y105 HydrophobicContact CG1-CE1 3.71Å; V51-V106 HydrophobicContact CG1-CG2 4.25Å; V51-M109 HydrophobicContact CB-CB 4.48Å; V51-M109 HydrophobicContact CG1-CB 3.56Å; V51-M109 HydrophobicContact CG1-CG 4.19Å; V51-M109 HydrophobicContact CG2-CB 4.03Å; V51-I110 HydrophobicContact CG2-CG1 4.08Å; V51-L113 HydrophobicContact CG2-CD1 4.05Å; V51-L113 HydrophobicContact CG2-CD2 3.98Å; V51-L113 HydrophobicContact CG2-CG 4.2Å
52L95.8Very high95Very high0 Ų039.5 Ų39.50%024%0.24CC..Hα-helixtrans-74.1-37.6-178-69.8174.1000112.5I48 R49 A55 G56 M57 V59 V80 V82 V102 V106I48-L52 HydrophobicContact CG2-CD1 3.98Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.39Å; I48-L52 PolarHBondContact O-N 2.91Å; R49-L52 PolarHBondContact O-N 3.47Å; R49-L52 VanDerWaalsContact O-N 3.13Å; L52-A55 WeakPolarHBondContact O-CB 3.31Å; L52-A55 PolarHBondContact O-N 3.44Å; L52-G56 PolarHBondContact O-N 3.34Å; L52-M57 HydrophobicContact CB-CB 4.35Å; L52-M57 WeakPolarHBondContact O-CB 3.42Å; L52-M57 PolarHBondContact O-N 2.78Å; L52-V59 HydrophobicContact CB-CG1 3.71Å; L52-V59 HydrophobicContact CD1-CG1 4.18Å; L52-V80 HydrophobicContact CD1-CG1 4.3Å; L52-V82 HydrophobicContact CD1-CG2 3.59Å; L52-V102 HydrophobicContact CD1-CG1 4.12Å; L52-V102 HydrophobicContact CD2-CG1 3.83Å; L52-V106 HydrophobicContact CD1-CG2 4.02Å; L52-V106 HydrophobicContact CD2-CG2 3.59Å; L52-V106 HydrophobicContact CG-CG2 3.67Å
53T95.4Very high95Very high78 Ų7842.7 Ų42.748%0.47926%0.257SS..Hα-helixtrans-61.7-45.4171.8-59.10000110.4R49 A55 G56 V59R49-T53 WeakPolarHBondContact O-CB 3.22Å; R49-T53 PolarHBondContact O-N 2.92Å; R49-T53 PolarHBondContact O-OG1 2.87Å; T53-A55 PolarHBondContact O-N 3.35Å; T53-G56 PolarHBondContact O-N 3Å; T53-V59 WeakPolarHBondContact OG1-CG2 3.22Å
54A94.4Very high94.9Very high91 Ų9148.1 Ų48.175%0.75228%0.28SS*.Hα-helixtrans-63.5-29.5176.100000112.7D50 G56D50-A54 VanDerWaalsContact O-CB 3.22Å; D50-A54 WeakPolarHBondContact O-CB 3.44Å; D50-A54 PolarHBondContact O-N 3.17Å; A54-G56 PolarHBondContact O-N 2.85Å
55A93.2Very high94.9Very high11 Ų1150 Ų509%0.09129%0.287CS..THydrogen-bonded Turntrans-74.5-5172.900000113.7V51 L52 T53 Q93 F96 Y105V51-A55 WeakPolarHBondContact O-CB 3.31Å; V51-A55 PolarHBondContact O-N 2.96Å; L52-A55 WeakPolarHBondContact O-CB 3.31Å; L52-A55 PolarHBondContact O-N 3.44Å; T53-A55 PolarHBondContact O-N 3.35Å; A55-Q93 PolarHBondContact O-NE2 3.03Å; A55-Q93 PolarHBondContact O-OE1 3.37Å; A55-F96 HydrophobicContact CB-CE2 4.25Å; A55-F96 HydrophobicContact CB-CZ 4.27Å; A55-Y105 HydrophobicContact CB-CE1 3.66Å
56G93.4Very high94.9Very high55 Ų5550 Ų5057%0.56729%0.286SS*.THydrogen-bonded Turntrans83.122.5-17900000114.1L52 T53 A54 Q93L52-G56 PolarHBondContact O-N 3.34Å; T53-G56 PolarHBondContact O-N 3Å; A54-G56 PolarHBondContact O-N 2.85Å; G56-Q93 PolarHBondContact O-NE2 3.2Å
57M93.9Very high94.8Very high10 Ų1053.7 Ų53.75%0.04931%0.306CS..  trans-90.3143.4176.9-62.9-63.8-78.300111.3L52 V59 V82 Q83 L84 C92 Q93 F96L52-M57 HydrophobicContact CB-CB 4.35Å; L52-M57 WeakPolarHBondContact O-CB 3.42Å; L52-M57 PolarHBondContact O-N 2.78Å; M57-V59 HydrophobicContact CB-CG1 4.13Å; M57-V59 PolarHBondContact O-N 3.07Å; M57-V82 HydrophobicContact CB-CG1 4.35Å; M57-V82 HydrophobicContact CE-CG1 3.79Å; M57-Q83 WeakPolarHBondContact CE-O 3.23Å; M57-L84 HydrophobicContact CE-CD2 4.08Å; M57-C92 HydrophobicContact SD-CB 4.49Å; M57-Q93 HydrophobicContact SD-CB 4.22Å; M57-Q93 HydrophobicContact SD-CG 3.89Å; M57-F96 HydrophobicContact CE-CB 4.33Å; M57-F96 HydrophobicContact CE-CD2 3.68Å; M57-F96 HydrophobicContact CE-CE2 4.4Å; M57-F96 HydrophobicContact CE-CG 4.32Å; M57-F96 HydrophobicContact CG-CD2 3.89Å; M57-F96 HydrophobicContact CG-CE2 3.64Å; M57-F96 HydrophobicContact SD-CD2 3.38Å; M57-F96 WeakPolarHBondContact SD-CD2 3.43Å; M57-F96 HydrophobicContact SD-CE2 3.72Å
58N94.3Very high94.6Very high85 Ų8559.1 Ų59.146%0.45533%0.326SS..  trans-76.6114.3170-175.113.5000109.8Q83N58-Q83 HydrophobicContact CB-CB 3.93Å; N58-Q83 PolarHBondContact ND2-OE1 3.21Å; N58-Q83 PolarHBondContact O-N 3.23Å
59V96Very high94.4Very high23 Ų2359.7 Ų59.714%0.13933%0.329CS..EExtended strand (participates in β ladder)trans-133.3149.2-177-59.60000112.2R49 L52 T53 M57 V80 R81 V82R49-V59 HydrophobicContact CG-CG2 3.95Å; L52-V59 HydrophobicContact CB-CG1 3.71Å; L52-V59 HydrophobicContact CD1-CG1 4.18Å; T53-V59 WeakPolarHBondContact OG1-CG2 3.22Å; M57-V59 HydrophobicContact CB-CG1 4.13Å; M57-V59 PolarHBondContact O-N 3.07Å; V59-V80 HydrophobicContact CB-CG1 4.16Å; V59-V80 HydrophobicContact CG1-CG1 4.36Å; V59-R81 VanDerWaalsContact CA-O 3.22Å; V59-R81 WeakPolarHBondContact CA-O 3.37Å; V59-V82 HydrophobicContact CG1-CB 4.29Å; V59-V82 HydrophobicContact CG1-CG1 4.04Å; V59-V82 HydrophobicContact CG1-CG2 3.97Å
