A0A087XVG3_POEFO Loading...

Flap endonuclease 1

Structure-specific nuclease with 5'-flap endonuclease and 5'-3' exonuclease activities involved in DNA replication and repair. During DNA replication, cleaves the 5'-overhanging flap structure that is generated by displacement synthesis when DNA polymerase encounters the 5'-end of a downstream Okazaki fragment. It enters the flap from the 5'-end and then tracks to cleave the flap base, leaving a nick for ligation. Also involved in the long patch base excision repair (LP-BER) pathway, by cleaving within the apurinic/apyrimidinic (AP) site-terminated flap. Acts as a genome stabilization factor that prevents flaps from equilibrating into structures that lead to duplications and deletions. Also possesses 5'-3' exonuclease activity on nicked or gapped double-stranded DNA, and exhibits RNase H activity. Also involved in replication and repair of rDNA and in repairing mitochondrial DNA.

AlphaFold DB , UniProt , Accession A0A087XVG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 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
1M68.5Low92Very high99 Ų9946.5 Ų46.549%0.48826%0.26SS..  0-152.60-94.5170.6-93.500105I3 M37 Y40 E182 D183M1-I3 PolarHBondContact O-N 3.35Å; M1-I3 VanDerWaalsContact O-N 3.09Å; M1-M37 HydrophobicContact CE-CE 3.27Å; M1-M37 HydrophobicContact CE-SD 3.37Å; M1-M37 WeakPolarHBondContact CE-SD 3.08Å; M1-Y40 HydrophobicContact CE-CD1 3.92Å; M1-Y40 HydrophobicContact CE-CE1 3.81Å; M1-E182 PolarHBondContact N-O 2.97Å; M1-D183 VanDerWaalsContact CA-OD2 3.32Å; M1-D183 WeakPolarHBondContact CA-OD2 3.19Å; M1-D183 WeakPolarHBondContact CB-OD2 3.33Å
2G86.9Confident92.3Very high9 Ų951.1 Ų51.19%0.09328%0.284CS..  trans64.2-99.5175.900000114.3D183G2-D183 WeakPolarHBondContact CA-OD1 3.42Å; G2-D183 PolarHBondContact N-OD1 3.07Å; G2-D183 PolarHBondContact N-OD2 3.17Å
3I94.8Very high92.5Very high7 Ų752 Ų524%0.03628%0.284CS..SBendtrans-89.9116.9-171.1-45.1-56000112.8M1 G5 L6 D185 T188 C231 L234 G235 C236 F287M1-I3 PolarHBondContact O-N 3.35Å; M1-I3 VanDerWaalsContact O-N 3.09Å; I3-G5 PolarHBondContact O-N 3.42Å; I3-L6 HydrophobicContact CB-CB 3.83Å; I3-L6 HydrophobicContact CB-CD2 3.75Å; I3-L6 HydrophobicContact CB-CG 4.43Å; I3-L6 HydrophobicContact CG1-CD2 3.97Å; I3-L6 HydrophobicContact CG2-CB 3.74Å; I3-L6 HydrophobicContact CG2-CD2 3.95Å; I3-L6 HydrophobicContact CG2-CG 4.36Å; I3-L6 PolarHBondContact O-N 3.4Å; I3-D185 HydrophobicContact CD1-CB 4.36Å; I3-D185 HydrophobicContact CG1-CB 4.31Å; I3-T188 HydrophobicContact CD1-CG2 4.18Å; I3-T188 HydrophobicContact CG1-CG2 4.03Å; I3-C231 HydrophobicContact CD1-CB 4Å; I3-C231 HydrophobicContact CG1-CB 4.08Å; I3-C231 HydrophobicContact CG2-CB 3.81Å; I3-L234 HydrophobicContact CG2-CB 3.89Å; I3-L234 HydrophobicContact CG2-CD1 4.01Å; I3-G235 WeakPolarHBondContact CA-O 3.47Å; I3-C236 HydrophobicContact CD1-CB 3.47Å; I3-C236 VanDerWaalsContact CD1-CB 3.47Å; I3-F287 HydrophobicContact CD1-CZ 4.21Å
4H93.2Very high92.8Very high140 Ų14048.3 Ų48.365%0.64826%0.264SS*.THydrogen-bonded Turntrans-64.4122.3-176.1-170.974.1000112.5L6 G235H4-L6 PolarHBondContact O-N 3.22Å; H4-L6 VanDerWaalsContact O-N 3.13Å; H4-G235 PolarHBondContact N-O 3.48Å
5G92.9Very high93Very high33 Ų3350.7 Ų50.734%0.3428%0.283SS..THydrogen-bonded Turntrans71.51.8174.500000116I3 A7 K8 L9I3-G5 PolarHBondContact O-N 3.42Å; G5-A7 PolarHBondContact O-N 3.11Å; G5-K8 PolarHBondContact O-N 2.88Å; G5-L9 PolarHBondContact O-N 3.41Å
6L96Very high93.2Very high0 Ų050.3 Ų50.30%029%0.294CS..Hα-helixtrans-60.1-44.7-175.2179.556.8000113.1I3 H4 K8 L9 I10 M184 F227 L234I3-L6 HydrophobicContact CB-CB 3.83Å; I3-L6 HydrophobicContact CB-CD2 3.75Å; I3-L6 HydrophobicContact CB-CG 4.43Å; I3-L6 HydrophobicContact CG1-CD2 3.97Å; I3-L6 HydrophobicContact CG2-CB 3.74Å; I3-L6 HydrophobicContact CG2-CD2 3.95Å; I3-L6 HydrophobicContact CG2-CG 4.36Å; I3-L6 PolarHBondContact O-N 3.4Å; H4-L6 PolarHBondContact O-N 3.22Å; H4-L6 VanDerWaalsContact O-N 3.13Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.15Å; L6-L9 HydrophobicContact CD1-CD2 4.48Å; L6-L9 PolarHBondContact