A0A077ZMH9_TRITR Loading...

Polyadenylate binding protein

AlphaFold DB , UniProt , Accession A0A077ZMH9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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
1M53.1Low78.1Confident245 Ų245132.5 Ų132.5100%1.20771%0.705SS**  0114.20-74.2-171.7-11000106.6
2E78.8Confident78.6Confident196 Ų196123.8 Ų123.892%0.91666%0.659SS**PPolyproline II helixtrans-73.5134.3174.5-70.1-179.2159.300109
3L74.6Confident78.8Confident163 Ų163119.9 Ų119.985%0.85364%0.637SS**PPolyproline II helixtrans-71.1138.6177.6-76.6154.8000109.1
4P76.5Confident78.4Confident103 Ų103114.4 Ų114.467%0.66962%0.623SS**PPolyproline II helixtrans-60.7150.1172.827.1-33.6000109.9L6P4-L6 PolarHBondContact O-N 3.37Å
5P78.8Confident78Confident98 Ų98108.6 Ų108.664%0.63659%0.594SS**PPolyproline II helixtrans-61.5133.7-179.426.2-34.1000110.4A7P5-A7 PolarHBondContact O-N 3.13Å
6L80.1Confident77.5Confident192 Ų192106.6 Ų106.6100%1.00558%0.583SS**SBendtrans-65.9-17.5177.8-69.7172.2000113.1P4P4-L6 PolarHBondContact O-N 3.37Å
7A83.1Confident76.6Confident84 Ų84112.2 Ų112.269%0.69459%0.593SS**SBendtrans-131.1133.617900000109.9P5P5-A7 PolarHBondContact O-N 3.13Å
8I82.3Confident76.1Confident111 Ų111114.3 Ų114.357%0.56960%0.604SS**  trans-111.9134177.3-58.9172.8000107.7L51I8-L51 HydrophobicContact CG2-CD1 3.82Å
9R83.5Confident75.6Confident157 Ų157109.9 Ų109.959%0.59258%0.583SS**  trans-77.7125.1173.6-176.8178.2174.6-172.5-6.3109.1I50R9-I50 HydrophobicContact CG-CG2 4.26Å
10C84.1Confident75.4Confident51 Ų51105.5 Ų105.535%0.34556%0.558SS.*EExtended strand (participates in β ladder)trans-126.4158.7176-55.80000110.9L51 V53C10-L51 CarbonylContact C-O 3.56Å; C10-L51 VanDerWaalsContact CA-O 3.26Å; C10-L51 WeakPolarHBondContact CA-O 3.27Å; C10-L51 WeakPolarHBondContact CB-O 3.32Å; C10-V53 HydrophobicContact CB-CB 4.43Å; C10-V53 HydrophobicContact CB-CG1 3.8Å; C10-V53 HydrophobicContact CB-CG2 3.71Å
11Q84.3Confident75.3Confident57 Ų57108.4 Ų108.427%0.26656%0.563SS.*EExtended strand (participates in β ladder)trans-117135.2172.3-176.8171.619.600109S15 I50 L51 S52 V53Q11-S15 PolarHBondContact NE2-O 3.49Å; Q11-I50 HydrophobicContact CB-CG2 3.88Å; Q11-L51 PolarHBondContact N-O 2.86Å; Q11-S52 CarbonylContact O-C 3.53Å; Q11-S52 WeakPolarHBondContact O-CA 3.44Å; Q11-V53 PolarHBondContact O-N 3.18Å
12I83.4Confident76.5Confident29 Ų29106.7 Ų106.715%0.14954%0.543CS..EExtended strand (participates in β ladder)trans-77.7134.1176.9-62.3172.8000108.2G14 S15 F28 V53 L55 F64I12-G14 PolarHBondContact O-N 3.39Å; I12-S15 WeakPolarHBondContact O-CB 3.49Å; I12-S15 PolarHBondContact O-N 2.75Å; I12-S15 PolarHBondContact O-OG 3.03Å; I12-F28 HydrophobicContact CD1-CE1 4.02Å; I12-F28 HydrophobicContact CD1-CE2 4.04Å; I12-F28 HydrophobicContact CD1-CZ 3.34Å; I12-V53 VanDerWaalsContact CA-O 3.32Å; I12-V53 WeakPolarHBondContact CA-O 3.4Å; I12-V53 HydrophobicContact CG1-CG2 4.44Å; I12-L55 HydrophobicContact CD1-CB 4.41Å; I12-L55 HydrophobicContact CD1-CD2 4.24Å; I12-F64 HydrophobicContact CG2-CB 3.95Å; I12-F64 HydrophobicContact CG2-CD2 3.76Å; I12-F64 HydrophobicContact CG2-CG 4.2Å
13I81.1Confident76.5Confident73 Ų73100.7 Ų100.737%0.37453%0.527SS..THydrogen-bonded Turntrans-59.4136.3178-66-176000110.3S15 C43 V53 F64I13-S15 PolarHBondContact O-N 2.89Å; I13-C43 HydrophobicContact CD1-CB 3.55Å; I13-C43 WeakPolarHBondContact CD1-SG 3.5Å; I13-V53 PolarHBondContact N-O 3.36Å; I13-F64 WeakPolarHBondContact O-CD2 3.4Å; I13-F64 WeakPolarHBondContact O-CE2 3.44Å
14G73.5Confident76.7Confident43 Ų4394.6 Ų94.644%0.44350%0.495SS..THydrogen-bonded Turntrans76.8-0.7-176.300000113.8I12 D16 F64I12-G14 PolarHBondContact O-N 3.39Å; G14-D16 PolarHBondContact O-N 2.98Å; G14-F64 VanDerWaalsContact C-CZ 3.5Å; G14-F64 WeakPolarHBondContact O-CE2 3.41Å; G14-F64 WeakPolarHBondContact O-CZ 3.18Å
15S72.3Confident76.9Confident27 Ų2792.6 Ų92.619%0.18948%0.478CS..  trans-81.384.6176.484.60000111.6Q11 I12 I13 F20Q11-S15 PolarHBondContact NE2-O 3.49Å; I12-S15 WeakPolarHBondContact O-CB 3.49Å; I12-S15 PolarHBondContact O-N 2.75Å; I12-S15 PolarHBondContact O-OG 3.03Å; I13-S15 PolarHBondContact O-N 2.89Å; S15-F20 VanDerWaalsContact CA-CE2 3.44Å
16D70.4Confident77.1Confident77 Ų7791.3 Ų91.341%0.41247%0.466SS..  trans-88.4119.7164.717616.6000109.5G14 N18 T19 F20G14-D16 PolarHBondContact O-N 2.98Å; D16-N18 PolarHBondContact O-N 2.89Å; D16-N18 VanDerWaalsContact O-N 3.1Å; D16-N18 PolarHBondContact OD1-N 3.3Å; D16-N18 VanDerWaalsContact OD1-N 3.13Å; D16-T19 WeakPolarHBondContact O-CB 3.46Å; D16-T19 PolarHBondContact O-N 3.49Å; D16-T19 PolarHBondContact OD2-OG1 3.01Å; D16-F20 WeakPolarHBondContact O-CD2 3.42Å; D16-F20 WeakPolarHBondContact O-CE2 3.4Å
17R62.2Low77.2Confident202 Ų20283.5 Ų83.576%0.76243%0.429SS*.G310 helixtrans-56.3-29.4-178.2-72.8-178.1172.2-176.3-4112.5T19R17-T19 PolarHBondContact O-N 2.96Å
18N67.2Low77.2Confident149 Ų14981 Ų8180%0.79740%0.402SS*.G310 helixtrans-78-12-179-61.5-31.2000113D16D16-N18 PolarHBondContact O-N 2.89Å; D16-N18 VanDerWaalsContact O-N 3.1Å; D16-N18 PolarHBondContact OD1-N 3.3Å; D16-N18 VanDerWaalsContact OD1-N 3.13Å
19T66.6Low77.2Confident31 Ų3183 Ų8319%0.1940%0.403CS..G310 helixtrans-93.6-16.5-175.2-64.40000113D16 R17 F72 R75D16-T19 WeakPolarHBondContact O-CB 3.46Å; D16-T19 PolarHBondContact O-N 3.49Å; D16-T19 PolarHBondContact OD2-OG1 3.01Å; R17-T19 PolarHBondContact O-N 2.96Å; T19-F72 HydrophobicContact CG2-CE1 4.38Å; T19-F72 HydrophobicContact CG2-CZ 4.18Å; T19-R75 PolarHBondContact OG1-NH1 3.32Å
20F72.1Confident77.2Confident21 Ų2183.3 Ų83.39%0.09240%0.404CS..  trans-105.4130.3-171-52.6-54.8000114.7S15 D16 L25 F64 F68 L71 F72S15-F20 VanDerWaalsContact CA-CE2 3.44Å; D16-F20 WeakPolarHBondContact O-CD2 3.42Å; D16-F20 WeakPolarHBondContact O-CE2 3.4Å; F20-L25 HydrophobicContact CB-CD1 4.37Å; F20-L25 HydrophobicContact CB-CD2 4.04Å; F20-L25 HydrophobicContact CB-CG 4.03Å; F20-L25 HydrophobicContact CD2-CD2 4.23Å; F20-L25 HydrophobicContact CG-CD2 4.4Å; F20-F64 HydrophobicContact CE1-CE2 4.48Å; F20-F64 AromaticContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CZ 4.44Å; F20-F68 HydrophobicContact CB-CE1 4.18Å; F20-F68 AromaticContact CD1-CD1 3.12Å; F20-F68 HydrophobicContact CD1-CD1 3.12Å; F20-F68 AromaticContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CG 4.04Å; F20-F68 HydrophobicContact CD1-CZ 4.48Å; F20-F68 HydrophobicContact CD2-CE1 4.08Å; F20-F68 HydrophobicContact CE1-CB 3.94Å; F20-F68 AromaticContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD2 4.46Å; F20-F68 AromaticContact CE1-CE1 3.7Å; F20-F68 HydrophobicContact CE1-CE1 3.7Å; F20-F68 AromaticContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE2-CE1 4.35Å; F20-F68 AromaticContact CG-CD1 3.86Å; F20-F68 HydrophobicContact CG-CD1 3.86Å; F20-F68 AromaticContact CG-CE1 3.58Å; F20-F68 HydrophobicContact CG-CE1 3.58Å; F20-F68 AromaticContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CE1 4.18Å; F20-F68 HydrophobicContact CZ-CG 4.19Å; F20-L71 HydrophobicContact CD1-CD1 4.1Å; F20-F72 AromaticContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CZ 4.25Å; F20-F72 HydrophobicContact CZ-CE2 4.42Å; F20-F72 HydrophobicContact CZ-CZ 4.47Å