60Y94.6Very high94Very high56 Ų5664.1 Ų64.122%0.2235%0.346CS..EExtended strand (participates in β ladder)trans-141.2157.2166.472.3-87.5000110.8K11 F14 E62 R81K11-Y60 HydrophobicContact CB-CE1 3.75Å; K11-Y60 HydrophobicContact CD-CE1 4.27Å; K11-Y60 HydrophobicContact CG-CD1 4.44Å; K11-Y60 HydrophobicContact CG-CE1 3.91Å; K11-Y60 PolarHBondContact O-OH 3.02Å; K11-Y60 VanDerWaalsContact O-OH 3.09Å; F14-Y60 AromaticContact CD2-CD1 3.85Å; F14-Y60 HydrophobicContact CD2-CD1 3.85Å; F14-Y60 AromaticContact CD2-CE1 3.53Å; F14-Y60 HydrophobicContact CD2-CE1 3.53Å; F14-Y60 AromaticContact CE2-CD1 3.99Å; F14-Y60 HydrophobicContact CE2-CD1 3.99Å; F14-Y60 AromaticContact CE2-CE1 3.97Å; F14-Y60 HydrophobicContact CE2-CE1 3.97Å; F14-Y60 HydrophobicContact CG-CE1 4.3Å; Y60-E62 HydrophobicContact CD2-CG 3.96Å; Y60-E62 HydrophobicContact CE2-CG 3.49Å; Y60-E62 VanDerWaalsContact CE2-CG 3.49Å; Y60-E62 WeakPolarHBondContact CE2-OE1 3.48Å; Y60-E62 PolarHBondContact OH-OE1 3.11Å; Y60-R81 HydrophobicContact CD1-CB 3.65Å; Y60-R81 HydrophobicContact CD2-CB 4.17Å; Y60-R81 HydrophobicContact CD2-CG 4.36Å; Y60-R81 HydrophobicContact CE1-CB 3.22Å; Y60-R81 HydrophobicContact CE1-CG 3.95Å; Y60-R81 HydrophobicContact CE2-CB 3.82Å; Y60-R81 HydrophobicContact CE2-CG 3.71Å; Y60-R81 HydrophobicContact CG-CB 4.09Å; Y60-R81 VanDerWaalsContact CZ-CG 3.43Å; Y60-R81 PolarHBondContact N-O 3.29Å; Y60-R81 PolarHBondContact O-N 2.9Å; Y60-R81 WeakPolarHBondContact OH-CG 3.14Å; Y60-R81 PolarHBondContact OH-NE 3.3Å
61V95.5Very high93.7Very high65 Ų6562.2 Ų62.239%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-110.3135.4-175.9178.30000109.8C45 R49 R79 V80C45-V61 VanDerWaalsContact SG-CG1 3.57Å; R49-V61 HydrophobicContact CB-CG2 3.96Å; R49-V61 HydrophobicContact CG-CG2 4.02Å; V61-R79 WeakPolarHBondContact CA-O 3.27Å; V61-V80 HydrophobicContact CG2-CG2 4.44Å
62E95Very high93.2Very high43 Ų4371.9 Ų71.920%0.20137%0.371CS..EExtended strand (participates in β ladder)trans-115.4144.1173.7-61.3173.716400110.4Y60 K64 G78 R79 R81Y60-E62 HydrophobicContact CD2-CG 3.96Å; Y60-E62 HydrophobicContact CE2-CG 3.49Å; Y60-E62 VanDerWaalsContact CE2-CG 3.49Å; Y60-E62 WeakPolarHBondContact CE2-OE1 3.48Å; Y60-E62 PolarHBondContact OH-OE1 3.11Å; E62-K64 HydrophobicContact CB-CG 3.96Å; E62-K64 PolarHBondContact O-N 3.49Å; E62-G78 WeakPolarHBondContact O-CA 3.43Å; E62-R79 HydrophobicContact CB-CB 4.43Å; E62-R79 PolarHBondContact N-O 2.83Å; E62-R79 PolarHBondContact O-N 3.34Å; E62-R79 IonicContact OE1-NH2 3.82Å; E62-R79 IonicContact OE2-CZ 3.04Å; E62-R79 IonicContact OE2-NE 2.69Å; E62-R79 PolarHBondContact OE2-NE 3.21Å; E62-R79 IonicContact OE2-NH2 2.62Å; E62-R79 PolarHBondContact OE2-NH2 3.35Å; E62-R81 HydrophobicContact CG-CG 4.18Å
63N93.6Very high92.9Very high109 Ų10976.3 Ų76.358%0.58340%0.395SS*.  trans-79.757.7177.2-165.115.7000112.2R77N63-R77 PolarHBondContact ND2-NH2 3.39Å; N63-R77 WeakPolarHBondContact OD1-CD 3.35Å; N63-R77 PolarHBondContact OD1-NE 3.08Å
64K94Very high92.5Very high114 Ų11479 Ų7950%0.49641%0.411SS..  trans-111.4153.7-178.2-63.5-68.9-176.8177.90110.8E62 G78 R79E62-K64 HydrophobicContact CB-CG 3.96Å; E62-K64 PolarHBondContact O-N 3.49Å; K64-G78 CarbonylContact O-C 3.58Å; K64-G78 VanDerWaalsContact O-C 3.28Å; K64-G78 VanDerWaalsContact O-CA 3.25Å; K64-G78 WeakPolarHBondContact O-CA 3.49Å; K64-G78 PolarHBondContact O-N 3.19Å; K64-R79 HydrophobicContact CB-CB 3.99Å
65M93.1Very high92.1Very high61 Ų6179.5 Ų79.530%0.340%0.397SS..  trans-109.7146.7176.7-168.1168.4-77.600109.4E69 R72 R77M65-E69 HydrophobicContact CG-CB 4.4Å; M65-R72 HydrophobicContact CE-CB 4.2Å; M65-R72 HydrophobicContact CE-CG 4.16Å; M65-R72 HydrophobicContact SD-CG 4.37Å; M65-R77 HydrophobicContact CE-CG 4.31Å
66H94.4Very high91.9Very high13 Ų1380.5 Ų80.56%0.0640%0.4CS..  trans-73.6135.1172.2-175.6-96.3000108.9Y18 V20 Y21 R68 E69Y18-H66 HydrophobicContact CD1-CB 3.69Å; Y18-H66 AromaticContact CD2-CD2 3.71Å; Y18-H66 HydrophobicContact CE1-CB 3.99Å; Y18-H66 AromaticContact CE2-CD2 4Å; Y18-H66 HydrophobicContact CG-CB 3.97Å; Y18-H66 AromaticContact CG-CD2 3.85Å; V20-H66 HydrophobicContact CG1-CB 3.97Å; Y21-H66 AromaticContact CE1-CD2 3.67Å; Y21-H66 AromaticContact CE1-NE2 3.5Å; H66-R68 PolarHBondContact ND1-N 2.92Å; H66-R68 VanDerWaalsContact ND1-N 3.17Å; H66-R68 PolarHBondContact O-N 3.13Å; H66-R68 VanDerWaalsContact O-N 3.08Å; H66-E69 HydrophobicContact CB-CB 4.08Å; H66-E69 WeakPolarHBondContact O-CB 3.47Å; H66-E69 PolarHBondContact O-N 3.33Å
67P93.1Very high91.8Very high119 Ų11982.9 Ų82.977%0.77339%0.392SS*.THydrogen-bonded Turntrans-58.9-26.7-175-27.235.2000115.2
68R92.8Very high91.8Very high133 Ų13382.6 Ų82.650%0.50239%0.392SS..THydrogen-bonded Turntrans-93.4-3.2177.1-54.4-174.5-176.6171.6-1113.8A29 E30 H66 W70A29-R68 VanDerWaalsContact O-CD 3.27Å; A29-R68 WeakPolarHBondContact O-CD 3.19Å; A29-R68 PolarHBondContact O-NH1 3Å; E30-R68 VanDerWaalsContact O-CB 3.27Å; E30-R68 WeakPolarHBondContact O-CB 3.34Å; H66-R68 PolarHBondContact ND1-N 2.92Å; H66-R68 VanDerWaalsContact ND1-N 3.17Å; H66-R68 PolarHBondContact O-N 3.13Å; H66-R68 VanDerWaalsContact O-N 3.08Å; R68-W70 PolarHBondContact O-N 3.37Å
69E91.7Very high91.9Very high11 Ų1181 Ų815%0.05138%0.379CS..  trans-83.8115173.3-17556.7-98.300108.6K26 M65 H66 N71 F76K26-E69 WeakPolarHBondContact CE-OE2 3.38Å; K26-E69 IonicContact NZ-OE1 3.3Å; K26-E69 PolarHBondContact NZ-OE1 3.02Å; K26-E69 IonicContact NZ-OE2 2.78Å; K26-E69 PolarHBondContact NZ-OE2 3.18Å; M65-E69 HydrophobicContact CG-CB 4.4Å; H66-E69 HydrophobicContact CB-CB 4.08Å; H66-E69 WeakPolarHBondContact O-CB 3.47Å; H66-E69 PolarHBondContact O-N 3.33Å; E69-N71 PolarHBondContact OE1-N 3.45Å; E69-F76 HydrophobicContact CG-CB 4.01Å
70W88Confident92Very high192 Ų19279.9 Ų79.973%0.72737%0.373SS*.  trans-88.2-26.9-179.464.3-95.1000111.6R68 R72R68-W70 PolarHBondContact O-N 3.37Å; W70-R72 PolarHBondContact O-N 3.24Å