O-N 3.2Å; L6-L9 VanDerWaalsContact O-N 3.14Å; L6-I10 HydrophobicContact CD1-CD1 3.84Å; L6-I10 HydrophobicContact CD1-CG1 3.98Å; L6-I10 HydrophobicContact CG-CD1 3.76Å; L6-I10 HydrophobicContact CG-CG1 4.38Å; L6-I10 WeakPolarHBondContact O-CG1 3.41Å; L6-I10 PolarHBondContact O-N 3.04Å; L6-M184 HydrophobicContact CB-CB 4.39Å; L6-M184 HydrophobicContact CD2-CB 3.9Å; L6-M184 HydrophobicContact CG-CB 4.42Å; L6-M184 HydrophobicContact CG-CE 4.33Å; L6-F227 HydrophobicContact CD1-CE2 4.14Å; L6-F227 HydrophobicContact CD1-CZ 4.04Å; L6-F227 HydrophobicContact CD2-CZ 4.04Å; L6-L234 HydrophobicContact CB-CD1 4.24Å; L6-L234 HydrophobicContact CD1-CD1 3.98Å
7A95Very high93.4Very high26 Ų2647.4 Ų47.422%0.21528%0.277CS..Hα-helixtrans-58.6-40.7179.200000112.5G5 A11 M184G5-A7 PolarHBondContact O-N 3.11Å; A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 2.93Å; A7-M184 HydrophobicContact CB-CE 4.04Å; A7-M184 HydrophobicContact CB-CG 4.34Å; A7-M184 HydrophobicContact CB-SD 4.09Å
8K95.4Very high93.6Very high147 Ų14746.8 Ų46.864%0.63927%0.272SS*.Hα-helixtrans-68.3-43.3176-177.1178.1178.4178.90111.2G5 L6 I10 A11 D12G5-K8 PolarHBondContact O-N 2.88Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.15Å; K8-I10 VanDerWaalsContact C-N 3.31Å; K8-I10 PolarHBondContact O-N 3.11Å; K8-A11 PolarHBondContact O-N 3.15Å; K8-D12 VanDerWaalsContact O-CG 3.32Å; K8-D12 PolarHBondContact O-N 3.05Å
9L96Very high93.8Very high5 Ų549.4 Ų49.43%0.02628%0.28CS..Hα-helixtrans-59.3-42.9177.4-179.3145.8000111.7G5 L6 D12 H13 I220 L230 L234 P247 I251G5-L9 PolarHBondContact O-N 3.41Å; L6-L9 HydrophobicContact CD1-CD2 4.48Å; L6-L9 PolarHBondContact O-N 3.2Å; L6-L9 VanDerWaalsContact O-N 3.14Å; L9-D12 PolarHBondContact O-N 3.06Å; L9-H13 WeakPolarHBondContact O-CB 3.35Å; L9-H13 PolarHBondContact O-N 3.39Å; L9-H13 PolarHBondContact O-ND1 3.04Å; L9-I220 HydrophobicContact CD2-CD1 4.06Å; L9-L230 HydrophobicContact CD2-CD2 4.2Å; L9-L234 HydrophobicContact CD1-CD1 4.25Å; L9-L234 HydrophobicContact CD1-CD2 4.08Å; L9-P247 HydrophobicContact CD1-CB 3.94Å; L9-I251 HydrophobicContact CD1-CB 4.44Å; L9-I251 HydrophobicContact CD2-CD1 4.49Å
10I96.7Very high93.9Very high0 Ų053.2 Ų53.20%030%0.295CS..Hα-helixtrans-64.8-43.6175.6-63.7161.8000110.4L6 K8 D12 H13 A14 I18 M184 L187 F211 I216L6-I10 HydrophobicContact CD1-CD1 3.84Å; L6-I10 HydrophobicContact CD1-CG1 3.98Å; L6-I10 HydrophobicContact CG-CD1 3.76Å; L6-I10 HydrophobicContact CG-CG1 4.38Å; L6-I10 WeakPolarHBondContact O-CG1 3.41Å; L6-I10 PolarHBondContact O-N 3.04Å; K8-I10 VanDerWaalsContact C-N 3.31Å; K8-I10 PolarHBondContact O-N 3.11Å; I10-D12 PolarHBondContact O-N 3.29Å; I10-H13 PolarHBondContact O-N 2.93Å; I10-A14 HydrophobicContact CG2-CB 4.23Å; I10-A14 CarbonylContact O-C 3.52Å; I10-A14 VanDerWaalsContact O-CA 3.29Å; I10-A14 WeakPolarHBondContact O-CA 3.45Å; I10-A14 PolarHBondContact O-N 2.95Å; I10-I18 HydrophobicContact CB-CD1 4.48Å; I10-I18 HydrophobicContact CG2-CD1 3.91Å; I10-I18 HydrophobicContact CG2-CG1 3.9Å; I10-M184 HydrophobicContact CD1-CE 3.69Å; I10-L187 HydrophobicContact CD1-CD1 3.78Å; I10-F211 HydrophobicContact CD1-CD1 4.38Å; I10-F211 HydrophobicContact CG2-CD1 4.31Å; I10-I216 HydrophobicContact CD1-CD1 3.84Å; I10-I216 HydrophobicContact CG1-CD1 4.37Å; I10-I216 HydrophobicContact CG1-CG2 4.24Å; I10-I216 HydrophobicContact CG2-CD1 4.08Å; I10-I216 HydrophobicContact CG2-CG1 3.95Å
11A96.3Very high94Very high45 Ų4553 Ų5337%0.37229%0.292SS..Hα-helixtrans-59.8-37.3176.900000112.5A7 K8 P15 I18A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 2.93Å; K8-A11 PolarHBondContact O-N 3.15Å; A11-P15 WeakPolarHBondContact O-CB 3.28Å; A11-I18 HydrophobicContact CB-CD1 3.93Å
12D95.9Very high95.3Very high102 Ų10252.1 Ų52.155%0.54529%0.289SS..Hα-helixtrans-76.1-37-179.8-68.1-17000112.8K8 L9 I10K8-D12 VanDerWaalsContact O-CG 3.32Å; K8-D12 PolarHBondContact O-N 3.05Å; L9-D12 PolarHBondContact O-N 3.06Å; I10-D12 PolarHBondContact O-N 3.29Å