21Y73.4Confident77Confident168 Ų16882.1 Ų82.166%0.65939%0.394SS*.  trans-66.8140.2167.2-56.7-74.4000110.8A23 I24 L25 L71Y21-A23 PolarHBondContact O-N 3.45Å; Y21-A23 VanDerWaalsContact O-N 3.13Å; Y21-I24 HydrophobicContact CD2-CD1 4.34Å; Y21-I24 PolarHBondContact O-N 3.48Å; Y21-L25 PolarHBondContact O-N 2.92Å; Y21-L71 HydrophobicContact CD2-CD1 4.44Å; Y21-L71 HydrophobicContact CD2-CD2 3.89Å; Y21-L71 HydrophobicContact CE2-CD2 3.86Å
22R78.9Confident76.8Confident209 Ų20981.4 Ų81.479%0.78940%0.395SS*.Hα-helixtrans-48.6-42.4178.7-71.4-175.5174.6-174.8-1.8113I24 L25 D26R22-I24 PolarHBondContact O-N 3.28Å; R22-L25 WeakPolarHBondContact O-CB 3.45Å; R22-L25 PolarHBondContact O-N 3.17Å; R22-L25 VanDerWaalsContact O-N 3.12Å; R22-D26 PolarHBondContact O-N 2.66Å
23A78.3Confident76.6Confident69 Ų6986.4 Ų86.457%0.5742%0.416SS*.Hα-helixtrans-57.1-34.6-179.500000114Y21 A27Y21-A23 PolarHBondContact O-N 3.45Å; Y21-A23 VanDerWaalsContact O-N 3.13Å; A23-A27 PolarHBondContact O-N 3.32Å
24I78.2Confident76Confident36 Ų3690.4 Ų90.419%0.18544%0.443CS..Hα-helixtrans-81.1-35.3-178.6-66.2171.3000110.2Y21 R22 D26 A27 F28 H67 F68 L71Y21-I24 HydrophobicContact CD2-CD1 4.34Å; Y21-I24 PolarHBondContact O-N 3.48Å; R22-I24 PolarHBondContact O-N 3.28Å; I24-D26 VanDerWaalsContact C-N 3.29Å; I24-D26 PolarHBondContact O-N 2.9Å; I24-A27 PolarHBondContact O-N 3.32Å; I24-F28 WeakPolarHBondContact O-CB 3.37Å; I24-F28 PolarHBondContact O-N 2.58Å; I24-H67 HydrophobicContact CG2-CB 4.37Å; I24-H67 WeakPolarHBondContact CG2-O 3.45Å; I24-F68 HydrophobicContact CB-CE1 4.48Å; I24-F68 HydrophobicContact CG2-CD1 3.52Å; I24-F68 HydrophobicContact CG2-CE1 3.4Å; I24-F68 VanDerWaalsContact CG2-CE1 3.4Å; I24-F68 HydrophobicContact CG2-CZ 4.28Å; I24-L71 HydrophobicContact CD1-CD1 3.34Å; I24-L71 HydrophobicContact CD1-CD2 3.54Å; I24-L71 HydrophobicContact CD1-CG 3.49Å; I24-L71 VanDerWaalsContact CD1-CG 3.49Å; I24-L71 HydrophobicContact CG2-CD1 4.44Å
25L81.3Confident76.1Confident60 Ų6092.2 Ų92.231%0.31446%0.462SS..Hα-helixtrans-61.4-39.6168.9-64.5175.5000111.3F20 Y21 R22 F28 R29 F68F20-L25 HydrophobicContact CB-CD1 4.37Å; F20-L25 HydrophobicContact CB-CD2 4.04Å; F20-L25 HydrophobicContact CB-CG 4.03Å; F20-L25 HydrophobicContact CD2-CD2 4.23Å; F20-L25 HydrophobicContact CG-CD2 4.4Å; Y21-L25 PolarHBondContact O-N 2.92Å; R22-L25 WeakPolarHBondContact O-CB 3.45Å; R22-L25 PolarHBondContact O-N 3.17Å; R22-L25 VanDerWaalsContact O-N 3.12Å; L25-F28 PolarHBondContact O-N 2.96Å; L25-R29 WeakPolarHBondContact O-CB 3.33Å; L25-R29 VanDerWaalsContact O-CG 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3.26Å; L25-F68 HydrophobicContact CD2-CE1 4.38Å; L25-F68 HydrophobicContact CD2-CZ 4.33Å
26D82.2Confident76.4Confident71 Ų7196 Ų9638%0.3848%0.475SS..Hα-helixtrans-70.6-34.6177.1-67.2-29.2000112.5R22 I24 R29 R30R22-D26 PolarHBondContact O-N 2.66Å; I24-D26 VanDerWaalsContact C-N 3.29Å; I24-D26 PolarHBondContact O-N 2.9Å; D26-R29 IonicContact OD1-NH1 3.63Å; D26-R30 WeakPolarHBondContact O-CB 3.5Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.4Å; D26-R30 PolarHBondContact O-N 2.88Å; D26-R30 PolarHBondContact O-NE 2.86Å
27A82.3Confident77.1Confident28 Ų2896.4 Ų96.423%0.23148%0.484CS..Hα-helixtrans-64.7-45.1170.700000111.5A23 I24 R29 R30 D31A23-A27 PolarHBondContact O-N 3.32Å; I24-A27 PolarHBondContact O-N 3.32Å; A27-R29 PolarHBondContact O-N 2.86Å; A27-R30 PolarHBondContact O-N 3.12Å; A27-D31 PolarHBondContact O-N 3.19Å
28F83.1Confident78.2Confident32 Ų3289.5 Ų89.514%0.1446%0.458CS..Hα-helixtrans-60.4-45.3176-177.9-93.3000111.8I12 I24 L25 R30 D31 C32 L55 L63 H67 F68I12-F28 HydrophobicContact CD1-CE1 4.02Å; I12-F28 HydrophobicContact CD1-CE2 4.04Å; I12-F28 HydrophobicContact CD1-CZ 3.34Å; I24-F28 WeakPolarHBondContact O-CB 3.37Å; I24-F28 PolarHBondContact O-N 2.58Å; L25-F28 PolarHBondContact O-N 2.96Å; F28-R30 PolarHBondContact O-N 3.25Å; F28-D31 PolarHBondContact O-N 3.37Å; F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.47Å; F28-C32 PolarHBondContact O-N 3.16Å; F28-C32 PolarHBondContact O-SG 2.92Å; F28-C32 VanDerWaalsContact O-SG 3.33Å; F28-L55 HydrophobicContact CE2-CD2 4.37Å; F28-L55 HydrophobicContact CZ-CD2 3.77Å; F28-L63 HydrophobicContact CE2-CB 4.04Å; F28-H67 HydrophobicContact CD2-CB 4.38Å; F28-H67 AromaticContact CD2-CD2 3.68Å; F28-F68 HydrophobicContact CB-CZ 4.34Å; F28-F68 AromaticContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CZ 4.28Å; F28-F68 HydrophobicContact CE2-CE2 4.36Å; F28-F68 HydrophobicContact CG-CE2 4.43Å; F28-F68 HydrophobicContact CG-CZ 4.32Å
29R82.5Confident79.1Confident152 Ų15286.3 Ų86.357%0.57444%0.44SS*.Hα-helixtrans-60-41.4174.8-77.2171.3173.5179.1-6.1112.5L25 D26 A27 D31 C32L25-R29 WeakPolarHBondContact O-CB 3.33Å; L25-R29 VanDerWaalsContact O-CG 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3.26Å; D26-R29 IonicContact OD1-NH1 3.63Å; A27-R29 PolarHBondContact O-N 2.86Å; R29-D31 VanDerWaalsContact C-N 3.32Å; R29-D31 PolarHBondContact O-N 3.46Å; R29-C32 CarbonylContact O-C 3.46Å; R29-C32 PolarHBondContact O-N 3.49Å
30R83.8Confident80.1Confident165 Ų16588 Ų8862%0.62345%0.451SS*.Hα-helixtrans-66.8-32.5176.5-78-176.6-70.9159.7-4.9112.7D26 A27 F28 K33D26-R30 WeakPolarHBondContact O-CB 3.5Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.4Å; D26-R30 PolarHBondContact O-N 2.88Å; D26-R30 PolarHBondContact O-NE 2.86Å; A27-R30 PolarHBondContact O-N 3.12Å; F28-R30 PolarHBondContact O-N 3.25Å; R30-K33 WeakPolarHBondContact O-CG 3.43Å
31D80.7Confident80.9Confident26 Ų2691.1 Ų91.114%0.13947%0.468CS..Hα-helixtrans-74.7-38.8175-156.14.9000111A27 F28 R29 K33 K36 R38 K66 H67A27-D31 PolarHBondContact O-N 3.19Å; F28-D31 PolarHBondContact O-N 3.37Å; R29-D31 VanDerWaalsContact C-N 3.32Å; R29-D31 PolarHBondContact O-N 3.46Å; D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 2.98Å; D31-K36 IonicContact OD1-NZ 3.95Å; D31-R38 PolarHBondContact O-NH2 3.36Å; D31-R38 IonicContact OD1-NH2 3.74Å; D31-K66 IonicContact OD2-NZ 3.59Å; D31-K66 PolarHBondContact OD2-NZ 3.2Å; D31-H67 IonicContact OD2-CE1 3.05Å; D31-H67 IonicContact OD2-NE2 2.81Å; D31-H67 PolarHBondContact OD2-NE2 2.93Å
32C79.5Confident81.5Confident42 Ų4288.4 Ų88.428%0.28446%0.46SS..THydrogen-bonded Turntrans-86.636.9179.6-59.40000114.2F28 R29F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.47Å; F28-C32 PolarHBondContact O-N 3.16Å; F28-C32 PolarHBondContact O-SG 2.92Å; F28-C32 VanDerWaalsContact O-SG 3.33Å; R29-C32 CarbonylContact O-C 3.46Å; R29-C32 PolarHBondContact O-N 3.49Å
33K78.6Confident81.7Confident134 Ų13479.9 Ų79.958%0.58343%0.432SS*.  trans-56.4144.6176.4-81.4178.4-176.7-170.40111.9R30 D31 G35 K36R30-K33 WeakPolarHBondContact O-CG 3.43Å; D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 2.98Å; K33-G35 PolarHBondContact O-N 3.39Å; K33-K36 PolarHBondContact O-N 3.22Å
34V69.6Low81.3Confident157 Ų15785.3 Ų85.395%0.95245%0.451SS*.THydrogen-bonded Turntrans-51.4134.4169.9-177.40000109.5
35G74.5Confident80.8Confident81 Ų8185.4 Ų85.484%0.83546%0.461SS*.THydrogen-bonded Turntrans95.3-5.2-179.300000115.3K33K33-G35 PolarHBondContact O-N 3.39Å
36K79.7Confident80.1Confident105 Ų10588.1 Ų88.146%0.45748%0.475SS..  trans-95.4127.2170.7-66.5-170.9-179.3178.60111.3D31 K33 R38D31-K36 IonicContact OD1-NZ 3.95Å; K33-K36 PolarHBondContact O-N 3.22Å; K36-R38 VanDerWaalsContact CD-NH2 3.34Å