71N88.6Confident92.1Very high31 Ų3178.2 Ų78.217%0.16637%0.366CS..  trans-76123-179.5-170-16000110.3E69 D73 F76E69-N71 PolarHBondContact OE1-N 3.45Å; N71-D73 PolarHBondContact ND2-OD2 3.43Å; N71-D73 WeakPolarHBondContact OD1-CB 3.36Å; N71-D73 PolarHBondContact OD1-N 3.28Å; N71-D73 PolarHBondContact OD1-OD1 2.91Å; N71-D73 PolarHBondContact OD1-OD2 3.03Å; N71-D73 VanDerWaalsContact OD1-OD2 3.05Å; N71-F76 HydrophobicContact CB-CD2 3.86Å; N71-F76 HydrophobicContact CB-CE2 4.38Å; N71-F76 WeakPolarHBondContact ND2-CD2 3.49Å; N71-F76 WeakPolarHBondContact ND2-CE2 3.25Å
72R87.5Confident92.1Very high210 Ų21075.1 Ų75.179%0.79235%0.347SS*.  trans-90.92.4-178-60.8-170.4179.3-157.61114.2M65 W70M65-R72 HydrophobicContact CE-CB 4.2Å; M65-R72 HydrophobicContact CE-CG 4.16Å; M65-R72 HydrophobicContact SD-CG 4.37Å; W70-R72 PolarHBondContact O-N 3.24Å
73D88.8Confident92.2Very high93 Ų9374.3 Ų74.350%0.49734%0.343SS..SBendtrans-58.2145.3176.2-64.1-25.3000111.2N71 Q75 F76 R77N71-D73 PolarHBondContact ND2-OD2 3.43Å; N71-D73 WeakPolarHBondContact OD1-CB 3.36Å; N71-D73 PolarHBondContact OD1-N 3.28Å; N71-D73 PolarHBondContact OD1-OD1 2.91Å; N71-D73 PolarHBondContact OD1-OD2 3.03Å; N71-D73 VanDerWaalsContact OD1-OD2 3.05Å; D73-Q75 PolarHBondContact O-N 2.78Å; D73-Q75 VanDerWaalsContact O-N 3.08Å; D73-F76 HydrophobicContact CB-CD2 4.04Å; D73-F76 HydrophobicContact CB-CE2 4.44Å; D73-F76 PolarHBondContact O-N 3.39Å; D73-F76 VanDerWaalsContact O-N 3.08Å; D73-R77 PolarHBondContact O-N 2.91Å
74V86.3Confident92.2Very high133 Ų13370.2 Ų70.281%0.80632%0.321SS*.G310 helixtrans-57.4-30.2-177-179.40000111.7F76 R77V74-F76 VanDerWaalsContact C-N 3.35Å; V74-F76 PolarHBondContact O-N 2.8Å; V74-R77 PolarHBondContact O-N 3.48Å
75Q86.4Confident92.1Very high102 Ų10269.7 Ų69.748%0.47732%0.319SS..G310 helixtrans-63.7-35.4179.7-177.6174.9-45.100113.6D73D73-Q75 PolarHBondContact O-N 2.78Å; D73-Q75 VanDerWaalsContact O-N 3.08Å
76F88.3Confident92Very high33 Ų3371.1 Ų71.115%0.14533%0.325CS..G310 helixtrans-93.7-6.3-178.4-56.6-68.4000112.8N42 E69 N71 D73 V74N42-F76 HydrophobicContact CB-CE1 4.49Å; E69-F76 HydrophobicContact CG-CB 4.01Å; N71-F76 HydrophobicContact CB-CD2 3.86Å; N71-F76 HydrophobicContact CB-CE2 4.38Å; N71-F76 WeakPolarHBondContact ND2-CD2 3.49Å; N71-F76 WeakPolarHBondContact ND2-CE2 3.25Å; D73-F76 HydrophobicContact CB-CD2 4.04Å; D73-F76 HydrophobicContact CB-CE2 4.44Å; D73-F76 PolarHBondContact O-N 3.39Å; D73-F76 VanDerWaalsContact O-N 3.08Å; V74-F76 VanDerWaalsContact C-N 3.35Å; V74-F76 PolarHBondContact O-N 2.8Å
77R91.9Very high91.9Very high104 Ų10475.3 Ų75.339%0.39235%0.352SS..  trans-83.3145.7176.9-165.4173.7-169.3-170.8-4.9111N63 M65 D73 V74N63-R77 PolarHBondContact ND2-NH2 3.39Å; N63-R77 WeakPolarHBondContact OD1-CD 3.35Å; N63-R77 PolarHBondContact OD1-NE 3.08Å; M65-R77 HydrophobicContact CE-CG 4.31Å; D73-R77 PolarHBondContact O-N 2.91Å; V74-R77 PolarHBondContact O-N 3.48Å
78G94.4Very high91.7Very high5 Ų575.2 Ų75.25%0.05235%0.345CS..  trans126.5151.7173.400000112.9Y18 P19 E62 K64Y18-G78 WeakPolarHBondContact CD1-O 3.14Å; P19-G78 WeakPolarHBondContact CD-O 3.33Å; E62-G78 WeakPolarHBondContact O-CA 3.43Å; K64-G78 CarbonylContact O-C 3.58Å; K64-G78 VanDerWaalsContact O-C 3.28Å; K64-G78 VanDerWaalsContact O-CA 3.25Å; K64-G78 WeakPolarHBondContact O-CA 3.49Å; K64-G78 PolarHBondContact O-N 3.19Å
79R96.9Very high91.4Very high51 Ų5170.5 Ų70.519%0.19234%0.338CS..EExtended strand (participates in β ladder)trans-134.3123.5173.3-179166.782.6174.13.3108.9C16 Y18 V61 E62 K64C16-R79 HydrophobicContact CB-CG 4.24Å; Y18-R79 HydrophobicContact CD1-CB 4.07Å; Y18-R79 HydrophobicContact CD1-CG 4.28Å; Y18-R79 HydrophobicContact CD2-CG 4.46Å; Y18-R79 HydrophobicContact CE1-CB 3.77Å; Y18-R79 HydrophobicContact CE1-CG 3.95Å; Y18-R79 HydrophobicContact CE2-CG 4.14Å; Y18-R79 VanDerWaalsContact OH-CD 3.23Å; Y18-R79 WeakPolarHBondContact OH-CD 3.4Å; Y18-R79 PolarHBondContact OH-NH1 3.26Å; V61-R79 WeakPolarHBondContact CA-O 3.27Å; E62-R79 HydrophobicContact CB-CB 4.43Å; E62-R79 PolarHBondContact N-O 2.83Å; E62-R79 PolarHBondContact O-N 3.34Å; E62-R79 IonicContact OE1-NH2 3.82Å; E62-R79 IonicContact OE2-CZ 3.04Å; E62-R79 IonicContact OE2-NE 2.69Å; E62-R79 PolarHBondContact OE2-NE 3.21Å; E62-R79 IonicContact OE2-NH2 2.62Å; E62-R79 PolarHBondContact OE2-NH2 3.35Å; K64-R79 HydrophobicContact CB-CB 3.99Å
80V97.1Very high91.4Very high0 Ų072.1 Ų72.10%035%0.35CS..EExtended strand (participates in β ladder)trans-89.8130.6172.7-173.30000108.5V17 C45 I48 L52 V59 V61 V82V17-V80 HydrophobicContact CB-CB 4.42Å; V17-V80 PolarHBondContact N-O 3.18Å; V17-V80 PolarHBondContact O-N 3.27Å; C45-V80 WeakPolarHBondContact SG-CG2 3.43Å; I48-V80 HydrophobicContact CB-CG2 3.96Å; I48-V80 HydrophobicContact CG2-CB 4.08Å; I48-V80 HydrophobicContact CG2-CG1 4.34Å; I48-V80 HydrophobicContact CG2-CG2 3.69Å; L52-V80 HydrophobicContact CD1-CG1 4.3Å; V59-V80 HydrophobicContact CB-CG1 4.16Å; V59-V80 HydrophobicContact CG1-CG1 4.36Å; V61-V80 HydrophobicContact CG2-CG2 4.44Å; V80-V82 HydrophobicContact CG1-CG2 3.92Å