13H95.3Very high95.6Very high63 Ų6352.2 Ų52.229%0.29229%0.288SS..Hα-helixtrans-109-23.4-170.5-63.380.4000115L9 I10 I220 I251L9-H13 WeakPolarHBondContact O-CB 3.35Å; L9-H13 PolarHBondContact O-N 3.39Å; L9-H13 PolarHBondContact O-ND1 3.04Å; I10-H13 PolarHBondContact O-N 2.93Å; H13-I220 HydrophobicContact CB-CG1 4.27Å; H13-I251 HydrophobicContact CB-CD1 4.4Å
14A96.3Very high95.5Very high0 Ų058.5 Ų58.50%032%0.315CS..  trans-138.853.4-17900000111.8I10 G16 A17 D219 I220I10-A14 HydrophobicContact CG2-CB 4.23Å; I10-A14 CarbonylContact O-C 3.52Å; I10-A14 VanDerWaalsContact O-CA 3.29Å; I10-A14 WeakPolarHBondContact O-CA 3.45Å; I10-A14 PolarHBondContact O-N 2.95Å; A14-G16 PolarHBondContact O-N 2.87Å; A14-A17 HydrophobicContact CB-CB 4.22Å; A14-A17 VanDerWaalsContact O-CB 3.3Å; A14-A17 WeakPolarHBondContact O-CB 3.45Å; A14-A17 PolarHBondContact O-N 3.39Å; A14-D219 HydrophobicContact CB-CB 3.55Å; A14-I220 HydrophobicContact CB-CD1 4.34Å; A14-I220 HydrophobicContact CB-CG1 3.8Å
15P96.5Very high95.6Very high84 Ų8455.5 Ų55.555%0.54530%0.303SS..G310 helixtrans-60.1-29.7-178.424.2-34.1000112.7A11 A17 I18A11-P15 WeakPolarHBondContact O-CB 3.28Å; P15-A17 PolarHBondContact O-N 3.36Å; P15-I18 PolarHBondContact O-N 2.86Å; P15-I18 VanDerWaalsContact O-N 3.15Å
16G95.2Very high95.7Very high45 Ų4554.1 Ų54.146%0.46429%0.288SS..G310 helixtrans-67.1-13.3176.500000114.4A14A14-G16 PolarHBondContact O-N 2.87Å
17A96.7Very high95.6Very high0 Ų058 Ų580%031%0.305CS..G310 helixtrans-86.7-11.1175.300000113.8A14 P15 F211 H212 R215 I216A14-A17 HydrophobicContact CB-CB 4.22Å; A14-A17 VanDerWaalsContact O-CB 3.3Å; A14-A17 WeakPolarHBondContact O-CB 3.45Å; A14-A17 PolarHBondContact O-N 3.39Å; P15-A17 PolarHBondContact O-N 3.36Å; A17-F211 WeakPolarHBondContact O-CA 3.41Å; A17-H212 PolarHBondContact O-N 3.38Å; A17-R215 HydrophobicContact CB-CB 3.81Å; A17-R215 HydrophobicContact CB-CG 3.64Å; A17-I216 HydrophobicContact CB-CB 4.38Å; A17-I216 HydrophobicContact CB-CG1 3.48Å; A17-I216 VanDerWaalsContact CB-CG1 3.48Å
18I97.6Very high95.4Very high38 Ų3857.7 Ų57.720%0.19530%0.304CS..EExtended strand (participates in β ladder)trans-104128.6179-49.7179.4000108.9I10 A11 P15 E210 F211I10-I18 HydrophobicContact CB-CD1 4.48Å; I10-I18 HydrophobicContact CG2-CD1 3.91Å; I10-I18 HydrophobicContact CG2-CG1 3.9Å; A11-I18 HydrophobicContact CB-CD1 3.93Å; P15-I18 PolarHBondContact O-N 2.86Å; P15-I18 VanDerWaalsContact O-N 3.15Å; I18-E210 CarbonylContact C-O 3.55Å; I18-E210 WeakPolarHBondContact CA-O 3.25Å; I18-F211 HydrophobicContact CD1-CD1 4.24Å; I18-F211 HydrophobicContact CD1-CE1 3.62Å; I18-F211 HydrophobicContact CD1-CZ 4.35Å; I18-F211 HydrophobicContact CG1-CD1 3.83Å; I18-F211 HydrophobicContact CG1-CE1 3.7Å; I18-F211 HydrophobicContact CG2-CE1 4.28Å; I18-F211 HydrophobicContact CG2-CZ 4.3Å
19K96.9Very high95.4Very high96 Ų9651.5 Ų51.542%0.41728%0.277SS..EExtended strand (participates in β ladder)trans-122.4143.9171.5-64176.2-174.5157.90110.3Q21 Q209 E210 H212K19-Q21 HydrophobicContact CB-CG 4.4Å; K19-Q209 CarbonylContact O-C 3.53Å; K19-Q209 WeakPolarHBondContact O-CA 2.98Å; K19-E210 HydrophobicContact CB-CB 4.3Å; K19-E210 PolarHBondContact N-O 2.86Å; K19-E210 PolarHBondContact O-N 3.28Å; K19-H212 PolarHBondContact NZ-NE2 3.07Å
20E96.9Very high95.5Very high124 Ų12455.4 Ų55.458%0.57929%0.294SS*.EExtended strand (participates in β ladder)trans-105.9124.7169.1-60.2-159.6149.100108.7P207 V208 Q209E20-P207 HydrophobicContact CB-CB 4.14Å; E20-P207 HydrophobicContact CB-CG 4.25Å; E20-P207 HydrophobicContact CG-CG 4.47Å; E20-V208 WeakPolarHBondContact CA-O 3.22Å; E20-Q209 HydrophobicContact CG-CG 4.21Å; E20-Q209 PolarHBondContact OE1-NE2 2.96Å
21Q94.9Very high95.6Very high49 Ų4955.4 Ų55.423%0.22929%0.294CS..EExtended strand (participates in β ladder)trans-133151.6-176.7-59-150.338.800111.8K19 N25 Y26 V208 E210K19-Q21 HydrophobicContact CB-CG 4.4Å; Q21-N25 PolarHBondContact OE1-ND2 2.78Å; Q21-Y26 HydrophobicContact CB-CE2 4Å; Q21-V208 PolarHBondContact N-O 3.23Å; Q21-V208 PolarHBondContact O-N 3.46Å; Q21-E210 PolarHBondContact NE2-OE2 3.17Å