37S83.7Confident79.2Confident86 Ų8687.8 Ų87.860%0.60148%0.476SS*.  trans-72.3147171.6-55.30000111.5
38R85.1Confident78.5Confident57 Ų5793.7 Ų93.722%0.21550%0.504CS..  trans-138.1151.7179-61.8-65.5176.6-120.717.3108.9D31 K36 L55 N57D31-R38 PolarHBondContact O-NH2 3.36Å; D31-R38 IonicContact OD1-NH2 3.74Å; K36-R38 VanDerWaalsContact CD-NH2 3.34Å; R38-L55 HydrophobicContact CB-CD1 3.78Å; R38-L55 HydrophobicContact CB-CG 4.46Å; R38-L55 HydrophobicContact CG-CD1 4.31Å; R38-N57 WeakPolarHBondContact CD-OD1 3.39Å; R38-N57 PolarHBondContact NE-OD1 3.33Å; R38-N57 PolarHBondContact NH1-OD1 3.44Å; R38-N57 PolarHBondContact NH2-OD1 2.85Å
39L87.1Confident78.1Confident82 Ų8295.3 Ų95.343%0.42953%0.529SS..EExtended strand (participates in β ladder)trans-90.7131.5170.1-59170.9000107.7Y56 M58L39-Y56 PolarHBondContact N-O 3.45Å; L39-Y56 PolarHBondContact O-N 3.16Å; L39-M58 HydrophobicContact CD2-SD 4.3Å; L39-M58 HydrophobicContact CG-SD 4.23Å
40V87.9Confident77.9Confident68 Ų6889.4 Ų89.441%0.41251%0.509SS..EExtended strand (participates in β ladder)trans-118.7122.4179.2-176.90000107.1F42 V53 N54 L55V40-F42 HydrophobicContact CG1-CE1 4.33Å; V40-F42 HydrophobicContact CG1-CE2 4.18Å; V40-F42 HydrophobicContact CG1-CZ 4.08Å; V40-V53 HydrophobicContact CG1-CB 3.75Å; V40-V53 HydrophobicContact CG1-CG1 3.73Å; V40-V53 HydrophobicContact CG1-CG2 4.29Å; V40-N54 WeakPolarHBondContact CA-O 3.27Å; V40-L55 HydrophobicContact CG2-CD1 3.76Å
41N88.8Confident77.8Confident86 Ų8684.3 Ų84.346%0.4649%0.494SS..EExtended strand (participates in β ladder)trans-102.2122167.6-17125.8000108.3V53 N54 Y56N41-V53 CarbonylContact O-C 3.52Å; N41-V53 VanDerWaalsContact O-CA 3.28Å; N41-V53 WeakPolarHBondContact O-CA 3.38Å; N41-N54 HydrophobicContact CB-CB 4.31Å; N41-N54 PolarHBondContact N-O 2.94Å; N41-N54 PolarHBondContact O-N 2.89Å; N41-Y56 HydrophobicContact CB-CE2 3.93Å
42F86.5Confident78Confident110 Ų11083.5 Ų83.548%0.48249%0.49SS..EExtended strand (participates in β ladder)trans-81.1131.8175.2-64.8-86.3000108.6V40 L51 V53V40-F42 HydrophobicContact CG1-CE1 4.33Å; V40-F42 HydrophobicContact CG1-CE2 4.18Å; V40-F42 HydrophobicContact CG1-CZ 4.08Å; F42-L51 HydrophobicContact CE1-CD1 4.43Å; F42-V53 HydrophobicContact CD1-CG1 3.59Å; F42-V53 HydrophobicContact CE1-CG1 3.86Å; F42-V53 HydrophobicContact CG-CG1 4.35Å
43C82.5Confident78.4Confident31 Ų3181.9 Ų81.921%0.20948%0.479CS..EExtended strand (participates in β ladder)trans-98.8141175.6-62.50000109.3I13 G45 S52I13-C43 HydrophobicContact CD1-CB 3.55Å; I13-C43 WeakPolarHBondContact CD1-SG 3.5Å; C43-G45 PolarHBondContact O-N 3.05Å; C43-S52 PolarHBondContact N-O 2.9Å
44D69.7Low78.8Confident182 Ų18277.2 Ų77.297%0.97346%0.46SS*.EExtended strand (participates in β ladder)trans-71.583.8176.9-66.8-30.2000108.8
45G66.6Low79.7Confident38 Ų3871 Ų7139%0.39242%0.421SS..EExtended strand (participates in β ladder)trans173.5112.8-177.600000111.5C43 S52C43-G45 PolarHBondContact O-N 3.05Å; G45-S52 VanDerWaalsContact O-CB 3.27Å; G45-S52 WeakPolarHBondContact O-CB 3.5Å; G45-S52 PolarHBondContact O-N 2.79Å; G45-S52 PolarHBondContact O-OG 3.3Å
46L66.6Low80.3Confident117 Ų11769.8 Ų69.861%0.61339%0.392SS*.EExtended strand (participates in β ladder)trans-84.3120.6166.3-73.6130.5000108G49 I50 L51L46-G49 WeakPolarHBondContact CD2-O 3.4Å; L46-I50 WeakPolarHBondContact CA-O 3.23Å; L46-L51 HydrophobicContact CD2-CD2 4.25Å; L46-L51 HydrophobicContact CD2-CG 4.38Å; L46-L51 HydrophobicContact CG-CD2 4.47Å
47T63.6Low80.6Confident65 Ų6565.4 Ų65.440%0.39937%0.374SS..EExtended strand (participates in β ladder)trans-97.2118.1167.6-51.40000106.3G49 I50 S52T47-G49 PolarHBondContact O-N 3.46Å; T47-G49 VanDerWaalsContact O-N 3.15Å; T47-I50 PolarHBondContact N-O 2.84Å; T47-I50 WeakPolarHBondContact O-CB 3.33Å; T47-I50 PolarHBondContact O-N 2.87Å; T47-S52 PolarHBondContact OG1-OG 2.88Å
48D68.8Low80.6Confident152 Ų15266.7 Ų66.781%0.81337%0.372SS*.THydrogen-bonded Turntrans53.733.9-178.3-57.5-29.9000115.1I50D48-I50 PolarHBondContact O-N 3.28Å
49G73.9Confident80.6Confident65 Ų6570.8 Ų70.867%0.6740%0.398SS*.THydrogen-bonded Turntrans749.2-176.900000114.3L46 T47L46-G49 WeakPolarHBondContact CD2-O 3.4Å; T47-G49 PolarHBondContact O-N 3.46Å; T47-G49 VanDerWaalsContact O-N 3.15Å
50I79Confident80.5Confident28 Ų2869.1 Ų69.114%0.14440%0.4CS..EExtended strand (participates in β ladder)trans-105.9136.9175.9-56.9171000108.9R9 Q11 L46 T47 D48 S52R9-I50 HydrophobicContact CG-CG2 4.26Å; Q11-I50 HydrophobicContact CB-CG2 3.88Å; L46-I50 WeakPolarHBondContact CA-O 3.23Å; T47-I50 PolarHBondContact N-O 2.84Å; T47-I50 WeakPolarHBondContact O-CB 3.33Å; T47-I50 PolarHBondContact O-N 2.87Å; D48-I50 PolarHBondContact O-N 3.28Å; I50-S52 PolarHBondContact O-N 3.43Å
51L82.1Confident80.4Confident58 Ų5869.1 Ų69.130%0.30440%0.403SS..EExtended strand (participates in β ladder)trans-66.5123177.7-74.3165.2000110.5I8 C10 Q11 F42 L46I8-L51 HydrophobicContact CG2-CD1 3.82Å; C10-L51 CarbonylContact C-O 3.56Å; C10-L51 VanDerWaalsContact CA-O 3.26Å; C10-L51 WeakPolarHBondContact CA-O 3.27Å; C10-L51 WeakPolarHBondContact CB-O 3.32Å; Q11-L51 PolarHBondContact N-O 2.86Å; F42-L51 HydrophobicContact CE1-CD1 4.43Å; L46-L51 HydrophobicContact CD2-CD2 4.25Å; L46-L51 HydrophobicContact CD2-CG 4.38Å; L46-L51 HydrophobicContact CG-CD2 4.47Å
52S84.8Confident80.2Confident10 Ų1066.6 Ų66.67%0.0739%0.389CS..EExtended strand (participates in β ladder)trans-81.6131.7174.9-48.10000109.6Q11 C43 G45 T47 I50Q11-S52 CarbonylContact O-C 3.53Å; Q11-S52 WeakPolarHBondContact O-CA 3.44Å; C43-S52 PolarHBondContact N-O 2.9Å; G45-S52 VanDerWaalsContact O-CB 3.27Å; G45-S52 WeakPolarHBondContact O-CB 3.5Å; G45-S52 PolarHBondContact O-N 2.79Å; G45-S52 PolarHBondContact O-OG 3.3Å; T47-S52 PolarHBondContact OG1-OG 2.88Å; I50-S52 PolarHBondContact O-N 3.43Å
53V88.2Confident80.1Confident7 Ų761.4 Ų61.44%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-135149.7-176.9-59.70000112.3C10 Q11 I12 I13 V40 N41 F42C10-V53 HydrophobicContact CB-CB 4.43Å; C10-V53 HydrophobicContact CB-CG1 3.8Å; C10-V53 HydrophobicContact CB-CG2 3.71Å; Q11-V53 PolarHBondContact O-N 3.18Å; I12-V53 VanDerWaalsContact CA-O 3.32Å; I12-V53 WeakPolarHBondContact CA-O 3.4Å; I12-V53 HydrophobicContact CG1-CG2 4.44Å; I13-V53 PolarHBondContact N-O 3.36Å; V40-V53 HydrophobicContact CG1-CB 3.75Å; V40-V53 HydrophobicContact CG1-CG1 3.73Å; V40-V53 HydrophobicContact CG1-CG2 4.29Å; N41-V53 CarbonylContact O-C 3.52Å; N41-V53 VanDerWaalsContact O-CA 3.28Å; N41-V53 WeakPolarHBondContact O-CA 3.38Å; F42-V53 HydrophobicContact CD1-CG1 3.59Å; F42-V53 HydrophobicContact CE1-CG1 3.86Å; F42-V53 HydrophobicContact CG-CG1 4.35Å
54N86.8Confident80.2Confident36 Ų3661 Ų6119%0.19336%0.361CS..EExtended strand (participates in β ladder)trans-99132.7161.1-65.8-26000109.1V40 N41 Y56V40-N54 WeakPolarHBondContact CA-O 3.27Å; N41-N54 HydrophobicContact CB-CB 4.31Å; N41-N54 PolarHBondContact N-O 2.94Å; N41-N54 PolarHBondContact O-N 2.89Å; N54-Y56 HydrophobicContact CB-CD2 4.48Å; N54-Y56 HydrophobicContact CB-CE2 3.5Å; N54-Y56 VanDerWaalsContact CB-CE2 3.5Å; N54-Y56 WeakPolarHBondContact CB-OH 3.29Å; N54-Y56 PolarHBondContact ND2-OH 3.11Å