81R97.1Very high91.6Very high21 Ų2165.3 Ų65.38%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-107.2126.3175.3-65-75.3-67.2173.80.7107.7K11 E12 F14 I15 C16 V59 Y60 E62K11-R81 PolarHBondContact O-NH2 3.24Å; E12-R81 PolarHBondContact O-NH2 2.65Å; F14-R81 HydrophobicContact CB-CB 4.12Å; F14-R81 HydrophobicContact CD2-CB 4.27Å; F14-R81 PolarHBondContact O-NH1 3.28Å; F14-R81 PolarHBondContact O-NH2 2.8Å; I15-R81 VanDerWaalsContact O-CA 3.29Å; I15-R81 WeakPolarHBondContact O-CA 3.22Å; C16-R81 PolarHBondContact SG-NH1 2.82Å; V59-R81 VanDerWaalsContact CA-O 3.22Å; V59-R81 WeakPolarHBondContact CA-O 3.37Å; Y60-R81 HydrophobicContact CD1-CB 3.65Å; Y60-R81 HydrophobicContact CD2-CB 4.17Å; Y60-R81 HydrophobicContact CD2-CG 4.36Å; Y60-R81 HydrophobicContact CE1-CB 3.22Å; Y60-R81 HydrophobicContact CE1-CG 3.95Å; Y60-R81 HydrophobicContact CE2-CB 3.82Å; Y60-R81 HydrophobicContact CE2-CG 3.71Å; Y60-R81 HydrophobicContact CG-CB 4.09Å; Y60-R81 VanDerWaalsContact CZ-CG 3.43Å; Y60-R81 PolarHBondContact N-O 3.29Å; Y60-R81 PolarHBondContact O-N 2.9Å; Y60-R81 WeakPolarHBondContact OH-CG 3.14Å; Y60-R81 PolarHBondContact OH-NE 3.3Å; E62-R81 HydrophobicContact CG-CG 4.18Å
82V96.2Very high91.7Very high0 Ų065.7 Ų65.70%033%0.332CS..EExtended strand (participates in β ladder)trans-125129.3-171.9-171.50000110.1F14 I15 V17 L52 M57 V59 V80 L84F14-V82 WeakPolarHBondContact CA-O 3.5Å; F14-V82 VanDerWaalsContact CB-O 3.31Å; F14-V82 WeakPolarHBondContact CB-O 3.47Å; I15-V82 HydrophobicContact CD1-CB 4.17Å; I15-V82 HydrophobicContact CG1-CB 3.71Å; I15-V82 HydrophobicContact CG1-CG2 4.33Å; I15-V82 WeakPolarHBondContact CG1-O 3.34Å; I15-V82 PolarHBondContact N-O 2.87Å; I15-V82 PolarHBondContact O-N 3.2Å; V17-V82 HydrophobicContact CG2-CG2 4.12Å; L52-V82 HydrophobicContact CD1-CG2 3.59Å; M57-V82 HydrophobicContact CB-CG1 4.35Å; M57-V82 HydrophobicContact CE-CG1 3.79Å; V59-V82 HydrophobicContact CG1-CB 4.29Å; V59-V82 HydrophobicContact CG1-CG1 4.04Å; V59-V82 HydrophobicContact CG1-CG2 3.97Å; V80-V82 HydrophobicContact CG1-CG2 3.92Å; V82-L84 PolarHBondContact O-N 3.4Å
83Q95.2Very high91.9Very high25 Ų2557.9 Ų57.912%0.11731%0.305CS..  trans-75.6119.8170.3-164.9175.4-4.700109.7F14 M57 N58 K85F14-Q83 HydrophobicContact CD1-CB 4.02Å; F14-Q83 HydrophobicContact CD1-CG 4.11Å; F14-Q83 HydrophobicContact CD2-CB 4.19Å; F14-Q83 HydrophobicContact CE1-CB 3.56Å; F14-Q83 HydrophobicContact CE1-CG 3.44Å; F14-Q83 VanDerWaalsContact CE1-CG 3.44Å; F14-Q83 HydrophobicContact CE2-CB 3.74Å; F14-Q83 HydrophobicContact CE2-CG 4.48Å; F14-Q83 HydrophobicContact CG-CB 4.34Å; F14-Q83 HydrophobicContact CZ-CB 3.43Å; F14-Q83 VanDerWaalsContact CZ-CB 3.43Å; F14-Q83 HydrophobicContact CZ-CG 3.69Å; M57-Q83 WeakPolarHBondContact CE-O 3.23Å; N58-Q83 HydrophobicContact CB-CB 3.93Å; N58-Q83 PolarHBondContact ND2-OE1 3.21Å; N58-Q83 PolarHBondContact O-N 3.23Å; Q83-K85 VanDerWaalsContact CG-O 3.24Å; Q83-K85 WeakPolarHBondContact CG-O 2.96Å; Q83-K85 PolarHBondContact NE2-O 3.4Å
84L93.5Very high92Very high24 Ų2460.1 Ų60.113%0.12632%0.316CS..  trans-98-29.4171.8-77-172000113I15 M57 V82 L91 C92 F96 R99 V102I15-L84 HydrophobicContact CD1-CD1 3.97Å; I15-L84 HydrophobicContact CD1-CD2 4.28Å; I15-L84 HydrophobicContact CD1-CG 3.99Å; I15-L84 HydrophobicContact CG1-CD1 4.41Å; I15-L84 HydrophobicContact CG1-CG 4.2Å; I15-L84 HydrophobicContact CG2-CD1 3.69Å; I15-L84 HydrophobicContact CG2-CG 4.05Å; M57-L84 HydrophobicContact CE-CD2 4.08Å; V82-L84 PolarHBondContact O-N 3.4Å; L84-L91 WeakPolarHBondContact O-CA 3.28Å; L84-C92 PolarHBondContact O-N 3.06Å; L84-F96 HydrophobicContact CD2-CB 4.06Å; L84-R99 HydrophobicContact CD1-CG 4.44Å; L84-V102 HydrophobicContact CD2-CG2 3.73Å
85K92.8Very high92.2Very high103 Ų10359.1 Ų59.145%0.44830%0.301SS..BIsolated β-bridgetrans-125.6144.2-172.9-67-175.9176.9-1650111.3P8 Q83 S90 L91P8-K85 HydrophobicContact CB-CB 4Å; P8-K85 HydrophobicContact CG-CB 4.24Å; Q83-K85 VanDerWaalsContact CG-O 3.24Å; Q83-K85 WeakPolarHBondContact CG-O 2.96Å; Q83-K85 PolarHBondContact NE2-O 3.4Å; K85-S90 CarbonylContact C-O 3.28Å; K85-S90 WeakPolarHBondContact CA-O 3.44Å; K85-L91 HydrophobicContact CG-CD2 4.26Å
86Q91.9Very high92.5Very high90 Ų9054.4 Ų54.442%0.42128%0.279SS..  trans-80.4173.9170.3-60.7-169.871.700110.5P8 D88 G89 S90P8-Q86 VanDerWaalsContact CG-O 3.22Å; P8-Q86 WeakPolarHBondContact CG-O 3.49Å; Q86-D88 WeakPolarHBondContact CB-OD1 3.15Å; Q86-D88 PolarHBondContact O-N 3.36Å; Q86-G89 PolarHBondContact O-N 3.06Å; Q86-S90 PolarHBondContact N-O 3Å; Q86-S90 PolarHBondContact NE2-OG 3.15Å
87T90.6Very high92.7Very high101 Ų10162.2 Ų62.262%0.6231%0.308SS*.THydrogen-bonded Turntrans-58.2-34-177.347.30000113N7 A9 G89N7-T87 WeakPolarHBondContact OD1-CA 3.44Å; N7-T87 WeakPolarHBondContact OD1-CG2 3.32Å; A9-T87 HydrophobicContact CB-CG2 3.53Å; T87-G89 PolarHBondContact O-N 3.41Å
88D89.4Confident92.7Very high118 Ų11859.3 Ų59.363%0.63130%0.303SS*.THydrogen-bonded Turntrans-76.4-3.9176.567.2-5.5000113.8Q86 S90Q86-D88 WeakPolarHBondContact CB-OD1 3.15Å; Q86-D88 PolarHBondContact O-N 3.36Å; D88-S90 VanDerWaalsContact C-N 3.32Å; D88-S90 VanDerWaalsContact CG-OG 3.31Å; D88-S90 VanDerWaalsContact OD1-CB 3.23Å; D88-S90 WeakPolarHBondContact OD1-CB 3.12Å; D88-S90 PolarHBondContact OD1-N 2.91Å; D88-S90 PolarHBondContact OD1-OG 3.28Å; D88-S90 PolarHBondContact OD2-OG 3.19Å
89G86.6Confident92.7Very high34 Ų3467 Ų6735%0.35133%0.331SS..SBendtrans85.3-3.9-177.900000115.1Q86 T87Q86-G89 PolarHBondContact O-N 3.06Å; T87-G89 PolarHBondContact O-N 3.41Å
90S91.6Very high92.7Very high45 Ų4569.6 Ų69.632%0.31534%0.344SS..  trans-65.3156.9172.471.50000111.1K85 Q86 D88K85-S90 CarbonylContact C-O 3.28Å; K85-S90 WeakPolarHBondContact CA-O 3.44Å; Q86-S90 PolarHBondContact N-O 3Å; Q86-S90 PolarHBondContact NE2-OG 3.15Å; D88-S90 VanDerWaalsContact C-N 3.32Å; D88-S90 VanDerWaalsContact CG-OG 3.31Å; D88-S90 VanDerWaalsContact OD1-CB 3.23Å; D88-S90 WeakPolarHBondContact OD1-CB 3.12Å; D88-S90 PolarHBondContact OD1-N 2.91Å; D88-S90 PolarHBondContact OD1-OG 3.28Å; D88-S90 PolarHBondContact OD2-OG 3.19Å