22D95.3Very high95.7Very high82 Ų8253.3 Ų53.344%0.43928%0.276SS..  trans-70.9144.9167.6-168.5-72.5000109.9K24 N25D22-K24 PolarHBondContact O-N 2.84Å; D22-K24 VanDerWaalsContact O-N 3.14Å; D22-K24 VanDerWaalsContact OD1-CB 3.28Å; D22-K24 WeakPolarHBondContact OD1-CB 3.48Å; D22-K24 WeakPolarHBondContact OD1-CG 3.19Å; D22-K24 PolarHBondContact OD1-N 3.08Å; D22-N25 WeakPolarHBondContact O-CB 3.39Å; D22-N25 PolarHBondContact O-N 2.85Å
23I95Very high95.8Very high11 Ų1148.4 Ų48.46%0.05625%0.25CS..G310 helixtrans-56.9-29.2178.6-168.6168.3000112.5N25 Y26 R73 N77 I79 L198 V208I23-N25 PolarHBondContact O-N 3.31Å; I23-Y26 WeakPolarHBondContact O-CD2 3.33Å; I23-Y26 PolarHBondContact O-N 3.23Å; I23-R73 HydrophobicContact CD1-CG 4.34Å; I23-N77 HydrophobicContact CG1-CB 4.32Å; I23-I79 HydrophobicContact CD1-CD1 4.11Å; I23-I79 HydrophobicContact CG1-CD1 3.6Å; I23-L198 HydrophobicContact CD1-CD1 4.02Å; I23-L198 HydrophobicContact CG1-CD1 4.13Å; I23-V208 HydrophobicContact CB-CG2 4.26Å
24K92.6Very high96Very high139 Ų13945.7 Ų45.760%0.60424%0.238SC*.G310 helixtrans-61.7-25.3177.1-67.8169.6-175.1176.80113.1D22 Y26 F27 N77D22-K24 PolarHBondContact O-N 2.84Å; D22-K24 VanDerWaalsContact O-N 3.14Å; D22-K24 VanDerWaalsContact OD1-CB 3.28Å; D22-K24 WeakPolarHBondContact OD1-CB 3.48Å; D22-K24 WeakPolarHBondContact OD1-CG 3.19Å; D22-K24 PolarHBondContact OD1-N 3.08Å; K24-Y26 PolarHBondContact O-N 3.24Å; K24-F27 PolarHBondContact O-N 2.77Å; K24-N77 WeakPolarHBondContact CG-OD1 3.31Å
25N94.3Very high96Very high76 Ų7645.7 Ų45.741%0.40624%0.238SC..G310 helixtrans-70.1-14.9-179.8-68.7-4.3000112.9Q21 D22 I23 F27 R343Q21-N25 PolarHBondContact OE1-ND2 2.78Å; D22-N25 WeakPolarHBondContact O-CB 3.39Å; D22-N25 PolarHBondContact O-N 2.85Å; I23-N25 PolarHBondContact O-N 3.31Å; N25-F27 VanDerWaalsContact C-N 3.32Å; N25-R343 PolarHBondContact O-NH1 3.17Å; N25-R343 VanDerWaalsContact O-NH1 3.07Å
26Y95.3Very high95.8Very high5 Ų542.6 Ų42.62%0.0222%0.218CC..G310 helixtrans-92.513.3179-58.5-86000113.2Q21 I23 K24 G28 R29 I31 F177 L195 V208Q21-Y26 HydrophobicContact CB-CE2 4Å; I23-Y26 WeakPolarHBondContact O-CD2 3.33Å; I23-Y26 PolarHBondContact O-N 3.23Å; K24-Y26 PolarHBondContact O-N 3.24Å; Y26-G28 PolarHBondContact O-N 2.87Å; Y26-R29 VanDerWaalsContact O-CB 3.24Å; Y26-R29 WeakPolarHBondContact O-CB 3.36Å; Y26-R29 WeakPolarHBondContact O-CG 3.29Å; Y26-R29 PolarHBondContact O-N 3.21Å; Y26-I31 HydrophobicContact CD1-CD1 4.3Å; Y26-I31 HydrophobicContact CG-CD1 4.49Å; Y26-F177 HydrophobicContact CD1-CD1 4.5Å; Y26-F177 AromaticContact CD1-CE1 4Å; Y26-F177 HydrophobicContact CD1-CE1 4Å; Y26-F177 AromaticContact CE1-CE1 3.97Å; Y26-F177 HydrophobicContact CE1-CE1 3.97Å; Y26-L195 HydrophobicContact CD1-CD1 4.07Å; Y26-L195 HydrophobicContact CE1-CD1 3.76Å; Y26-L195 HydrophobicContact CE1-CD2 3.73Å; Y26-L195 HydrophobicContact CE1-CG 4.42Å; Y26-V208 HydrophobicContact CE2-CB 3.82Å; Y26-V208 HydrophobicContact CE2-CG1 3.77Å; Y26-V208 HydrophobicContact CE2-CG2 4.15Å
27F93.6Very high95.6Very high80 Ų8041.3 Ų41.335%0.35120%0.2SC..THydrogen-bonded Turntrans-50.4129.8174.7-178.1-89.3000111.8K24 N25 R29 N77 T340 R343K24-F27 PolarHBondContact O-N 2.77Å; N25-F27 VanDerWaalsContact C-N 3.32Å; F27-R29 PolarHBondContact O-N 2.95Å; F27-N77 WeakPolarHBondContact CA-O 3.39Å; F27-T340 HydrophobicContact CE1-CG2 4.48Å; F27-T340 HydrophobicContact CZ-CG2 4.22Å; F27-R343 WeakPolarHBondContact O-CD 2.95Å
28G91.4Very high95.5Very high20 Ų2041.5 Ų41.521%0.20620%0.201CC..THydrogen-bonded Turntrans79.4-7.3-179.300000115Y26 G78Y26-G28 PolarHBondContact O-N 2.87Å; G28-G78 WeakPolarHBondContact CA-O 3.42Å; G28-G78 PolarHBondContact N-O 2.78Å
29R95.4Very high95.4Very high18 Ų1839.7 Ų39.77%0.06819%0.192CC..  trans-76.2134.9-179.9-62.7-58.3-157.4171.115.1111.2Y26 F27 I31 K80 F177 D345 S346Y26-R29 VanDerWaalsContact O-CB 3.24Å; Y26-R29 WeakPolarHBondContact O-CB 3.36Å; Y26-R29 WeakPolarHBondContact O-CG 3.29Å; Y26-R29 PolarHBondContact O-N 3.21Å; F27-R29 PolarHBondContact O-N 2.95Å; R29-I31 HydrophobicContact CB-CD1 4.35Å; R29-I31 HydrophobicContact CB-CG1 4.21Å; R29-K80 PolarHBondContact O-N 2.98Å; R29-F177 HydrophobicContact CB-CB 4.22Å; R29-F177 HydrophobicContact CB-CD1 4.2Å; R29-F177 HydrophobicContact CB-CG 4.36Å; R29-F177 HydrophobicContact CG-CB 4.46Å; R29-F177 HydrophobicContact CG-CD1 4.03Å; R29-F177 HydrophobicContact CG-CG 4.16Å; R29-D345 VanDerWaalsContact CZ-CG 3.42Å; R29-D345 IonicContact CZ-OD1 3.75Å; R29-D345 IonicContact CZ-OD2 3.88Å; R29-D345 IonicContact NH1-OD1 2.64Å; R29-D345 PolarHBondContact NH1-OD1 3.25Å; R29-D345 IonicContact NH1-OD2 3.51Å; R29-D345 IonicContact NH2-OD1 2.69Å; R29-D345 PolarHBondContact NH2-OD1 2.86Å; R29-D345 VanDerWaalsContact NH2-OD1 3.14Å; R29-D345 IonicContact NH2-OD2 3.56Å; R29-D345 PolarHBondContact NH2-OD2 3.14Å; R29-S346 PolarHBondContact NH1-OG 3.1Å; R29-S346 VanDerWaalsContact NH1-OG 3.08Å