55L88.2Confident80.9Confident26 Ų2657.5 Ų57.514%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-111.9125.1-176.4-169.672.7000109.8I12 F28 R38 V40 L63I12-L55 HydrophobicContact CD1-CB 4.41Å; I12-L55 HydrophobicContact CD1-CD2 4.24Å; F28-L55 HydrophobicContact CE2-CD2 4.37Å; F28-L55 HydrophobicContact CZ-CD2 3.77Å; R38-L55 HydrophobicContact CB-CD1 3.78Å; R38-L55 HydrophobicContact CB-CG 4.46Å; R38-L55 HydrophobicContact CG-CD1 4.31Å; V40-L55 HydrophobicContact CG2-CD1 3.76Å; L55-L63 HydrophobicContact CD2-CB 4.45Å; L55-L63 HydrophobicContact CD2-CD1 3.6Å; L55-L63 HydrophobicContact CG-CD1 3.85Å; L55-L63 WeakPolarHBondContact O-CB 3.24Å; L55-L63 PolarHBondContact O-N 2.79Å
56Y87.2Confident81.7Confident56 Ų5661 Ų6122%0.2235%0.346CS..EExtended strand (participates in β ladder)trans-122.6152179.7-48.1-98.6000111.3L39 N41 N54 C61 D62L39-Y56 PolarHBondContact N-O 3.45Å; L39-Y56 PolarHBondContact O-N 3.16Å; N41-Y56 HydrophobicContact CB-CE2 3.93Å; N54-Y56 HydrophobicContact CB-CD2 4.48Å; N54-Y56 HydrophobicContact CB-CE2 3.5Å; N54-Y56 VanDerWaalsContact CB-CE2 3.5Å; N54-Y56 WeakPolarHBondContact CB-OH 3.29Å; N54-Y56 PolarHBondContact ND2-OH 3.11Å; Y56-C61 CarbonylContact C-O 3.56Å; Y56-C61 VanDerWaalsContact CA-O 3.27Å; Y56-C61 WeakPolarHBondContact CA-O 3.3Å; Y56-D62 HydrophobicContact CD1-CB 3.81Å; Y56-D62 HydrophobicContact CE1-CB 3.77Å
57N85.3Confident82.4Confident13 Ų1357.1 Ų57.17%0.0733%0.325CS..  trans-71166.8163.4-79-22.8000110.8R38 D59 G60 C61 L63R38-N57 WeakPolarHBondContact CD-OD1 3.39Å; R38-N57 PolarHBondContact NE-OD1 3.33Å; R38-N57 PolarHBondContact NH1-OD1 3.44Å; R38-N57 PolarHBondContact NH2-OD1 2.85Å; N57-D59 PolarHBondContact O-N 3.01Å; N57-D59 VanDerWaalsContact O-N 3.16Å; N57-G60 PolarHBondContact O-N 3.35Å; N57-C61 HydrophobicContact CB-CB 4.46Å; N57-C61 PolarHBondContact N-O 2.8Å; N57-L63 WeakPolarHBondContact ND2-CD2 3.42Å; N57-L63 WeakPolarHBondContact OD1-CD1 3.48Å; N57-L63 WeakPolarHBondContact OD1-CD2 3.33Å
58M84.1Confident83.2Confident114 Ų11454.3 Ų54.356%0.56231%0.307SS*.THydrogen-bonded Turntrans-61.4-22.1176.7-65.2-57.8-62.400113.1L39 G60L39-M58 HydrophobicContact CD2-SD 4.3Å; L39-M58 HydrophobicContact CG-SD 4.23Å; M58-G60 PolarHBondContact O-N 3.21Å
59D85.9Confident83.7Confident142 Ų14247.5 Ų47.576%0.75927%0.273SS*.THydrogen-bonded Turntrans-78.71.8174.2-47.5-54.1000113.1N57 C61N57-D59 PolarHBondContact O-N 3.01Å; N57-D59 VanDerWaalsContact O-N 3.16Å; D59-C61 VanDerWaalsContact C-N 3.27Å; D59-C61 PolarHBondContact O-N 3.49Å
60G84.2Confident83.9Confident47 Ų4750.5 Ų50.549%0.48527%0.269SS..SBendtrans79.72.6-176.100000114.7N57 M58 D62N57-G60 PolarHBondContact O-N 3.35Å; M58-G60 PolarHBondContact O-N 3.21Å; G60-D62 PolarHBondContact O-N 2.85Å
61C84.9Confident83.7Confident69 Ų6950.8 Ų50.847%0.46627%0.271SS..  trans-72.1123.8176.7-65.20000111.4Y56 N57 D59 L63Y56-C61 CarbonylContact C-O 3.56Å; Y56-C61 VanDerWaalsContact CA-O 3.27Å; Y56-C61 WeakPolarHBondContact CA-O 3.3Å; N57-C61 HydrophobicContact CB-CB 4.46Å; N57-C61 PolarHBondContact N-O 2.8Å; D59-C61 VanDerWaalsContact C-N 3.27Å; D59-C61 PolarHBondContact O-N 3.49Å; C61-L63 PolarHBondContact O-N 3.44Å
62D86.3Confident83.4Confident33 Ų3351.4 Ų51.418%0.17627%0.271CS..BIsolated β-bridgetrans-65.1117.8174.6-173.1-33.2000110.7Y56 G60 F64 L65 K66Y56-D62 HydrophobicContact CD1-CB 3.81Å; Y56-D62 HydrophobicContact CE1-CB 3.77Å; G60-D62 PolarHBondContact O-N 2.85Å; D62-F64 VanDerWaalsContact C-N 3.33Å; D62-F64 WeakPolarHBondContact OD1-CA 3.47Å; D62-F64 VanDerWaalsContact OD1-CB 3.26Å; D62-F64 WeakPolarHBondContact OD1-CB 3.13Å; D62-F64 PolarHBondContact OD1-N 2.9Å; D62-L65 HydrophobicContact CB-CB 4.13Å; D62-L65 HydrophobicContact CB-CD1 4.03Å; D62-L65 HydrophobicContact CB-CG 4.27Å; D62-L65 PolarHBondContact OD1-N 3.15Å; D62-K66 VanDerWaalsContact O-CB 3.29Å; D62-K66 WeakPolarHBondContact O-CB 3.43Å; D62-K66 PolarHBondContact O-N 3.42Å
63L83.8Confident83.1Confident0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-71.5-28.2-178.6-78.6179000112.7F28 L55 N57 C61 K66 H67F28-L63 HydrophobicContact CE2-CB 4.04Å; L55-L63 HydrophobicContact CD2-CB 4.45Å; L55-L63 HydrophobicContact CD2-CD1 3.6Å; L55-L63 HydrophobicContact CG-CD1 3.85Å; L55-L63 WeakPolarHBondContact O-CB 3.24Å; L55-L63 PolarHBondContact O-N 2.79Å; N57-L63 WeakPolarHBondContact ND2-CD2 3.42Å; N57-L63 WeakPolarHBondContact OD1-CD1 3.48Å; N57-L63 WeakPolarHBondContact OD1-CD2 3.33Å; C61-L63 PolarHBondContact O-N 3.44Å; L63-K66 HydrophobicContact CD2-CD 4.06Å; L63-H67 PolarHBondContact O-CD2 3.24Å; L63-H67 VanDerWaalsContact O-CD2 3.3Å; L63-H67 PolarHBondContact O-N 2.91Å
64F84.7Confident82.7Confident24 Ų2464.9 Ų64.911%0.10532%0.323CS..Hα-helixtrans-66.4-51.9174.7-179.3-96.1000110I12 I13 G14 F20 D62 K66 H67 F68 F72I12-F64 HydrophobicContact CG2-CB 3.95Å; I12-F64 HydrophobicContact CG2-CD2 3.76Å; I12-F64 HydrophobicContact CG2-CG 4.2Å; I13-F64 WeakPolarHBondContact O-CD2 3.4Å; I13-F64 WeakPolarHBondContact O-CE2 3.44Å; G14-F64 VanDerWaalsContact C-CZ 3.5Å; G14-F64 WeakPolarHBondContact O-CE2 3.41Å; G14-F64 WeakPolarHBondContact O-CZ 3.18Å; F20-F64 HydrophobicContact CE1-CE2 4.48Å; F20-F64 AromaticContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CZ 4.44Å; D62-F64 VanDerWaalsContact C-N 3.33Å; D62-F64 WeakPolarHBondContact OD1-CA 3.47Å; D62-F64 VanDerWaalsContact OD1-CB 3.26Å; D62-F64 WeakPolarHBondContact OD1-CB 3.13Å; D62-F64 PolarHBondContact OD1-N 2.9Å; F64-K66 VanDerWaalsContact C-N 3.31Å; F64-K66 PolarHBondContact O-N 3.03Å; F64-H67 PolarHBondContact O-N 3.43Å; F64-F68 HydrophobicContact CB-CD2 4.45Å; F64-F68 HydrophobicContact CD2-CB 4.36Å; F64-F68 AromaticContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CD2 3.45Å; F64-F68 VanDerWaalsContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CE2 4.09Å; F64-F68 HydrophobicContact CD2-CG 4.2Å; F64-F68 HydrophobicContact CE2-CB 4.17Å; F64-F68 AromaticContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CG 4.16Å; F64-F68 HydrophobicContact CG-CD2 4.03Å; F64-F68 HydrophobicContact CZ-CB 4.26Å; F64-F68 WeakPolarHBondContact O-CA 3.4Å; F64-F68 VanDerWaalsContact O-CB 3.3Å; F64-F68 WeakPolarHBondContact O-CB 3.31Å; F64-F68 VanDerWaalsContact O-CD2 3.3Å; F64-F68 WeakPolarHBondContact O-CD2 3.28Å; F64-F68 PolarHBondContact O-N 3.13Å; F64-F72 HydrophobicContact CE1-CD2 4.19Å; F64-F72 AromaticContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE2-CE2 4.21Å; F64-F72 HydrophobicContact CZ-CD2 4.14Å; F64-F72 AromaticContact CZ-CE2 3.29Å; F64-F72 HydrophobicContact CZ-CE2 3.29Å; F64-F72 AromaticContact CZ-CZ 3.82Å; F64-F72 HydrophobicContact CZ-CZ 3.82Å
65L83.5Confident82.2Confident107 Ų10770 Ų7056%0.5634%0.34SS*.Hα-helixtrans-63.8-36.7178.6-70.3172.8000112.3D62 H67 G69D62-L65 HydrophobicContact CB-CB 4.13Å; D62-L65 HydrophobicContact CB-CD1 4.03Å; D62-L65 HydrophobicContact CB-CG 4.27Å; D62-L65 PolarHBondContact OD1-N 3.15Å; L65-H67 PolarHBondContact O-N 2.89Å; L65-G69 WeakPolarHBondContact O-CA 3.33Å; L65-G69 PolarHBondContact O-N 3.47Å
66K84.3Confident81.9Confident112 Ų11273.5 Ų73.549%0.48736%0.356SS..Hα-helixtrans-60.1-44.9178.1-176.9-175.5176.6-169.90112.7D31 D62 L63 F64D31-K66 IonicContact OD2-NZ 3.59Å; D31-K66 PolarHBondContact OD2-NZ 3.2Å; D62-K66 VanDerWaalsContact O-CB 3.29Å; D62-K66 WeakPolarHBondContact O-CB 3.43Å; D62-K66 PolarHBondContact O-N 3.42Å; L63-K66 HydrophobicContact CD2-CD 4.06Å; F64-K66 VanDerWaalsContact C-N 3.31Å; F64-K66 PolarHBondContact O-N 3.03Å