91L92.3Very high92.6Very high49 Ų4972.3 Ų72.326%0.25736%0.358SS..BIsolated β-bridgetrans-73.4141.2176.6-66.2173.8000110.3L84 K85 Q93 R97L84-L91 WeakPolarHBondContact O-CA 3.28Å; K85-L91 HydrophobicContact CG-CD2 4.26Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.09Å; L91-R97 HydrophobicContact CD1-CB 4.24Å; L91-R97 HydrophobicContact CD1-CG 3.98Å
92C91.2Very high92.6Very high38 Ų3871.3 Ų71.326%0.25735%0.354SS..SBendtrans-64.8-35173-66.50000111.6M57 L84M57-C92 HydrophobicContact SD-CB 4.49Å; L84-C92 PolarHBondContact O-N 3.06Å
93Q91.5Very high92.6Very high47 Ų4772.1 Ų72.122%0.2236%0.358CS..  trans-147.2137.9172.2-66.3-157.51200111.7A55 G56 M57 L91 K95 F96A55-Q93 PolarHBondContact O-NE2 3.03Å; A55-Q93 PolarHBondContact O-OE1 3.37Å; G56-Q93 PolarHBondContact O-NE2 3.2Å; M57-Q93 HydrophobicContact SD-CB 4.22Å; M57-Q93 HydrophobicContact SD-CG 3.89Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.09Å; Q93-K95 VanDerWaalsContact C-N 3.26Å; Q93-K95 HydrophobicContact CB-CG 4.36Å; Q93-K95 PolarHBondContact O-N 3.25Å; Q93-F96 HydrophobicContact CB-CD2 3.96Å; Q93-F96 PolarHBondContact O-N 2.99Å
94D90Very high92.7Very high139 Ų13973.3 Ų73.374%0.74336%0.363SS*.THydrogen-bonded Turntrans-63.2-29.7-175.1-65.4-36000113.9F96 R97D94-F96 PolarHBondContact O-N 3.3Å; D94-R97 WeakPolarHBondContact O-CG 3.38Å
95K90.5Very high92.9Very high113 Ų11374.7 Ų74.749%0.49137%0.367SS..THydrogen-bonded Turntrans-70.2-16.4176.362.4-179.3151.7-172.20113.7Q93Q93-K95 VanDerWaalsContact C-N 3.26Å; Q93-K95 HydrophobicContact CB-CG 4.36Å; Q93-K95 PolarHBondContact O-N 3.25Å
96F93.6Very high93.1Very high2 Ų269.8 Ų69.81%0.00935%0.346CS..  trans-112.970.2-178.2-58.2-49.2000111.2A55 M57 L84 Q93 D94 V102 Y105A55-F96 HydrophobicContact CB-CE2 4.25Å; A55-F96 HydrophobicContact CB-CZ 4.27Å; M57-F96 HydrophobicContact CE-CB 4.33Å; M57-F96 HydrophobicContact CE-CD2 3.68Å; M57-F96 HydrophobicContact CE-CE2 4.4Å; M57-F96 HydrophobicContact CE-CG 4.32Å; M57-F96 HydrophobicContact CG-CD2 3.89Å; M57-F96 HydrophobicContact CG-CE2 3.64Å; M57-F96 HydrophobicContact SD-CD2 3.38Å; M57-F96 WeakPolarHBondContact SD-CD2 3.43Å; M57-F96 HydrophobicContact SD-CE2 3.72Å; L84-F96 HydrophobicContact CD2-CB 4.06Å; Q93-F96 HydrophobicContact CB-CD2 3.96Å; Q93-F96 PolarHBondContact O-N 2.99Å; D94-F96 PolarHBondContact O-N 3.3Å; F96-V102 HydrophobicContact CB-CG2 3.97Å; F96-V102 HydrophobicContact CD1-CG2 3.89Å; F96-V102 HydrophobicContact CG-CG2 4.01Å; F96-Y105 AromaticContact CE1-CD1 3.83Å; F96-Y105 HydrophobicContact CE1-CD1 3.83Å; F96-Y105 HydrophobicContact CE1-CD2 4.21Å; F96-Y105 AromaticContact CE1-CG 3.6Å; F96-Y105 HydrophobicContact CE1-CG 3.6Å; F96-Y105 AromaticContact CZ-CD1 3.62Å; F96-Y105 HydrophobicContact CZ-CD1 3.62Å; F96-Y105 HydrophobicContact CZ-CD2 4.28Å; F96-Y105 AromaticContact CZ-CE1 3.98Å; F96-Y105 HydrophobicContact CZ-CE1 3.98Å; F96-Y105 AromaticContact CZ-CG 3.79Å; F96-Y105 HydrophobicContact CZ-CG 3.79Å
97R91.4Very high93.3Very high198 Ų19865.7 Ų65.775%0.74733%0.327SS*.SBendtrans-77.7-28.4179.8-51.5-177.685-155.67.4111.8L91 D94 D101L91-R97 HydrophobicContact CD1-CB 4.24Å; L91-R97 HydrophobicContact CD1-CG 3.98Å; D94-R97 WeakPolarHBondContact O-CG 3.38Å; R97-D101 PolarHBondContact N-OD2 3.38Å
98S93.8Very high93.6Very high42 Ų4266.3 Ų66.329%0.29432%0.323SS..SBendtrans-136.5163.7-177.377.60000113K100 D101 V102S98-K100 PolarHBondContact O-N 3.27Å; S98-K100 PolarHBondContact OG-N 3.19Å; S98-D101 WeakPolarHBondContact CB-OD2 3.1Å; S98-D101 PolarHBondContact N-OD2 3.22Å; S98-D101 PolarHBondContact O-N 3.42Å; S98-D101 PolarHBondContact OG-N 2.81Å; S98-D101 PolarHBondContact OG-OD1 3.08Å; S98-D101 PolarHBondContact OG-OD2 3.42Å; S98-V102 PolarHBondContact O-N 2.88Å
99R94.6Very high93.9Very high166 Ų16663.3 Ų63.363%0.62631%0.306SS*.Hα-helixtrans-56.8-31.9170.1-63.7179.1-175.5123.60.2112I15 L84 M103I15-R99 HydrophobicContact CB-CG 4.06Å; I15-R99 HydrophobicContact CD1-CB 4.28Å; I15-R99 HydrophobicContact CD1-CG 3.85Å; I15-R99 HydrophobicContact CG2-CG 3.79Å; L84-R99 HydrophobicContact CD1-CG 4.44Å; R99-M103 WeakPolarHBondContact O-CG 3.28Å; R99-M103 PolarHBondContact O-N 3.08Å; R99-M103 VanDerWaalsContact O-N 3.13Å
100K95.3Very high94.4Very high107 Ų10761.7 Ų61.747%0.46529%0.289SS..Hα-helixtrans-73-36.8-177.4-162.6175.1-178.3-179.10111.4S98 V102 M103 F104S98-K100 PolarHBondContact O-N 3.27Å; S98-K100 PolarHBondContact OG-N 3.19Å; K100-V102 VanDerWaalsContact C-N 3.34Å; K100-M103 HydrophobicContact CB-CE 4.3Å; K100-M103 HydrophobicContact CG-CE 4.39Å; K100-M103 PolarHBondContact O-N 2.82Å; K100-F104 HydrophobicContact CD-CE2 3.96Å; K100-F104 HydrophobicContact CD-CZ 4.46Å; K100-F104 HydrophobicContact CG-CD2 4.01Å; K100-F104 HydrophobicContact CG-CE2 3.62Å; K100-F104 HydrophobicContact CG-CZ 4.26Å; K100-F104 WeakPolarHBondContact O-CD2 3.45Å; K100-F104 PolarHBondContact O-N 2.75Å
101D95.7Very high94.5Very high56 Ų5662.8 Ų62.830%0.29930%0.295SS..Hα-helixtrans-64.3-42.3176-52.2-35.3000110.9R97 S98 M103 F104 Y105R97-D101 PolarHBondContact N-OD2 3.38Å; S98-D101 WeakPolarHBondContact CB-OD2 3.1Å; S98-D101 PolarHBondContact N-OD2 3.22Å; S98-D101 PolarHBondContact O-N 3.42Å; S98-D101 PolarHBondContact OG-N 2.81Å; S98-D101 PolarHBondContact OG-OD1 3.08Å; S98-D101 PolarHBondContact OG-OD2 3.42Å; D101-M103 VanDerWaalsContact C-N 3.35Å; D101-M103 PolarHBondContact O-N 3.45Å; D101-F104 PolarHBondContact O-N 3.25Å; D101-Y105 WeakPolarHBondContact O-CB 3.22Å; D101-Y105 PolarHBondContact O-N 2.74Å