30K97.4Very high95.2Very high87 Ų8738.5 Ų38.538%0.37819%0.185SC..EExtended strand (participates in β ladder)trans-83.8128.8164.5-60.6177-175.1177.90108.3K80 V176 F177 W302K30-K80 VanDerWaalsContact CA-O 3.28Å; K30-K80 WeakPolarHBondContact CA-O 3.47Å; K30-K80 HydrophobicContact CG-CB 4.05Å; K30-K80 HydrophobicContact CG-CD 4.35Å; K30-V176 HydrophobicContact CB-CB 4.31Å; K30-V176 HydrophobicContact CB-CG1 4.16Å; K30-F177 WeakPolarHBondContact O-CB 3.13Å; K30-F177 PolarHBondContact O-N 3.39Å; K30-W302 HydrophobicContact CB-CH2 4.45Å; K30-W302 HydrophobicContact CD-CH2 4.17Å; K30-W302 HydrophobicContact CD-CZ3 4.3Å; K30-W302 HydrophobicContact CG-CH2 4.07Å; K30-W302 HydrophobicContact CG-CZ3 4.45Å
31I98.6Very high95Very high0 Ų034.8 Ų34.80%017%0.168CC..EExtended strand (participates in β ladder)trans-131.3127.6-176.3-64.6174.1000108.7Y26 R29 I33 I79 K80 P81 V82 A180 L195 L198Y26-I31 HydrophobicContact CD1-CD1 4.3Å; Y26-I31 HydrophobicContact CG-CD1 4.49Å; R29-I31 HydrophobicContact CB-CD1 4.35Å; R29-I31 HydrophobicContact CB-CG1 4.21Å; I31-I33 HydrophobicContact CG2-CG1 4.24Å; I31-I79 HydrophobicContact CB-CG2 4.33Å; I31-I79 HydrophobicContact CD1-CD1 4.43Å; I31-I79 HydrophobicContact CD1-CG2 3.76Å; I31-I79 HydrophobicContact CG1-CG2 4.2Å; I31-K80 PolarHBondContact N-O 2.97Å; I31-P81 WeakPolarHBondContact O-CA 3.24Å; I31-V82 PolarHBondContact O-N 3.17Å; I31-A180 HydrophobicContact CG2-CB 3.64Å; I31-L195 HydrophobicContact CD1-CD1 3.65Å; I31-L195 HydrophobicContact CG1-CD1 4.34Å; I31-L195 HydrophobicContact CG2-CD1 4.34Å; I31-L198 HydrophobicContact CD1-CD2 4.05Å; I31-L198 HydrophobicContact CG2-CD2 3.77Å
32A98.6Very high95Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-84.7129.3172.300000109.7V82 V84 C167 L170 V176 A178 T179 A180A32-V82 CarbonylContact C-O 3.55Å; A32-V82 WeakPolarHBondContact CA-O 3.35Å; A32-V82 HydrophobicContact CB-CG1 3.94Å; A32-V84 HydrophobicContact CB-CG2 4.36Å; A32-C167 HydrophobicContact CB-CB 3.9Å; A32-L170 HydrophobicContact CB-CD1 4.26Å; A32-V176 HydrophobicContact CB-CB 4.47Å; A32-V176 HydrophobicContact CB-CG1 4.34Å; A32-V176 HydrophobicContact CB-CG2 3.83Å; A32-A178 PolarHBondContact N-O 3.19Å; A32-T179 CarbonylContact O-C 3.39Å; A32-T179 WeakPolarHBondContact O-CA 3.42Å; A32-A180 PolarHBondContact O-N 2.79Å
33I98.7Very high94.8Very high0 Ų029 Ų290%014%0.138CC..EExtended strand (participates in β ladder)trans-118126.7-172.5-52.5-177.4000108.5I31 A35 C38 M74 P81 V82 Y83 V84 A180 T199I31-I33 HydrophobicContact CG2-CG1 4.24Å; I33-A35 PolarHBondContact O-N 3.08Å; I33-A35 VanDerWaalsContact O-N 3.09Å; I33-C38 WeakPolarHBondContact CG2-SG 3.43Å; I33-M74 HydrophobicContact CD1-CE 3.42Å; I33-M74 VanDerWaalsContact CD1-CE 3.42Å; I33-M74 HydrophobicContact CD1-SD 3.45Å; I33-M74 WeakPolarHBondContact CD1-SD 3.4Å; I33-P81 HydrophobicContact CD1-CB 3.51Å; I33-P81 HydrophobicContact CG1-CB 4.41Å; I33-V82 PolarHBondContact N-O 3.48Å; I33-Y83 HydrophobicContact CB-CD1 3.96Å; I33-Y83 HydrophobicContact CB-CE1 4.05Å; I33-Y83 HydrophobicContact CB-CG 4.49Å; I33-Y83 HydrophobicContact CD1-CE1 4.15Å; I33-Y83 HydrophobicContact CD1-CE2 4.29Å; I33-Y83 HydrophobicContact CG2-CD1 3.95Å; I33-Y83 HydrophobicContact CG2-CE1 3.71Å; I33-Y83 CarbonylContact O-C 3.56Å; I33-Y83 WeakPolarHBondContact O-CA 3.37Å; I33-V84 PolarHBondContact O-N 3.06Å; I33-A180 WeakPolarHBondContact CA-O 3.29Å; I33-A180 HydrophobicContact CG1-CB 4.16Å; I33-T199 HydrophobicContact CG2-CG2 3.99Å