67H80.9Confident81.7Confident36 Ų3676 Ų7617%0.16737%0.37CS..Hα-helixtrans-95.1-33.7-174.1-71.4-75.3000113.1I24 F28 D31 L63 F64 L65I24-H67 HydrophobicContact CG2-CB 4.37Å; I24-H67 WeakPolarHBondContact CG2-O 3.45Å; F28-H67 HydrophobicContact CD2-CB 4.38Å; F28-H67 AromaticContact CD2-CD2 3.68Å; D31-H67 IonicContact OD2-CE1 3.05Å; D31-H67 IonicContact OD2-NE2 2.81Å; D31-H67 PolarHBondContact OD2-NE2 2.93Å; L63-H67 PolarHBondContact O-CD2 3.24Å; L63-H67 VanDerWaalsContact O-CD2 3.3Å; L63-H67 PolarHBondContact O-N 2.91Å; F64-H67 PolarHBondContact O-N 3.43Å; L65-H67 PolarHBondContact O-N 2.89Å
68F80.8Confident81.4Confident6 Ų677.3 Ų77.33%0.02638%0.382CS..Hα-helixtrans-110.7-18.7-173.1-51.2-73.9000113.2F20 I24 L25 F28 F64 E70 L71 F72F20-F68 HydrophobicContact CB-CE1 4.18Å; F20-F68 AromaticContact CD1-CD1 3.12Å; F20-F68 HydrophobicContact CD1-CD1 3.12Å; F20-F68 AromaticContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CG 4.04Å; F20-F68 HydrophobicContact CD1-CZ 4.48Å; F20-F68 HydrophobicContact CD2-CE1 4.08Å; F20-F68 HydrophobicContact CE1-CB 3.94Å; F20-F68 AromaticContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD2 4.46Å; F20-F68 AromaticContact CE1-CE1 3.7Å; F20-F68 HydrophobicContact CE1-CE1 3.7Å; F20-F68 AromaticContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE2-CE1 4.35Å; F20-F68 AromaticContact CG-CD1 3.86Å; F20-F68 HydrophobicContact CG-CD1 3.86Å; F20-F68 AromaticContact CG-CE1 3.58Å; F20-F68 HydrophobicContact CG-CE1 3.58Å; F20-F68 AromaticContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CE1 4.18Å; F20-F68 HydrophobicContact CZ-CG 4.19Å; I24-F68 HydrophobicContact CB-CE1 4.48Å; I24-F68 HydrophobicContact CG2-CD1 3.52Å; I24-F68 HydrophobicContact CG2-CE1 3.4Å; I24-F68 VanDerWaalsContact CG2-CE1 3.4Å; I24-F68 HydrophobicContact CG2-CZ 4.28Å; L25-F68 HydrophobicContact CD2-CE1 4.38Å; L25-F68 HydrophobicContact CD2-CZ 4.33Å; F28-F68 HydrophobicContact CB-CZ 4.34Å; F28-F68 AromaticContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CZ 4.28Å; F28-F68 HydrophobicContact CE2-CE2 4.36Å; F28-F68 HydrophobicContact CG-CE2 4.43Å; F28-F68 HydrophobicContact CG-CZ 4.32Å; F64-F68 HydrophobicContact CB-CD2 4.45Å; F64-F68 HydrophobicContact CD2-CB 4.36Å; F64-F68 AromaticContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CD2 3.45Å; F64-F68 VanDerWaalsContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CE2 4.09Å; F64-F68 HydrophobicContact CD2-CG 4.2Å; F64-F68 HydrophobicContact CE2-CB 4.17Å; F64-F68 AromaticContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CG 4.16Å; F64-F68 HydrophobicContact CG-CD2 4.03Å; F64-F68 HydrophobicContact CZ-CB 4.26Å; F64-F68 WeakPolarHBondContact O-CA 3.4Å; F64-F68 VanDerWaalsContact O-CB 3.3Å; F64-F68 WeakPolarHBondContact O-CB 3.31Å; F64-F68 VanDerWaalsContact O-CD2 3.3Å; F64-F68 WeakPolarHBondContact O-CD2 3.28Å; F64-F68 PolarHBondContact O-N 3.13Å; F68-E70 VanDerWaalsContact C-N 3.26Å; F68-E70 PolarHBondContact O-N 2.91Å; F68-L71 HydrophobicContact CD1-CD1 4.3Å; F68-L71 WeakPolarHBondContact O-CB 3.24Å; F68-L71 PolarHBondContact O-N 3.1Å; F68-F72 HydrophobicContact CB-CD2 4.13Å; F68-F72 HydrophobicContact CB-CE2 3.95Å; F68-F72 VanDerWaalsContact O-CD2 3.24Å; F68-F72 WeakPolarHBondContact O-CD2 3.38Å; F68-F72 PolarHBondContact O-N 3.1Å; F68-F72 VanDerWaalsContact O-N 3.11Å
69G78.7Confident81.3Confident8 Ų877.8 Ų77.88%0.08238%0.383CS..Hα-helixtrans-57.5-36.8-176.500000113.5L65 F72 R73L65-G69 WeakPolarHBondContact O-CA 3.33Å; L65-G69 PolarHBondContact O-N 3.47Å; G69-F72 PolarHBondContact O-N 3.26Å; G69-R73 WeakPolarHBondContact O-CG 3.41Å; G69-R73 PolarHBondContact O-N 2.79Å
70E78Confident81.1Confident129 Ų12976.9 Ų76.960%0.60337%0.368SS*.Hα-helixtrans-67.3-36.6174.6-68.1-161.5162.300113.2F68 R73 K74F68-E70 VanDerWaalsContact C-N 3.26Å; F68-E70 PolarHBondContact O-N 2.91Å; E70-R73 PolarHBondContact O-N 3.4Å; E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 WeakPolarHBondContact O-CG 3.32Å; E70-K74 PolarHBondContact O-N 3.38Å
71L75.9Confident81.1Confident33 Ų3380.8 Ų80.817%0.17337%0.374CS..Hα-helixtrans-62.7-46.2175.6-73.9178.9000110.9F20 Y21 I24 F68 R73 K74 R75F20-L71 HydrophobicContact CD1-CD1 4.1Å; Y21-L71 HydrophobicContact CD2-CD1 4.44Å; Y21-L71 HydrophobicContact CD2-CD2 3.89Å; Y21-L71 HydrophobicContact CE2-CD2 3.86Å; I24-L71 HydrophobicContact CD1-CD1 3.34Å; I24-L71 HydrophobicContact CD1-CD2 3.54Å; I24-L71 HydrophobicContact CD1-CG 3.49Å; I24-L71 VanDerWaalsContact CD1-CG 3.49Å; I24-L71 HydrophobicContact CG2-CD1 4.44Å; F68-L71 HydrophobicContact CD1-CD1 4.3Å; F68-L71 WeakPolarHBondContact O-CB 3.24Å; F68-L71 PolarHBondContact O-N 3.1Å; L71-R73 VanDerWaalsContact C-N 3.35Å; L71-R73 PolarHBondContact O-N 3.32Å; L71-K74 PolarHBondContact O-N 2.85Å; L71-R75 WeakPolarHBondContact O-CB 3.26Å; L71-R75 PolarHBondContact O-N 3.47Å
72F75.8Confident80.8Confident72 Ų7286.8 Ų86.832%0.31639%0.387SS..Hα-helixtrans-62.6-43179.1-77.6-78.2000111.2T19 F20 F64 F68 G69 K74 R75 E76T19-F72 HydrophobicContact CG2-CE1 4.38Å; T19-F72 HydrophobicContact CG2-CZ 4.18Å; F20-F72 AromaticContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CZ 4.25Å; F20-F72 HydrophobicContact CZ-CE2 4.42Å; F20-F72 HydrophobicContact CZ-CZ 4.47Å; F64-F72 HydrophobicContact CE1-CD2 4.19Å; F64-F72 AromaticContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE2-CE2 4.21Å; F64-F72 HydrophobicContact CZ-CD2 4.14Å; F64-F72 AromaticContact CZ-CE2 3.29Å; F64-F72 HydrophobicContact CZ-CE2 3.29Å; F64-F72 AromaticContact CZ-CZ 3.82Å; F64-F72 HydrophobicContact CZ-CZ 3.82Å; F68-F72 HydrophobicContact CB-CD2 4.13Å; F68-F72 HydrophobicContact CB-CE2 3.95Å; F68-F72 VanDerWaalsContact O-CD2 3.24Å; F68-F72 WeakPolarHBondContact O-CD2 3.38Å; F68-F72 PolarHBondContact O-N 3.1Å; F68-F72 VanDerWaalsContact O-N 3.11Å; G69-F72 PolarHBondContact O-N 3.26Å; F72-K74 PolarHBondContact O-N 3.03Å; F72-R75 PolarHBondContact O-N 2.81Å; F72-E76 VanDerWaalsContact O-CB 3.3Å; F72-E76 WeakPolarHBondContact O-CB 3.2Å; F72-E76 PolarHBondContact O-N 3.47Å
73R77.9Confident80.6Confident168 Ų16891.8 Ų91.863%0.63441%0.407SS*.Hα-helixtrans-60.6-45.1174.5-71.6179.3-166.7170.94.3112.5G69 E70 L71 E76 Q77G69-R73 WeakPolarHBondContact O-CG 3.41Å; G69-R73 PolarHBondContact O-N 2.79Å; E70-R73 PolarHBondContact O-N 3.4Å; L71-R73 VanDerWaalsContact C-N 3.35Å; L71-R73 PolarHBondContact O-N 3.32Å; R73-E76 PolarHBondContact O-N 2.94Å; R73-Q77 WeakPolarHBondContact O-CB 3.36Å; R73-Q77 VanDerWaalsContact O-CG 3.29Å; R73-Q77 WeakPolarHBondContact O-CG 3.26Å; R73-Q77 PolarHBondContact O-N 3.44Å
74K79.2Confident80.5Confident132 Ų13295.5 Ų95.557%0.57443%0.425SS*.Hα-helixtrans-64.6-41.5178.1-76.1178.8-179.2172.60111.7E70 L71 F72 Q77 A78E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 WeakPolarHBondContact O-CG 3.32Å; E70-K74 PolarHBondContact O-N 3.38Å; L71-K74 PolarHBondContact O-N 2.85Å; F72-K74 PolarHBondContact O-N 3.03Å; K74-Q77 PolarHBondContact O-N 2.95Å; K74-A78 WeakPolarHBondContact O-CB 3.22Å; K74-A78 PolarHBondContact O-N 3.34Å