102V96.4Very high94.6Very high0 Ų066.2 Ų66.20%031%0.308CS..Hα-helixtrans-57.2-48.4172177.20000110.8I15 V17 L52 L84 F96 S98 K100 F104 Y105 V106I15-V102 HydrophobicContact CD1-CB 4.46Å; I15-V102 HydrophobicContact CD1-CG1 4.47Å; I15-V102 HydrophobicContact CD1-CG2 4.23Å; V17-V102 HydrophobicContact CG2-CG1 4.29Å; L52-V102 HydrophobicContact CD1-CG1 4.12Å; L52-V102 HydrophobicContact CD2-CG1 3.83Å; L84-V102 HydrophobicContact CD2-CG2 3.73Å; F96-V102 HydrophobicContact CB-CG2 3.97Å; F96-V102 HydrophobicContact CD1-CG2 3.89Å; F96-V102 HydrophobicContact CG-CG2 4.01Å; S98-V102 PolarHBondContact O-N 2.88Å; K100-V102 VanDerWaalsContact C-N 3.34Å; V102-F104 PolarHBondContact O-N 3.38Å; V102-Y105 PolarHBondContact O-N 2.89Å; V102-V106 HydrophobicContact CG1-CG2 4.41Å; V102-V106 WeakPolarHBondContact O-CB 3.42Å; V102-V106 WeakPolarHBondContact O-CG2 3.42Å; V102-V106 PolarHBondContact O-N 3.4Å
103M96.9Very high94.6Very high18 Ų1866.2 Ų66.29%0.08931%0.305CS..Hα-helixtrans-63-41.3-179.9-72.3-175.9-65.600112.6Y21 I22 R33 I34 R99 K100 D101 A107Y21-M103 HydrophobicContact CD2-SD 4.07Å; Y21-M103 HydrophobicContact CG-SD 4.31Å; I22-M103 HydrophobicContact CG2-CB 3.79Å; I22-M103 HydrophobicContact CG2-CG 4.07Å; R33-M103 HydrophobicContact CB-CE 3.88Å; R33-M103 HydrophobicContact CB-SD 3.73Å; R33-M103 HydrophobicContact CG-SD 4.3Å; I34-M103 HydrophobicContact CG2-CB 3.91Å; I34-M103 HydrophobicContact CG2-CE 4.45Å; R99-M103 WeakPolarHBondContact O-CG 3.28Å; R99-M103 PolarHBondContact O-N 3.08Å; R99-M103 VanDerWaalsContact O-N 3.13Å; K100-M103 HydrophobicContact CB-CE 4.3Å; K100-M103 HydrophobicContact CG-CE 4.39Å; K100-M103 PolarHBondContact O-N 2.82Å; D101-M103 VanDerWaalsContact C-N 3.35Å; D101-M103 PolarHBondContact O-N 3.45Å; M103-A107 VanDerWaalsContact O-CB 3.31Å; M103-A107 WeakPolarHBondContact O-CB 3.43Å; M103-A107 PolarHBondContact O-N 3.05Å
104F97.6Very high94.5Very high49 Ų4972.1 Ų72.122%0.21533%0.33CS..Hα-helixtrans-66.2-46.3177.1-76.9-46.9000112.5I34 K38 K100 D101 V102 V106 A107 E108I34-F104 HydrophobicContact CB-CD1 4.42Å; I34-F104 HydrophobicContact CB-CE1 3.91Å; I34-F104 HydrophobicContact CG2-CD1 4.13Å; I34-F104 HydrophobicContact CG2-CE1 3.87Å; I34-F104 HydrophobicContact CG2-CZ 4.36Å; K38-F104 HydrophobicContact CB-CD1 4.1Å; K38-F104 HydrophobicContact CB-CE1 3.97Å; K38-F104 HydrophobicContact CD-CD1 3.74Å; K38-F104 HydrophobicContact CD-CE1 3.34Å; K38-F104 HydrophobicContact CD-CZ 4.05Å; K38-F104 HydrophobicContact CG-CE1 4.28Å; K100-F104 HydrophobicContact CD-CE2 3.96Å; K100-F104 HydrophobicContact CD-CZ 4.46Å; K100-F104 HydrophobicContact CG-CD2 4.01Å; K100-F104 HydrophobicContact CG-CE2 3.62Å; K100-F104 HydrophobicContact CG-CZ 4.26Å; K100-F104 WeakPolarHBondContact O-CD2 3.45Å; K100-F104 PolarHBondContact O-N 2.75Å; D101-F104 PolarHBondContact O-N 3.25Å; V102-F104 PolarHBondContact O-N 3.38Å; F104-V106 VanDerWaalsContact C-N 3.33Å; F104-V106 PolarHBondContact O-N 2.8Å; F104-A107 PolarHBondContact O-N 2.67Å; F104-E108 WeakPolarHBondContact O-CB 3.17Å; F104-E108 PolarHBondContact O-N 2.97Å
105Y96.8Very high94.3Very high54 Ų5470 Ų7021%0.21232%0.323CS..Hα-helixtrans-59.5-45.7177.9178.3-95.9000111.6V51 A55 F96 D101 V102 A107 E108 M109V51-Y105 HydrophobicContact CG1-CD1 4.05Å; V51-Y105 HydrophobicContact CG1-CE1 3.71Å; A55-Y105 HydrophobicContact CB-CE1 3.66Å; F96-Y105 AromaticContact CE1-CD1 3.83Å; F96-Y105 HydrophobicContact CE1-CD1 3.83Å; F96-Y105 HydrophobicContact CE1-CD2 4.21Å; F96-Y105 AromaticContact CE1-CG 3.6Å; F96-Y105 HydrophobicContact CE1-CG 3.6Å; F96-Y105 AromaticContact CZ-CD1 3.62Å; F96-Y105 HydrophobicContact CZ-CD1 3.62Å; F96-Y105 HydrophobicContact CZ-CD2 4.28Å; F96-Y105 AromaticContact CZ-CE1 3.98Å; F96-Y105 HydrophobicContact CZ-CE1 3.98Å; F96-Y105 AromaticContact CZ-CG 3.79Å; F96-Y105 HydrophobicContact CZ-CG 3.79Å; D101-Y105 WeakPolarHBondContact O-CB 3.22Å; D101-Y105 PolarHBondContact O-N 2.74Å; V102-Y105 PolarHBondContact O-N 2.89Å; Y105-A107 VanDerWaalsContact C-N 3.34Å; Y105-A107 PolarHBondContact O-N 3.15Å; Y105-E108 PolarHBondContact O-N 3.44Å; Y105-M109 HydrophobicContact CD1-CG 4.27Å; Y105-M109 HydrophobicContact CD2-CG 4.22Å; Y105-M109 HydrophobicContact CE1-CG 3.9Å; Y105-M109 HydrophobicContact CE2-CG 3.85Å; Y105-M109 HydrophobicContact CE2-SD 4.36Å; Y105-M109 HydrophobicContact CG-CG 4.42Å; Y105-M109 WeakPolarHBondContact O-CB 3.45Å; Y105-M109 VanDerWaalsContact O-CG 3.22Å; Y105-M109 WeakPolarHBondContact O-CG 3.46Å; Y105-M109 PolarHBondContact O-N 3.34Å
106V96.8Very high94Very high0 Ų068.1 Ų68.10%031%0.312CS..Hα-helixtrans-60.6-46.9177.4172.60000110.9I22 I48 V51 L52 V102 F104 E108 M109 I110I22-V106 HydrophobicContact CD1-CB 4.46Å; I22-V106 HydrophobicContact CD1-CG1 3.6Å; I48-V106 HydrophobicContact CB-CG1 4.19Å; I48-V106 HydrophobicContact CG1-CG1 3.83Å; I48-V106 HydrophobicContact CG2-CG1 4.06Å; I48-V106 HydrophobicContact CG2-CG2 4.41Å; V51-V106 HydrophobicContact CG1-CG2 4.25Å; L52-V106 HydrophobicContact CD1-CG2 4.02Å; L52-V106 HydrophobicContact CD2-CG2 3.59Å; L52-V106 HydrophobicContact CG-CG2 3.67Å; V102-V106 HydrophobicContact CG1-CG2 4.41Å; V102-V106 WeakPolarHBondContact O-CB 3.42Å; V102-V106 WeakPolarHBondContact O-CG2 3.42Å; V102-V106 PolarHBondContact O-N 3.4Å; F104-V106 VanDerWaalsContact C-N 3.33Å; F104-V106 PolarHBondContact O-N 2.8Å; V106-E108 VanDerWaalsContact C-N 3.29Å; V106-E108 PolarHBondContact O-N 2.98Å; V106-M109 PolarHBondContact O-N 2.91Å; V106-I110 HydrophobicContact CG1-CD1 3.56Å; V106-I110 HydrophobicContact CG1-CG1 4.04Å; V106-I110 VanDerWaalsContact O-CG1 3.28Å; V106-I110 WeakPolarHBondContact O-CG1 3.39Å; V106-I110 PolarHBondContact O-N 3.14Å