34D97.9Very high94.4Very high6 Ų630.5 Ų30.53%0.03215%0.146CC..EExtended strand (participates in β ladder)trans-65.9106169.3172.7-10.4000109.6S36 M37 C38 A180 T181D34-S36 PolarHBondContact OD1-N 3.03Å; D34-M37 HydrophobicContact CB-CB 4.23Å; D34-M37 WeakPolarHBondContact OD1-CB 3.5Å; D34-M37 PolarHBondContact OD1-N 3.23Å; D34-M37 WeakPolarHBondContact OD2-CB 3.4Å; D34-C38 PolarHBondContact O-N 3.36Å; D34-C38 PolarHBondContact O-SG 3.06Å; D34-A180 PolarHBondContact N-O 3.15Å; D34-T181 PolarHBondContact OD2-OG1 3.2Å
35A97.5Very high94.1Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-72.2-38.5-174.900000111.8I33 C38 I39 Y83 V84 F85I33-A35 PolarHBondContact O-N 3.08Å; I33-A35 VanDerWaalsContact O-N 3.09Å; A35-C38 WeakPolarHBondContact O-CB 3.29Å; A35-C38 PolarHBondContact O-N 2.93Å; A35-I39 VanDerWaalsContact O-CG1 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.33Å; A35-I39 PolarHBondContact O-N 3.14Å; A35-Y83 HydrophobicContact CB-CD1 4Å; A35-V84 WeakPolarHBondContact CB-O 3.23Å; A35-V84 PolarHBondContact N-O 3.35Å; A35-F85 HydrophobicContact CB-CD1 3.77Å; A35-F85 HydrophobicContact CB-CD2 3.94Å; A35-F85 HydrophobicContact CB-CE1 3.82Å; A35-F85 HydrophobicContact CB-CE2 3.95Å; A35-F85 HydrophobicContact CB-CG 3.84Å; A35-F85 HydrophobicContact CB-CZ 3.9Å
36S91.1Very high93.5Very high18 Ų1824 Ų2413%0.12613%0.128CC..Hα-helixtrans-61.8-47-178.9-67.90000111.2D34 C38 I39 Y40 D86D34-S36 PolarHBondContact OD1-N 3.03Å; S36-C38 VanDerWaalsContact C-N 3.33Å; S36-C38 PolarHBondContact O-N 2.97Å; S36-I39 PolarHBondContact O-N 2.78Å; S36-Y40 WeakPolarHBondContact O-CB 3.34Å; S36-Y40 PolarHBondContact O-N 3.23Å; S36-D86 WeakPolarHBondContact CB-OD2 3.36Å; S36-D86 PolarHBondContact OG-N 3.23Å; S36-D86 PolarHBondContact OG-OD2 2.97Å
37M92.9Very high92.7Very high19 Ų1926.3 Ų26.39%0.09414%0.136CC..Hα-helixtrans-63.4-39.7176.1-172.461.2-108.200111.1M1 D34 Y40 Q41 E182M1-M37 HydrophobicContact CE-CE 3.27Å; M1-M37 HydrophobicContact CE-SD 3.37Å; M1-M37 WeakPolarHBondContact CE-SD 3.08Å; D34-M37 HydrophobicContact CB-CB 4.23Å; D34-M37 WeakPolarHBondContact OD1-CB 3.5Å; D34-M37 PolarHBondContact OD1-N 3.23Å; D34-M37 WeakPolarHBondContact OD2-CB 3.4Å; M37-Y40 HydrophobicContact CE-CD1 3.94Å; M37-Q41 HydrophobicContact CE-CG 3.5Å; M37-Q41 VanDerWaalsContact O-CG 3.31Å; M37-Q41 WeakPolarHBondContact O-CG 3.4Å; M37-Q41 PolarHBondContact O-N 2.96Å; M37-E182 HydrophobicContact CG-CB 4.29Å; M37-E182 HydrophobicContact SD-CB 4.5Å
38C94.3Very high91.7Very high3 Ų328.3 Ų28.32%0.0215%0.147CC..Hα-helixtrans-63.1-48.4175.4-70.70000113I33 D34 A35 S36 Y40 Q41 F42 T199I33-C38 WeakPolarHBondContact CG2-SG 3.43Å; D34-C38 PolarHBondContact O-N 3.36Å; D34-C38 PolarHBondContact O-SG 3.06Å; A35-C38 WeakPolarHBondContact O-CB 3.29Å; A35-C38 PolarHBondContact O-N 2.93Å; S36-C38 VanDerWaalsContact C-N 3.33Å; S36-C38 PolarHBondContact O-N 2.97Å; C38-Y40 VanDerWaalsContact C-N 3.3Å; C38-Y40 PolarHBondContact O-N 2.94Å; C38-Q41 WeakPolarHBondContact O-CB 3.39Å; C38-Q41 PolarHBondContact O-N 2.97Å; C38-Q41 VanDerWaalsContact O-N 3.16Å; C38-F42 HydrophobicContact CB-CE2 3.87Å; C38-F42 HydrophobicContact CB-CZ 4.01Å; C38-F42 VanDerWaalsContact O-CD2 3.24Å; C38-F42 WeakPolarHBondContact O-CD2 3.42Å; C38-F42 WeakPolarHBondContact O-CG 3.41Å; C38-F42 PolarHBondContact O-N 3.48Å; C38-T199 WeakPolarHBondContact SG-CG2 3.26Å
39I95.8Very high90.7Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-60.9-44.1-179.4-68166.2000109.8A35 S36 Q41 F42 L43 H63 M67 F85 V137 H141 N142 C145A35-I39 VanDerWaalsContact O-CG1 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.33Å; A35-I39 PolarHBondContact O-N 3.14Å; S36-I39 PolarHBondContact O-N 2.78Å; I39-Q41 VanDerWaalsContact C-N 3.35Å; I39-Q41 PolarHBondContact O-N 2.97Å; I39-F42 PolarHBondContact O-N 3.38Å; I39-L43 HydrophobicContact CG2-CD1 3.93Å; I39-L43 HydrophobicContact CG2-CG 4.35Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.34Å; I39-L43 PolarHBondContact O-N 2.95Å; I39-H63 HydrophobicContact CG2-CB 3.93Å; I39-M67 HydrophobicContact CD1-CE 4.28Å; I39-M67 HydrophobicContact CG1-CE 3.88Å; I39-F85 HydrophobicContact CD1-CD1 4.41Å; I39-F85 HydrophobicContact CD1-CE1 3.74Å; I39-V137 HydrophobicContact CB-CG1 4.45Å; I39-V137 HydrophobicContact CB-CG2 4.48Å; I39-V137 HydrophobicContact CG2-CG1 3.75Å; I39-V137 HydrophobicContact CG2-CG2 4Å; I39-H141 HydrophobicContact CG2-CB 4.08Å; I39-N142 VanDerWaalsContact CD1-OD1 3.28Å; I39-N142 WeakPolarHBondContact CD1-OD1 3.5Å; I39-C145 HydrophobicContact CD1-CB 4.04Å