75R76.7Confident80.1Confident142 Ų14296.5 Ų96.554%0.53644%0.438SS..Hα-helixtrans-63.5-47.1176.6-175.5177.9-179.3172.31.5111.3T19 L71 F72 Q77 A78 E79T19-R75 PolarHBondContact OG1-NH1 3.32Å; L71-R75 WeakPolarHBondContact O-CB 3.26Å; L71-R75 PolarHBondContact O-N 3.47Å; F72-R75 PolarHBondContact O-N 2.81Å; R75-Q77 VanDerWaalsContact C-N 3.33Å; R75-Q77 PolarHBondContact O-N 3.05Å; R75-A78 PolarHBondContact O-N 3.44Å; R75-E79 WeakPolarHBondContact O-CB 3.33Å; R75-E79 PolarHBondContact O-N 3.49Å
76E81.7Confident79.7Confident100 Ų10094 Ų9447%0.46743%0.432SS..Hα-helixtrans-61.5-41.2177.4-166.7-158.5152.300111.4F72 R73 E79 R80F72-E76 VanDerWaalsContact O-CB 3.3Å; F72-E76 WeakPolarHBondContact O-CB 3.2Å; F72-E76 PolarHBondContact O-N 3.47Å; R73-E76 PolarHBondContact O-N 2.94Å; E76-E79 PolarHBondContact O-N 3.31Å; E76-R80 WeakPolarHBondContact O-CB 3.3Å; E76-R80 PolarHBondContact O-N 3.11Å; E76-R80 IonicContact OE1-CZ 3.59Å; E76-R80 IonicContact OE1-NH1 3.52Å; E76-R80 IonicContact OE1-NH2 2.8Å; E76-R80 PolarHBondContact OE1-NH2 2.97Å
77Q82.7Confident79.1Confident110 Ų11094.1 Ų94.151%0.51443%0.434SS..Hα-helixtrans-64.8-43.1174.3-75.5177.5-3.200112.2R73 K74 R75 E79 R80 Q81R73-Q77 WeakPolarHBondContact O-CB 3.36Å; R73-Q77 VanDerWaalsContact O-CG 3.29Å; R73-Q77 WeakPolarHBondContact O-CG 3.26Å; R73-Q77 PolarHBondContact O-N 3.44Å; K74-Q77 PolarHBondContact O-N 2.95Å; R75-Q77 VanDerWaalsContact C-N 3.33Å; R75-Q77 PolarHBondContact O-N 3.05Å; Q77-E79 VanDerWaalsContact C-N 3.32Å; Q77-E79 PolarHBondContact O-N 3.06Å; Q77-R80 PolarHBondContact O-N 2.94Å; Q77-Q81 VanDerWaalsContact O-CG 3.32Å; Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.29Å
78A80.6Confident78.4Confident39 Ų39100.8 Ų100.832%0.32246%0.458SS..Hα-helixtrans-63.9-39176.800000111.6K74 R75 Q81 R82K74-A78 WeakPolarHBondContact O-CB 3.22Å; K74-A78 PolarHBondContact O-N 3.34Å; R75-A78 PolarHBondContact O-N 3.44Å; A78-Q81 PolarHBondContact O-N 2.85Å; A78-R82 VanDerWaalsContact O-CG 3.27Å; A78-R82 WeakPolarHBondContact O-CG 3.3Å; A78-R82 PolarHBondContact O-N 3.27Å
79E81.7Confident77.3Confident125 Ų125110.6 Ų110.658%0.58450%0.495SS*.Hα-helixtrans-67.3-42.8175.1-172.7170.3-169.100111.8R75 E76 Q77 Q81 R82 K83R75-E79 WeakPolarHBondContact O-CB 3.33Å; R75-E79 PolarHBondContact O-N 3.49Å; E76-E79 PolarHBondContact O-N 3.31Å; Q77-E79 VanDerWaalsContact C-N 3.32Å; Q77-E79 PolarHBondContact O-N 3.06Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-Q81 PolarHBondContact O-N 2.96Å; E79-R82 WeakPolarHBondContact O-CB 3.42Å; E79-R82 PolarHBondContact O-N 2.85Å; E79-K83 WeakPolarHBondContact O-CB 3.39Å; E79-K83 PolarHBondContact O-N 3.3Å
80R82Confident76.2Confident122 Ų122112.7 Ų112.746%0.4650%0.504SS..Hα-helixtrans-57.8-46172.7-174.9178.1-74.5109.51.9111.2E76 Q77 R82 K83 E84E76-R80 WeakPolarHBondContact O-CB 3.3Å; E76-R80 PolarHBondContact O-N 3.11Å; E76-R80 IonicContact OE1-CZ 3.59Å; E76-R80 IonicContact OE1-NH1 3.52Å; E76-R80 IonicContact OE1-NH2 2.8Å; E76-R80 PolarHBondContact OE1-NH2 2.97Å; Q77-R80 PolarHBondContact O-N 2.94Å; R80-R82 PolarHBondContact O-N 3.42Å; R80-K83 PolarHBondContact O-N 3.29Å; R80-E84 WeakPolarHBondContact O-CB 3.35Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 2.91Å
81Q82.2Confident75.1Confident130 Ų130109.3 Ų109.361%0.60749%0.492SS*.Hα-helixtrans-63.7-38.9176.3-73.1175.59.100112.6Q77 A78 E79 A85Q77-Q81 VanDerWaalsContact O-CG 3.32Å; Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.29Å; A78-Q81 PolarHBondContact O-N 2.85Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-Q81 PolarHBondContact O-N 2.96Å; Q81-A85 VanDerWaalsContact O-CB 3.23Å; Q81-A85 WeakPolarHBondContact O-CB 3.29Å; Q81-A85 PolarHBondContact O-N 3.48Å
82R79.2Confident74.3Confident194 Ų194114.7 Ų114.773%0.73251%0.514SS*.Hα-helixtrans-64.2-42.8175-75.6172.8-177.3-172.10.4111.5A78 E79 R80 A85 A86A78-R82 VanDerWaalsContact O-CG 3.27Å; A78-R82 WeakPolarHBondContact O-CG 3.3Å; A78-R82 PolarHBondContact O-N 3.27Å; E79-R82 WeakPolarHBondContact O-CB 3.42Å; E79-R82 PolarHBondContact O-N 2.85Å; R80-R82 PolarHBondContact O-N 3.42Å; R82-A85 PolarHBondContact O-N 2.86Å; R82-A86 WeakPolarHBondContact O-CB 3.35Å; R82-A86 PolarHBondContact O-N 3.06Å
83K82.4Confident73.4Confident138 Ų138116 Ų11660%0.652%0.524SS*.Hα-helixtrans-64.1-47.3176.7-169.5176.6178.6178.40111.5E79 R80 A85 A86 E87E79-K83 WeakPolarHBondContact O-CB 3.39Å; E79-K83 PolarHBondContact O-N 3.3Å; R80-K83 PolarHBondContact O-N 3.29Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-A85 PolarHBondContact O-N 2.92Å; K83-A86 WeakPolarHBondContact O-CB 3.43Å; K83-A86 PolarHBondContact O-N 3.23Å; K83-E87 WeakPolarHBondContact CE-OE1 3.4Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.9Å
84E81.2Confident72.4Confident78 Ų78110.2 Ų110.236%0.36451%0.505SS..Hα-helixtrans-61.6-37.9175-73.4178.7-155.500112.5R80 E87 R88R80-E84 WeakPolarHBondContact O-CB 3.35Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 2.91Å; E84-E87 PolarHBondContact O-N 3.2Å; E84-R88 WeakPolarHBondContact O-CB 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.39Å; E84-R88 PolarHBondContact O-N 2.95Å; E84-R88 IonicContact OE2-NH2 3.75Å
85A77.4Confident71.5Confident46 Ų46115.3 Ų115.338%0.3852%0.521SS..Hα-helixtrans-68.8-37.6176.200000112.4Q81 R82 K83 R88 R89Q81-A85 VanDerWaalsContact O-CB 3.23Å; Q81-A85 WeakPolarHBondContact O-CB 3.29Å; Q81-A85 PolarHBondContact O-N 3.48Å; R82-A85 PolarHBondContact O-N 2.86Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-A85 PolarHBondContact O-N 2.92Å; A85-R88 PolarHBondContact O-N 3.45Å; A85-R89 WeakPolarHBondContact O-CG 3.45Å; A85-R89 PolarHBondContact O-N 2.81Å
86A75.6Confident70.9Confident53 Ų53114.9 Ų114.944%0.43853%0.534SS..Hα-helixtrans-63.8-45.917300000111R82 K83 R88 R89R82-A86 WeakPolarHBondContact O-CB 3.35Å; R82-A86 PolarHBondContact O-N 3.06Å; K83-A86 WeakPolarHBondContact O-CB 3.43Å; K83-A86 PolarHBondContact O-N 3.23Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 2.84Å; A86-R89 PolarHBondContact O-N 3.3Å; A86-R89 VanDerWaalsContact O-N 3.16Å
87E71Confident70Confident115 Ų115114.3 Ų114.354%0.53754%0.538SS..Hα-helixtrans-61-38.2176.1-71.8172.3-169.100112.2K83 E84K83-E87 WeakPolarHBondContact CE-OE1 3.4Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.9Å; E84-E87 PolarHBondContact O-N 3.2Å
88R66.1Low68.8Low177 Ų177111.7 Ų111.767%0.66854%0.541SS*.Hα-helixtrans-72.5-28.4176.4-74.2-180-171.5151.611.9113.7E84 A85 A86 N90 V91E84-R88 WeakPolarHBondContact O-CB 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.39Å; E84-R88 PolarHBondContact O-N 2.95Å; E84-R88 IonicContact OE2-NH2 3.75Å; A85-R88 PolarHBondContact O-N 3.45Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 2.84Å; R88-N90 PolarHBondContact O-N 2.96Å; R88-V91 PolarHBondContact O-N 3.36Å
89R57.3Low67.7Low212 Ų212113.5 Ų113.580%0.855%0.548SS*.Hα-helixtrans-64.6-27.3178.2-83.2178.1178.7179.80.1112.7A85 A86 V91A85-R89 WeakPolarHBondContact O-CG 3.45Å; A85-R89 PolarHBondContact O-N 2.81Å; A86-R89 PolarHBondContact O-N 3.3Å; A86-R89 VanDerWaalsContact O-N 3.16Å; R89-V91 PolarHBondContact O-N 3.13Å
90N55.5Low66.6Low52 Ų52112.3 Ų112.328%0.27855%0.545SS..THydrogen-bonded Turntrans-84.56.9178.3-68-15.9000113.8R88 R102 V103 D105R88-N90 PolarHBondContact O-N 2.96Å; N90-R102 WeakPolarHBondContact O-CA 3.42Å; N90-V103 PolarHBondContact O-N 3.21Å; N90-D105 VanDerWaalsContact ND2-CG 3.29Å; N90-D105 PolarHBondContact ND2-OD1 3.12Å