107A97Very high93.1Very high4 Ų471.6 Ų71.63%0.03333%0.334CS..Hα-helixtrans-64.3-33.7-179.600000112.5I22 I34 K38 V40 M103 F104 Y105 P111I22-A107 HydrophobicContact CB-CB 4.4Å; I22-A107 HydrophobicContact CG2-CB 4.49Å; I34-A107 HydrophobicContact CD1-CB 3.79Å; K38-A107 WeakPolarHBondContact O-CB 3.27Å; V40-A107 HydrophobicContact CG2-CB 3.95Å; V40-A107 WeakPolarHBondContact CG2-O 3.47Å; M103-A107 VanDerWaalsContact O-CB 3.31Å; M103-A107 WeakPolarHBondContact O-CB 3.43Å; M103-A107 PolarHBondContact O-N 3.05Å; F104-A107 PolarHBondContact O-N 2.67Å; Y105-A107 VanDerWaalsContact C-N 3.34Å; Y105-A107 PolarHBondContact O-N 3.15Å; A107-P111 WeakPolarHBondContact O-CD 3.46Å
108E96.6Very high91.7Very high114 Ų11469.7 Ų69.753%0.53333%0.334SS..Hα-helixtrans-71.1-33.6175.2-162.4-162.414000113.1F104 Y105 V106 K112F104-E108 WeakPolarHBondContact O-CB 3.17Å; F104-E108 PolarHBondContact O-N 2.97Å; Y105-E108 PolarHBondContact O-N 3.44Å; V106-E108 VanDerWaalsContact C-N 3.29Å; V106-E108 PolarHBondContact O-N 2.98Å; E108-K112 WeakPolarHBondContact O-CE 3.36Å; E108-K112 IonicContact OE1-NZ 2.67Å; E108-K112 PolarHBondContact OE1-NZ 3.12Å
109M96.3Very high89.9Confident55 Ų5576 Ų7627%0.27136%0.355SS..Hα-helixtrans-90.8-28.9-172.2-66.8-58.4-66.600114V51 Y105 V106 K112V51-M109 HydrophobicContact CB-CB 4.48Å; V51-M109 HydrophobicContact CG1-CB 3.56Å; V51-M109 HydrophobicContact CG1-CG 4.19Å; V51-M109 HydrophobicContact CG2-CB 4.03Å; Y105-M109 HydrophobicContact CD1-CG 4.27Å; Y105-M109 HydrophobicContact CD2-CG 4.22Å; Y105-M109 HydrophobicContact CE1-CG 3.9Å; Y105-M109 HydrophobicContact CE2-CG 3.85Å; Y105-M109 HydrophobicContact CE2-SD 4.36Å; Y105-M109 HydrophobicContact CG-CG 4.42Å; Y105-M109 WeakPolarHBondContact O-CB 3.45Å; Y105-M109 VanDerWaalsContact O-CG 3.22Å; Y105-M109 WeakPolarHBondContact O-CG 3.46Å; Y105-M109 PolarHBondContact O-N 3.34Å; V106-M109 PolarHBondContact O-N 2.91Å; M109-K112 HydrophobicContact CE-CD 4.48Å; M109-K112 WeakPolarHBondContact O-CB 3.4Å; M109-K112 PolarHBondContact O-N 3.41Å; M109-K112 HydrophobicContact SD-CD 4Å
110I95.8Very high87.7Confident0 Ų073 Ų730%036%0.36CS..G310 helixtrans-55.2-46.5179.1-73173.5000112.6I22 V40 P43 E47 I48 V51 V106 K112 L113I22-I110 HydrophobicContact CD1-CD1 3.76Å; V40-I110 HydrophobicContact CG1-CB 4.42Å; V40-I110 HydrophobicContact CG1-CG2 3.86Å; V40-I110 HydrophobicContact CG2-CB 4.44Å; P43-I110 HydrophobicContact CB-CD1 3.97Å; E47-I110 HydrophobicContact CB-CD1 4.14Å; E47-I110 HydrophobicContact CB-CG1 4.08Å; E47-I110 HydrophobicContact CB-CG2 4.41Å; I48-I110 HydrophobicContact CG1-CD1 4.06Å; V51-I110 HydrophobicContact CG2-CG1 4.08Å; V106-I110 HydrophobicContact CG1-CD1 3.56Å; V106-I110 HydrophobicContact CG1-CG1 4.04Å; V106-I110 VanDerWaalsContact O-CG1 3.28Å; V106-I110 WeakPolarHBondContact O-CG1 3.39Å; V106-I110 PolarHBondContact O-N 3.14Å; I110-K112 PolarHBondContact O-N 3.07Å; I110-K112 VanDerWaalsContact O-N 3.14Å; I110-L113 HydrophobicContact CG1-CD1 4.47Å; I110-L113 HydrophobicContact CG2-CD1 4.49Å; I110-L113 WeakPolarHBondContact O-CB 3.32Å; I110-L113 WeakPolarHBondContact O-CG 2.89Å; I110-L113 PolarHBondContact O-N 2.93Å
111P94.6Very high85.2Confident68 Ų6871.5 Ų71.544%0.44238%0.375SS..G310 helixtrans-60.7-23.6178.1-25.335.8000114V40 A107 L113V40-P111 HydrophobicContact CG1-CG 4.27Å; V40-P111 HydrophobicContact CG2-CG 4.01Å; A107-P111 WeakPolarHBondContact O-CD 3.46Å; P111-L113 VanDerWaalsContact C-N 3.33Å
112K94.3Very high82.5Confident120 Ų12071.2 Ų71.252%0.52239%0.385SS..G310 helixtrans-84.8-5.4-179.9-57172.8-172.4167.50112.7E108 M109 I110E108-K112 WeakPolarHBondContact O-CE 3.36Å; E108-K112 IonicContact OE1-NZ 2.67Å; E108-K112 PolarHBondContact OE1-NZ 3.12Å; M109-K112 HydrophobicContact CE-CD 4.48Å; M109-K112 WeakPolarHBondContact O-CB 3.4Å; M109-K112 PolarHBondContact O-N 3.41Å; M109-K112 HydrophobicContact SD-CD 4Å; I110-K112 PolarHBondContact O-N 3.07Å; I110-K112 VanDerWaalsContact O-N 3.14Å
113L91.9Very high79.6Confident38 Ų3876.3 Ų76.320%0.19942%0.421CS..SBendtrans-67136.5177.9-67.8175000111.1E47 V51 I110 P111 T115 R116 T117E47-L113 HydrophobicContact CB-CD1 3.84Å; E47-L113 HydrophobicContact CG-CD1 3.8Å; V51-L113 HydrophobicContact CG2-CD1 4.05Å; V51-L113 HydrophobicContact CG2-CD2 3.98Å; V51-L113 HydrophobicContact CG2-CG 4.2Å; I110-L113 HydrophobicContact CG1-CD1 4.47Å; I110-L113 HydrophobicContact CG2-CD1 4.49Å; I110-L113 WeakPolarHBondContact O-CB 3.32Å; I110-L113 WeakPolarHBondContact O-CG 2.89Å; I110-L113 PolarHBondContact O-N 2.93Å; P111-L113 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 3.04Å; L113-T115 VanDerWaalsContact O-N 3.15Å; L113-R116 PolarHBondContact O-N 3.46Å; L113-T117 PolarHBondContact O-N 3.34Å