40Y92.6Very high89.4Confident72 Ų7234.7 Ų34.728%0.28218%0.184SC..Hα-helixtrans-57.9-45.8175-175.7-102.6000112.1M1 S36 M37 C38 F42 L43 I44 V135 V137M1-Y40 HydrophobicContact CE-CD1 3.92Å; M1-Y40 HydrophobicContact CE-CE1 3.81Å; S36-Y40 WeakPolarHBondContact O-CB 3.34Å; S36-Y40 PolarHBondContact O-N 3.23Å; M37-Y40 HydrophobicContact CE-CD1 3.94Å; C38-Y40 VanDerWaalsContact C-N 3.3Å; C38-Y40 PolarHBondContact O-N 2.94Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.44Å; Y40-L43 PolarHBondContact O-N 3.4Å; Y40-I44 HydrophobicContact CD1-CD1 3.78Å; Y40-I44 HydrophobicContact CD2-CD1 4.44Å; Y40-I44 HydrophobicContact CE1-CD1 3.24Å; Y40-I44 HydrophobicContact CE2-CD1 3.98Å; Y40-I44 HydrophobicContact CG-CD1 4.36Å; Y40-I44 WeakPolarHBondContact O-CG1 2.84Å; Y40-I44 PolarHBondContact O-N 3.37Å; Y40-V135 HydrophobicContact CD2-CG1 4.45Å; Y40-V135 HydrophobicContact CE2-CG1 4.44Å; Y40-V137 HydrophobicContact CD2-CG2 4.22Å
41Q92.5Very high88.2Confident45 Ų4535.8 Ų35.821%0.2119%0.193CC..Hα-helixtrans-61.3-41.2175.6-72.2177.7-36.100112.8M37 C38 I39 I44 A45 T199M37-Q41 HydrophobicContact CE-CG 3.5Å; M37-Q41 VanDerWaalsContact O-CG 3.31Å; M37-Q41 WeakPolarHBondContact O-CG 3.4Å; M37-Q41 PolarHBondContact O-N 2.96Å; C38-Q41 WeakPolarHBondContact O-CB 3.39Å; C38-Q41 PolarHBondContact O-N 2.97Å; C38-Q41 VanDerWaalsContact O-N 3.16Å; I39-Q41 VanDerWaalsContact C-N 3.35Å; I39-Q41 PolarHBondContact O-N 2.97Å; Q41-I44 PolarHBondContact O-N 3.27Å; Q41-A45 WeakPolarHBondContact O-CB 3.2Å; Q41-A45 PolarHBondContact O-N 3.34Å; Q41-T199 PolarHBondContact OE1-OG1 3.07Å; Q41-T199 VanDerWaalsContact OE1-OG1 3.12Å
42F93.4Very high87.3Confident6 Ų637.7 Ų37.73%0.02621%0.205CC..Hα-helixtrans-66.5-45.3-179.1-59.5-27.1000111.3C38 I39 Y40 I44 A45 V46 G66 M67 R70C38-F42 HydrophobicContact CB-CE2 3.87Å; C38-F42 HydrophobicContact CB-CZ 4.01Å; C38-F42 VanDerWaalsContact O-CD2 3.24Å; C38-F42 WeakPolarHBondContact O-CD2 3.42Å; C38-F42 WeakPolarHBondContact O-CG 3.41Å; C38-F42 PolarHBondContact O-N 3.48Å; I39-F42 PolarHBondContact O-N 3.38Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.44Å; F42-I44 PolarHBondContact O-N 3.45Å; F42-A45 PolarHBondContact O-N 3.36Å; F42-V46 HydrophobicContact CB-CG2 4.23Å; F42-V46 WeakPolarHBondContact O-CA 3.1Å; F42-V46 WeakPolarHBondContact O-CB 2.85Å; F42-V46 WeakPolarHBondContact O-CG2 3.22Å; F42-V46 PolarHBondContact O-N 3.17Å; F42-G66 VanDerWaalsContact CE2-C 3.49Å; F42-M67 HydrophobicContact CE2-CB 4.26Å; F42-M67 HydrophobicContact CE2-CE 4.44Å; F42-M67 HydrophobicContact CE2-SD 4.34Å; F42-R70 HydrophobicContact CE1-CG 3.67Å; F42-R70 HydrophobicContact CZ-CB 4.05Å; F42-R70 HydrophobicContact CZ-CG 3.69Å
43L91.3Very high86.5Confident5 Ų538.7 Ų38.73%0.02621%0.211CC..Hα-helixtrans-60.9-29.8176.6-65.9169.6000112.9I39 Y40 T60 H63 V135 V137 H141I39-L43 HydrophobicContact CG2-CD1 3.93Å; I39-L43 HydrophobicContact CG2-CG 4.35Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.34Å; I39-L43 PolarHBondContact O-N 2.95Å; Y40-L43 PolarHBondContact O-N 3.4Å; L43-T60 HydrophobicContact CD2-CG2 3.48Å; L43-T60 VanDerWaalsContact CD2-CG2 3.48Å; L43-H63 HydrophobicContact CD2-CB 4.12Å; L43-H63 HydrophobicContact CG-CB 4.4Å; L43-V135 HydrophobicContact CB-CG1 3.42Å; L43-V135 VanDerWaalsContact CB-CG1 3.42Å; L43-V135 HydrophobicContact CD1-CG1 4.06Å; L43-V135 HydrophobicContact CG-CG1 4.38Å; L43-V137 HydrophobicContact CD1-CG2 4.07Å; L43-H141 WeakPolarHBondContact CD1-ND1 3.43Å