91V56Low65.6Low57 Ų57110.6 Ų110.635%0.34554%0.544SS..EExtended strand (participates in β ladder)trans-118.899.4178.8-178.60000109.4R88 R89 L100R88-V91 PolarHBondContact O-N 3.36Å; R89-V91 PolarHBondContact O-N 3.13Å; V91-L100 HydrophobicContact CG1-CD2 3.29Å; V91-L100 HydrophobicContact CG1-CG 3.62Å; V91-L100 HydrophobicContact CG2-CD2 4.49Å
92K57.8Low64.5Low146 Ų146114.1 Ų114.164%0.63555%0.551SS**EExtended strand (participates in β ladder)trans-93.5116.5165.9-74.2-178.6-179.1172.70108.2D94 I101K92-D94 PolarHBondContact O-N 2.9Å; K92-I101 PolarHBondContact N-O 3.37Å; K92-I101 VanDerWaalsContact N-O 3.12Å; K92-I101 PolarHBondContact O-N 3.24Å
93L57.7Low63.5Low101 Ų101108 Ų10853%0.52954%0.536SS..EExtended strand (participates in β ladder)trans-77.7116166.7-170.779.2000107.7R95 L100L93-R95 PolarHBondContact O-N 3.18Å; L93-L100 HydrophobicContact CD1-CD1 3.7Å; L93-L100 HydrophobicContact CD1-CG 4.31Å
94D57Low62.2Low45 Ų45106.2 Ų106.224%0.24154%0.538CS..  trans-70.9110.5168.1178.36.5000108.8K92 T96 T97 G98 T99 I101K92-D94 PolarHBondContact O-N 2.9Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 PolarHBondContact OD1-N 3Å; D94-T96 PolarHBondContact OD1-OG1 2.9Å; D94-T97 WeakPolarHBondContact CB-OG1 3.48Å; D94-T97 VanDerWaalsContact CG-OG1 3.23Å; D94-T97 PolarHBondContact O-N 3.22Å; D94-T97 WeakPolarHBondContact OD2-CG2 3.27Å; D94-T97 PolarHBondContact OD2-OG1 2.77Å; D94-G98 WeakPolarHBondContact O-CA 3.48Å; D94-G98 PolarHBondContact O-N 3.29Å; D94-T99 PolarHBondContact N-O 3.48Å; D94-I101 HydrophobicContact CB-CD1 4.06Å
95R59.9Low61Low240 Ų240108.2 Ų108.291%0.90655%0.551SS**THydrogen-bonded Turntrans-67-18.2-179-70.8-174.7175.2178.9-1.3113L93L93-R95 PolarHBondContact O-N 3.18Å
96T63.1Low59.7Low132 Ų132113.2 Ų113.281%0.8157%0.571SS**THydrogen-bonded Turntrans-86.4-30.7-17910.30000113.2D94D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 PolarHBondContact OD1-N 3Å; D94-T96 PolarHBondContact OD1-OG1 2.9Å
97T63.4Low58.4Low89 Ų89114 Ų11455%0.54657%0.573SS.*THydrogen-bonded Turntrans-113-11.2-178.958.90000114.1D94 T99D94-T97 WeakPolarHBondContact CB-OG1 3.48Å; D94-T97 VanDerWaalsContact CG-OG1 3.23Å; D94-T97 PolarHBondContact O-N 3.22Å; D94-T97 WeakPolarHBondContact OD2-CG2 3.27Å; D94-T97 PolarHBondContact OD2-OG1 2.77Å; T97-T99 WeakPolarHBondContact CB-OG1 3.39Å; T97-T99 PolarHBondContact O-N 2.97Å; T97-T99 WeakPolarHBondContact OG1-CB 3.35Å; T97-T99 PolarHBondContact OG1-N 3.37Å; T97-T99 PolarHBondContact OG1-OG1 3.3Å
98G58.8Low57.5Low55 Ų55115.6 Ų115.657%0.56759%0.585SS**  trans71.26-172.900000113.6D94D94-G98 WeakPolarHBondContact O-CA 3.48Å; D94-G98 PolarHBondContact O-N 3.29Å
99T55.8Low56.8Low77 Ų77115.2 Ų115.247%0.47259%0.591SS.*  trans-85.2131.7-174.6-41.20000110.5D94 T97 I101D94-T99 PolarHBondContact N-O 3.48Å; T97-T99 WeakPolarHBondContact CB-OG1 3.39Å; T97-T99 PolarHBondContact O-N 2.97Å; T97-T99 WeakPolarHBondContact OG1-CB 3.35Å; T97-T99 PolarHBondContact OG1-N 3.37Å; T97-T99 PolarHBondContact OG1-OG1 3.3Å; T99-I101 PolarHBondContact O-N 2.79Å
100L59.4Low56.4Low99 Ų99112.2 Ų112.252%0.51859%0.591SS.*EExtended strand (participates in β ladder)trans-72.5110.7166.3-105.192.4000108.8V91 L93 R102V91-L100 HydrophobicContact CG1-CD2 3.29Å; V91-L100 HydrophobicContact CG1-CG 3.62Å; V91-L100 HydrophobicContact CG2-CD2 4.49Å; L93-L100 HydrophobicContact CD1-CD1 3.7Å; L93-L100 HydrophobicContact CD1-CG 4.31Å; L100-R102 PolarHBondContact O-N 3.36Å
101I61.1Low55.8Low86 Ų86119.9 Ų119.944%0.44162%0.618SS.*EExtended strand (participates in β ladder)trans-90.6103.8168.3-54.7175.8000106.6K92 D94 T99 V103K92-I101 PolarHBondContact N-O 3.37Å; K92-I101 VanDerWaalsContact N-O 3.12Å; K92-I101 PolarHBondContact O-N 3.24Å; D94-I101 HydrophobicContact CB-CD1 4.06Å; T99-I101 PolarHBondContact O-N 2.79Å; I101-V103 HydrophobicContact CG2-CG2 4.44Å; I101-V103 PolarHBondContact O-N 2.85Å
102R58.5Low55.3Low204 Ų204124.5 Ų124.577%0.7764%0.64SS**EExtended strand (participates in β ladder)trans-75107.8164.3-72.1-174.7179.2-170.2-0.8106.9N90 L100N90-R102 WeakPolarHBondContact O-CA 3.42Å; L100-R102 PolarHBondContact O-N 3.36Å
103V58.1Low54.2Low66 Ų66127.9 Ų127.940%0.465%0.654SS.*  trans-74.7125.8169.4-1720000105.6N90 I101 D105N90-V103 PolarHBondContact O-N 3.21Å; I101-V103 HydrophobicContact CG2-CG2 4.44Å; I101-V103 PolarHBondContact O-N 2.85Å; V103-D105 PolarHBondContact O-N 3.37Å
104P55.1Low53.6Low101 Ų101128 Ų12866%0.65666%0.664SS**  trans-55.4133.9175.621.3-30.1000108.8L106P104-L106 PolarHBondContact O-N 3.5Å
105D56.1Low53Low119 Ų119134.2 Ų134.264%0.63669%0.692SS**  trans-60.6101.5174-148.617.3000106.1N90 V103 S107N90-D105 VanDerWaalsContact ND2-CG 3.29Å; N90-D105 PolarHBondContact ND2-OD1 3.12Å; V103-D105 PolarHBondContact O-N 3.37Å; D105-S107 PolarHBondContact O-N 2.87Å
106L49.5Very low52.2Low151 Ų151129.9 Ų129.979%0.79169%0.686SS**  trans-72.582.8165.8-66.8174.9000104.7P104 D108P104-L106 PolarHBondContact O-N 3.5Å; L106-D108 PolarHBondContact O-N 3.31Å
107S49.2Very low51.4Low71 Ų71131.3 Ų131.350%0.49768%0.684SS.*  trans-57.8123.1162.754.40000106.7D105 E109D105-S107 PolarHBondContact O-N 2.87Å; S107-E109 PolarHBondContact O-N 3.46Å
108D52.4Low50.2Low147 Ų147134.1 Ų134.179%0.78670%0.695SS**G310 helixtrans-60.320.5175.4-84.7-26000113.9L106 D110L106-D108 PolarHBondContact O-N 3.31Å; D108-D110 VanDerWaalsContact C-N 3.33Å
109E51.6Low49.3Very low170 Ų170139.3 Ų139.379%0.79470%0.703SS**G310 helixtrans-87.71.4-179.6-63.9-67.1149.800113.1S107S107-E109 PolarHBondContact O-N 3.46Å
110D47.4Very low48.6Very low148 Ų148144.4 Ų144.479%0.79172%0.718SS**G310 helixtrans-107.75.5175.4-78.7-28000114.1D108 L112D108-D110 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3.01Å; D110-L112 VanDerWaalsContact O-N 3.13Å
111Y44Very low47.6Very low214 Ų214146 Ų14684%0.83973%0.732SS**SBendtrans-85.886.2166.8-102.8-88.6000110.2F113Y111-F113 PolarHBondContact O-N 3.42Å
112L44.7Very low46.6Very low154 Ų154148 Ų14881%0.80675%0.748SS**  trans-30.7124.5165.9-67.4162.9000112.2D110 S114D110-L112 PolarHBondContact O-N 3.01Å; D110-L112 VanDerWaalsContact O-N 3.13Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.43Å
113F35.8Very low45.8Very low216 Ų216149.4 Ų149.495%0.94775%0.753SS**  trans-50.698.8154.3-84.8-100.3000108.6Y111Y111-F113 PolarHBondContact O-N 3.42Å
114S44.5Very low44.9Very low103 Ų103155.4 Ų155.472%0.7278%0.777SS**  trans-117.1113.7151.561.60000106.8L112L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.43Å
115E44.5Very low44.4Very low177 Ų177155.7 Ų155.783%0.82778%0.782SS**  trans-49.5141.2168-61.8169.8139.900109.3
116D42.2Very low43.8Very low148 Ų148158.2 Ų158.279%0.79180%0.795SS**  trans69.7105.1174.2-50.6-34.2000115.8
117E46.3Very low43.9Very low163 Ų163159.4 Ų159.476%0.76279%0.794SS**  176.5113.8124.4-94.5-177.8163.500111.9F119E117-F119 HydrophobicContact CB-CD2 3.99Å; E117-F119 HydrophobicContact CB-CE2 3.8Å; E117-F119 HydrophobicContact CG-CE2 4.13Å; E117-F119 PolarHBondContact O-N 2.84Å; E117-F119 WeakPolarHBondContact OE2-CE2 3.31Å
118D39.4Very low43.5Very low147 Ų147162.5 Ų162.579%0.78681%0.812SS**  trans-64.7117166.7-74.4-47.5000110.4