114K88.5Confident77Confident172 Ų17282.8 Ų82.875%0.74846%0.456SS*.Hα-helixtrans-54.9-35.4177.3-64.6-175.8-179.5-179.20112.7R116 T117 Q118K114-R116 PolarHBondContact O-N 3.05Å; K114-T117 WeakPolarHBondContact CA-OG1 3.44Å; K114-T117 PolarHBondContact O-N 3.22Å; K114-T117 PolarHBondContact O-OG1 3.01Å; K114-Q118 WeakPolarHBondContact O-CB 3.43Å; K114-Q118 WeakPolarHBondContact O-CG 3.43Å; K114-Q118 PolarHBondContact O-N 3.24Å
115T86.6Confident74.2Confident95 Ų9585.5 Ų85.558%0.58348%0.481SS*.Hα-helixtrans-63.7-27.1177.6520000113.4L113L113-T115 PolarHBondContact O-N 3.04Å; L113-T115 VanDerWaalsContact O-N 3.15Å
116R84.6Confident71.3Confident73 Ų7387.4 Ų87.428%0.27550%0.502SS..Hα-helixtrans-87.9-43.7174.1-75.9-78.4178151.55.5111.4E41 N42 E47 L113 K114 Q118 K119E41-R116 PolarHBondContact O-NH1 3.34Å; N42-R116 PolarHBondContact O-NH2 2.62Å; E47-R116 IonicContact OE1-CZ 3.25Å; E47-R116 VanDerWaalsContact OE1-CZ 3.31Å; E47-R116 IonicContact OE1-NE 3.05Å; E47-R116 PolarHBondContact OE1-NE 2.92Å; E47-R116 IonicContact OE1-NH2 3.31Å; E47-R116 PolarHBondContact OE1-NH2 3.46Å; E47-R116 IonicContact OE2-CZ 2.81Å; E47-R116 IonicContact OE2-NE 2.91Å; E47-R116 IonicContact OE2-NH2 3.89Å; E47-R116 PolarHBondContact OE2-NH2 3.3Å; L113-R116 PolarHBondContact O-N 3.46Å; K114-R116 PolarHBondContact O-N 3.05Å; R116-Q118 PolarHBondContact O-N 2.74Å; R116-K119 PolarHBondContact O-N 3.39Å
117T74Confident68.5Low75 Ų7592.5 Ų92.546%0.4654%0.544SS..Hα-helixtrans-67.8-33.1-176.360.10000113.1L113 K114 S120L113-T117 PolarHBondContact O-N 3.34Å; K114-T117 WeakPolarHBondContact CA-OG1 3.44Å; K114-T117 PolarHBondContact O-N 3.22Å; K114-T117 PolarHBondContact O-OG1 3.01Å; T117-S120 PolarHBondContact O-OG 3.43Å
118Q61.2Low65.6Low158 Ų158100.9 Ų100.974%0.73858%0.583SS**G310 helixtrans-74.9-21.4175.8-70.8-174.3-36.500113.8K114 R116 S120 G121K114-Q118 WeakPolarHBondContact O-CB 3.43Å; K114-Q118 WeakPolarHBondContact O-CG 3.43Å; K114-Q118 PolarHBondContact O-N 3.24Å; R116-Q118 PolarHBondContact O-N 2.74Å; Q118-S120 PolarHBondContact O-N 3.17Å; Q118-G121 PolarHBondContact O-N 3.43Å
119K56.8Low62.9Low173 Ų173104.4 Ų104.475%0.75260%0.599SS**G310 helixtrans-72.7-13.5177.1-111.3-178.5178-176.20113.6R116 G121R116-K119 PolarHBondContact O-N 3.39Å; K119-G121 PolarHBondContact O-N 3.33Å
120S47.7Very low60Low105 Ų105105.4 Ų105.473%0.73462%0.624SS**G310 helixtrans-71.71.6174.5-15.10000113.8T117 Q118T117-S120 PolarHBondContact O-OG 3.43Å; Q118-S120 PolarHBondContact O-N 3.17Å
121G43.7Very low57Low74 Ų74113.7 Ų113.776%0.76367%0.668SS**G310 helixtrans-120.119.6-175.600000116.3Q118 K119Q118-G121 PolarHBondContact O-N 3.43Å; K119-G121 PolarHBondContact O-N 3.33Å
122G38.3Very low54.1Low51 Ų51113.5 Ų113.553%0.52668%0.679SS.*SBendtrans-166.5102.7-178.300000115.3
123S35.3Very low51.2Low106 Ų106111.6 Ų111.674%0.74169%0.693SS**  trans44.4112.9143.421.20000119.6S125S123-S125 PolarHBondContact O-N 3.13Å; S123-S125 PolarHBondContact O-OG 3.06Å
124D43.8Very low48.5Very low154 Ų154120 Ų12082%0.82473%0.728SS**  trans-24107.1138.6-151.1-61.9000111.4
125S37Very low46Very low107 Ų107121.7 Ų121.775%0.74874%0.735SS**  trans-107.181.1169.4-60.70000107S123 A127S123-S125 PolarHBondContact O-N 3.13Å; S123-S125 PolarHBondContact O-OG 3.06Å; S125-A127 PolarHBondContact O-N 3.36Å; S125-A127 VanDerWaalsContact O-N 3.13Å
126S37Very low43.6Very low93 Ų93122.8 Ų122.865%0.6575%0.747SS**  trans-38.4110.5150.442.10000110Q128S126-Q128 PolarHBondContact O-N 3.02Å
127A36.9Very low41.5Very low107 Ų107129.2 Ų129.288%0.88478%0.776SS**  trans-78.181.1165.900000107.8S125S125-A127 PolarHBondContact O-N 3.36Å; S125-A127 VanDerWaalsContact O-N 3.13Å
128Q37.7Very low40Very low181 Ų181135.1 Ų135.185%0.84680%0.796SS**  trans-81.8116.9164.9-170168.5-14.800109.2S126S126-Q128 PolarHBondContact O-N 3.02Å
129Q39.1Very low39.1Very low188 Ų188137.4 Ų137.488%0.87980%0.803SS**  trans-49.1134.2166.7-155.9171.81.200111.4
130G34.5Very low38.3Very low76 Ų76138.1 Ų138.178%0.78481%0.807SS**  trans-168.372.4-178.900000113.4
131D33.2Very low38Very low173 Ų173146.3 Ų146.393%0.92583%0.829SS**  trans-58.1143.7163.6-174.2-97.6000111.4
132G33.4Very low37.7Very low65 Ų65149.9 Ų149.967%0.6783%0.832SS**  trans161.168.2172.400000116.4K134G132-K134 PolarHBondContact O-N 3.41Å
133G32.9Very low37.6Very low79 Ų79155.1 Ų155.181%0.81485%0.848SS**  trans-54.3126.4171.600000114K135G133-K135 PolarHBondContact O-N 3.2Å
134K35.6Very low37.8Very low216 Ų216157.8 Ų157.894%0.93985%0.854SS**  trans-70.6104171.7-102.8172175.8170.70110.5G132G132-K134 PolarHBondContact O-N 3.41Å
135K36.5Very low37.4Very low206 Ų206158.1 Ų158.190%0.89686%0.856SS**  trans-85.6110.3167.7-153.9176-167.4172.10109.4G133G133-K135 PolarHBondContact O-N 3.2Å
136S36.1Very low37.4Very low119 Ų119161.3 Ų161.383%0.83286%0.863SS**  trans-69.1122.3173.540.60000110.7
137K40.8Very low37.5Very low207 Ų207165.8 Ų165.890%0.988%0.877SS**  trans-119.497.2169.8-145.9175.2-172.81780109.8
138K41.5Very low37.5Very low199 Ų199170 Ų17087%0.86588%0.876SS**  trans-61.6122.2168.5-173.3175.5-174.9172.80108.9
139K42.6Very low37.5Very low207 Ų207169.2 Ų169.290%0.988%0.879SS**  trans-115.7116.8165.9-143.6-178.7-177.4-173.60108.4
140K40Very low37.4Very low188 Ų188167.6 Ų167.682%0.81788%0.879SS**  trans-109.5144173.1-177.7-178-178.7-179.60106
141K41.2Very low37.6Very low276 Ų276175.9 Ų175.9100%1.289%0.887SS**  trans82.40176.9-115.3-177178.6-171.50115.4

Retrieved 141 of 141 residues in 32.5 ms (Link to these results)

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