119F40.3Very low43.1Very low165 Ų165159.7 Ų159.772%0.72480%0.804SS**  trans-131.2111.7164.2-79.4-78.1000112.6E117E117-F119 HydrophobicContact CB-CD2 3.99Å; E117-F119 HydrophobicContact CB-CE2 3.8Å; E117-F119 HydrophobicContact CG-CE2 4.13Å; E117-F119 PolarHBondContact O-N 2.84Å; E117-F119 WeakPolarHBondContact OE2-CE2 3.31Å
120F39.8Very low42.4Very low183 Ų183156.4 Ų156.480%0.80381%0.806SS**  trans-89.3126.6165.7-65.3-92.8000109.6
121V40Very low42Very low134 Ų134156.8 Ų156.881%0.81281%0.806SS**  trans-104.7100.1167.7-178.50000109
122V40.1Very low41.6Very low127 Ų127151.7 Ų151.777%0.7780%0.797SS**  trans-83.5121.4168.2177.90000108.3
123R40.7Very low41.4Very low234 Ų234148.2 Ų148.288%0.88379%0.791SS**  trans-98107.6165.5-83.3-170.8174.4-176.50.1109.4S125R123-S125 PolarHBondContact O-N 2.96Å
124E39.2Very low41.7Very low191 Ų191145 Ų14589%0.89378%0.784SS**  trans-72.7117.7163.1-93.9-178.1150.500109.8
125S44.3Very low41.4Very low108 Ų108150.4 Ų150.476%0.75579%0.788SS**  trans-106.4109.416553.40000109.5R123 K127R123-S125 PolarHBondContact O-N 2.96Å; S125-K127 PolarHBondContact O-N 2.88Å
126N43.3Very low40.9Very low172 Ų172150.2 Ų150.292%0.9279%0.788SS**  trans-64.895.1172-116.4-16.2000110.2
127K51.8Low40.7Very low176 Ų176148.2 Ų148.277%0.76578%0.78SS**  trans-170.9127.6156.5-105.6162.5-169.9-177.60110.1S125 S129S125-K127 PolarHBondContact O-N 2.88Å; K127-S129 PolarHBondContact O-N 3.23Å
128P40.9Very low40.3Very low136 Ų136145.7 Ų145.788%0.88378%0.776SS**  trans-78.392.1178.832.6-30.3000108.4
129S43.3Very low39.9Very low87 Ų87141.5 Ų141.561%0.60877%0.767SS**  trans-127.2119.7169.9-37.50000106.3K127 I131K127-S129 PolarHBondContact O-N 3.23Å; S129-I131 PolarHBondContact O-N 3.41Å
130A37.7Very low39.7Very low101 Ų101141 Ų14184%0.83577%0.771SS**  trans-47100.7-176.400000112T132A130-T132 VanDerWaalsContact C-N 3.27Å; A130-T132 PolarHBondContact O-N 3.46Å; A130-T132 VanDerWaalsContact O-N 3.16Å
131I38.8Very low39.6Very low157 Ų157135.9 Ų135.981%0.80576%0.763SS**  trans-82.887.2163.9-59.4175.2000104.9S129 A133S129-I131 PolarHBondContact O-N 3.41Å; I131-A133 PolarHBondContact O-N 3.05Å
132T36.5Very low39.5Very low106 Ų106137.1 Ų137.165%0.6577%0.765SS**  trans-6397.8157.6-49.10000105.8A130 N134A130-T132 VanDerWaalsContact C-N 3.27Å; A130-T132 PolarHBondContact O-N 3.46Å; A130-T132 VanDerWaalsContact O-N 3.16Å; T132-N134 PolarHBondContact O-N 2.81Å
133A41.1Very low39.7Very low81 Ų81134.3 Ų134.367%0.66975%0.751SS**  trans-62.890.2168.900000107.4I131 R135I131-A133 PolarHBondContact O-N 3.05Å; A133-R135 PolarHBondContact O-N 2.91Å
134N40.3Very low39.5Very low149 Ų149130.5 Ų130.580%0.79775%0.754SS**  trans-70.872.2164.1-72.7-29.4000107.7T132 E136T132-N134 PolarHBondContact O-N 2.81Å; N134-E136 VanDerWaalsContact C-N 3.25Å; N134-E136 PolarHBondContact O-N 3.33Å
135R38.1Very low39.7Very low216 Ų216129.9 Ų129.982%0.81575%0.749SS**  trans-86.378.5162.8-158.8-171.8167.8139.2-4.1105.4A133 V137A133-R135 PolarHBondContact O-N 2.91Å; R135-V137 HydrophobicContact CG-CG2 4Å; R135-V137 PolarHBondContact O-N 3.35Å
136E35.4Very low39.6Very low174 Ų174128.8 Ų128.881%0.81375%0.746SS**  trans-74.275.2166.5-133.3179.3-170.400107.4N134 V138N134-E136 VanDerWaalsContact C-N 3.25Å; N134-E136 PolarHBondContact O-N 3.33Å; E136-V138 HydrophobicContact CG-CG2 4.18Å; E136-V138 PolarHBondContact O-N 3.49Å; E136-V138 VanDerWaalsContact O-N 3.11Å
137V37.2Very low39.6Very low105 Ų105128.4 Ų128.464%0.63674%0.744SS**  trans-69.695150.6-178.10000103.6R135 G139R135-V137 HydrophobicContact CG-CG2 4Å; R135-V137 PolarHBondContact O-N 3.35Å; V137-G139 PolarHBondContact O-N 3.2Å
138V37.4Very low39.5Very low110 Ų110128.2 Ų128.267%0.66775%0.746SS**  trans-6394.3167.2177.90000106.1E136 L140E136-V138 HydrophobicContact CG-CG2 4.18Å; E136-V138 PolarHBondContact O-N 3.49Å; E136-V138 VanDerWaalsContact O-N 3.11Å; V138-L140 PolarHBondContact O-N 3.45Å; V138-L140 VanDerWaalsContact O-N 3.1Å
139G31.6Very low39.8Very low59 Ų59129.4 Ų129.461%0.60875%0.745SS**  trans-63.6105.4169.700000108.5V137 A141V137-G139 PolarHBondContact O-N 3.2Å; G139-A141 PolarHBondContact O-N 3.02Å
140L36.4Very low40.3Very low155 Ų155135.2 Ų135.281%0.81275%0.754SS**  trans-74.974.9148.1-100.2138.3000107.1V138V138-L140 PolarHBondContact O-N 3.45Å; V138-L140 VanDerWaalsContact O-N 3.1Å
141A38.1Very low41Very low76 Ų76135.9 Ų135.963%0.62875%0.749SS**  trans-70.1135.9157.100000107.9G139G139-A141 PolarHBondContact O-N 3.02Å
142N38.4Very low41.6Very low160 Ų160133.6 Ų133.686%0.85675%0.747SS**  trans68.870.6164.7-54.2-12.2000116.3
143S42.4Very low42.1Very low68 Ų68136.2 Ų136.248%0.47676%0.756SS.*  trans-130102.5142.856.20000109.2F145S143-F145 PolarHBondContact O-N 3.25Å; S143-F145 WeakPolarHBondContact OG-CD2 3.45Å; S143-F145 VanDerWaalsContact OG-CE2 3.31Å; S143-F145 WeakPolarHBondContact OG-CE2 3.4Å
144T37.9Very low42.4Very low154 Ų154137.2 Ų137.295%0.94576%0.759SS**  trans-5889.1160.69.90000107.5
145F42.9Very low42.2Very low177 Ų177141.8 Ų141.878%0.77677%0.765SS**  trans-85.3108.6163.4-85.3-82.8000106.9S143 D147S143-F145 PolarHBondContact O-N 3.25Å; S143-F145 WeakPolarHBondContact OG-CD2 3.45Å; S143-F145 VanDerWaalsContact OG-CE2 3.31Å; S143-F145 WeakPolarHBondContact OG-CE2 3.4Å; F145-D147 PolarHBondContact O-N 3.03Å
146A43.4Very low42.9Very low85 Ų85140.6 Ų140.670%0.70279%0.79SS**  trans-57.7120.8163.900000107.8E148A146-E148 PolarHBondContact O-N 3.33Å
147D42.7Very low43.3Very low165 Ų165139 Ų13988%0.88279%0.789SS**  trans-64.884.8165.2-128.5-5.6000106.2F145 D149F145-D147 PolarHBondContact O-N 3.03Å; D147-D149 PolarHBondContact O-N 3.36Å
148E49.4Very low43.6Very low172 Ų172140.7 Ų140.780%0.80480%0.797SS**  trans-76.4110.3170-94.1-175123.200108.5A146 W150A146-E148 PolarHBondContact O-N 3.33Å; E148-W150 PolarHBondContact O-N 2.93Å
149D47.2Very low43.9Very low160 Ų160142.4 Ų142.486%0.85680%0.804SS**  trans-32.3111.1178.5-76.3-60.3000114.6D147D147-D149 PolarHBondContact O-N 3.36Å
150W52.6Low44.7Very low209 Ų209147.4 Ų147.479%0.79282%0.815SS**  trans-78.6132.1154.4-81.682.9000108.7E148 S152E148-W150 PolarHBondContact O-N 2.93Å; W150-S152 PolarHBondContact O-N 3.16Å
151P54.1Low45.2Very low115 Ų115146.9 Ų146.975%0.74782%0.816SS**  trans-63.3113.1179.824.7-31.4000109.2L153P151-L153 PolarHBondContact O-N 2.81Å
152S51.7Low45.7Very low109 Ų109151.6 Ų151.676%0.76283%0.828SS**  trans-64.5117.6168.931.30000108W150 S154W150-S152 PolarHBondContact O-N 3.16Å; S152-S154 PolarHBondContact O-N 3.43Å
153L45.8Very low46.2Very low161 Ų161151 Ų15184%0.84383%0.826SS**  trans-71.484166.8-77.4163.9000107.5P151 R155P151-L153 PolarHBondContact O-N 2.81Å; L153-R155 PolarHBondContact O-N 3.26Å
154S48.6Very low46.5Very low103 Ų103157.4 Ų157.472%0.7285%0.853SS**  trans-64.6117.2160.646.10000108.1S152 S156S152-S154 PolarHBondContact O-N 3.43Å; S154-S156 PolarHBondContact O-N 3.2Å
155R36.2Very low47.2Very low245 Ų245157.7 Ų157.793%0.92585%0.845SS**  trans-64.9121.9162.6-74.9177.2166.2-159.4-3.4108.1L153L153-R155 PolarHBondContact O-N 3.26Å
156S51.7Low47.6Very low191 Ų191155.9 Ų155.9100%1.33685%0.852SS**  trans-143.30155.3-57.10000107.4S154S154-S156 PolarHBondContact O-N 3.2Å

Retrieved 156 of 156 residues in 93.1 ms (Link to these results)