44I88Confident85.8Confident41 Ų4144.3 Ų44.321%0.2124%0.237CC..Hα-helixtrans-81-47.5176.4-69.5174.3000111.9Y40 Q41 F42 R47 K132 V135Y40-I44 HydrophobicContact CD1-CD1 3.78Å; Y40-I44 HydrophobicContact CD2-CD1 4.44Å; Y40-I44 HydrophobicContact CE1-CD1 3.24Å; Y40-I44 HydrophobicContact CE2-CD1 3.98Å; Y40-I44 HydrophobicContact CG-CD1 4.36Å; Y40-I44 WeakPolarHBondContact O-CG1 2.84Å; Y40-I44 PolarHBondContact O-N 3.37Å; Q41-I44 PolarHBondContact O-N 3.27Å; F42-I44 PolarHBondContact O-N 3.45Å; I44-R47 PolarHBondContact O-NE 3.05Å; I44-K132 HydrophobicContact CG2-CB 4.39Å; I44-K132 HydrophobicContact CG2-CD 4.29Å; I44-K132 HydrophobicContact CG2-CG 4.13Å; I44-V135 HydrophobicContact CG1-CB 4.04Å; I44-V135 HydrophobicContact CG1-CG1 4.05Å; I44-V135 HydrophobicContact CG1-CG2 4.06Å
45A85.3Confident85.1Confident67 Ų6744.5 Ų44.555%0.55424%0.239SC*.Hα-helixtrans-91.9-26.8-165.900000113.9Q41 F42 R47Q41-A45 WeakPolarHBondContact O-CB 3.2Å; Q41-A45 PolarHBondContact O-N 3.34Å; F42-A45 PolarHBondContact O-N 3.36Å; A45-R47 PolarHBondContact O-N 3.03Å
46V81.6Confident84.2Confident13 Ų1352.6 Ų52.68%0.07928%0.276CS..  trans-89103.7-178.3178.10000108.8F42 L53 S62 M65F42-V46 HydrophobicContact CB-CG2 4.23Å; F42-V46 WeakPolarHBondContact O-CA 3.1Å; F42-V46 WeakPolarHBondContact O-CB 2.85Å; F42-V46 WeakPolarHBondContact O-CG2 3.22Å; F42-V46 PolarHBondContact O-N 3.17Å; V46-L53 HydrophobicContact CG1-CD1 3.63Å; V46-L53 HydrophobicContact CG1-CG 4.39Å; V46-S62 PolarHBondContact O-OG 3.05Å; V46-M65 HydrophobicContact CG1-CB 4.47Å; V46-M65 HydrophobicContact CG1-CE 3.26Å; V46-M65 HydrophobicContact CG1-SD 4.49Å
47R79.3Confident83.7Confident53 Ų5358 Ų5820%0.230%0.304CS..EExtended strand (participates in β ladder)trans-139.8152.8-177.8-66.2-178.2-176.3-97.8-13.3109.9I44 A45 G50 N51I44-R47 PolarHBondContact O-NE 3.05Å; A45-R47 PolarHBondContact O-N 3.03Å; R47-G50 WeakPolarHBondContact CD-O 3.33Å; R47-N51 CarbonylContact C-O 3.53Å; R47-N51 WeakPolarHBondContact CA-O 3.39Å; R47-N51 WeakPolarHBondContact CB-O 3.48Å
48Q72.3Confident83Confident121 Ų12159 Ų5957%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-119.9123.8170.9-179.5172.6-3.700108.1G50 N51 L53Q48-G50 PolarHBondContact O-N 3.36Å; Q48-G50 VanDerWaalsContact O-N 3.13Å; Q48-N51 PolarHBondContact N-O 2.96Å; Q48-N51 PolarHBondContact O-N 3.12Å; Q48-L53 HydrophobicContact CB-CD2 3.52Å; Q48-L53 HydrophobicContact CB-CG 4.48Å; Q48-L53 HydrophobicContact CG-CD2 4.5Å; Q48-L53 VanDerWaalsContact OE1-CD2 3.31Å
49D69.6Low82.6Confident147 Ų14763 Ų6379%0.78634%0.337SS*.THydrogen-bonded Turntrans51.337.5-178.2-53.1-42.2000113.6N51D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 3.42Å
50G68.4Low82.3Confident26 Ų2664.7 Ų64.727%0.26835%0.347SS..THydrogen-bonded Turntrans85.4-17.3-17800000114.8R47 Q48R47-G50 WeakPolarHBondContact CD-O 3.33Å; Q48-G50 PolarHBondContact O-N 3.36Å; Q48-G50 VanDerWaalsContact O-N 3.13Å
51N73.3Confident82.4Confident109 Ų10961.6 Ų61.658%0.58334%0.336SS*.EExtended strand (participates in β ladder)trans-91.3151.9-177.4-64.4-43.4000112.7R47 Q48 D49R47-N51 CarbonylContact C-O 3.53Å; R47-N51 WeakPolarHBondContact CA-O 3.39Å; R47-N51 WeakPolarHBondContact CB-O 3.48Å; Q48-N51 PolarHBondContact N-O 2.96Å; Q48-N51 PolarHBondContact O-N 3.12Å; D49-N51 VanDerWaalsContact C-N 3.25Å; D49-N51 PolarHBondContact O-N 3.42Å
52V78.9Confident82.4Confident41 Ų4159.4 Ų59.425%0.24833%0.326CS..EExtended strand (participates in β ladder)trans-65.7139.4171.8178.70000108.4Q54 T60V52-Q54 PolarHBondContact O-N 2.9Å; V52-T60 HydrophobicContact CG1-CG2 3.42Å; V52-T60 VanDerWaalsContact CG1-CG2 3.42Å
53L81.1Confident82.5Confident21 Ų2159.1 Ų59.111%0.1132%0.324CS..PPolyproline II helixtrans-68.2129.2174.9-72.4177.6000109.5V46 Q48 T60 T61 S62 M65V46-L53 HydrophobicContact CG1-CD1 3.63Å; V46-L53 HydrophobicContact CG1-CG 4.39Å; Q48-L53 HydrophobicContact CB-CD2 3.52Å; Q48-L53 HydrophobicContact CB-CG 4.48Å; Q48-L53 HydrophobicContact CG-CD2 4.5Å; Q48-L53 VanDerWaalsContact OE1-CD2 3.31Å; L53-T60 CarbonylContact O-C 3.42Å; L53-T60 WeakPolarHBondContact O-CA 3.36Å; L53-T61 PolarHBondContact O-N 2.67Å; L53-T61 PolarHBondContact O-OG1 3.04Å; L53-S62 PolarHBondContact N-OG 2.78Å; L53-M65 HydrophobicContact CD1-CB 4.4Å; L53-M65 HydrophobicContact CD1-CE 3.58Å; L53-M65 HydrophobicContact CD1-SD 3.45Å; L53-M65 WeakPolarHBondContact CD1-SD 3.47Å
54Q85Confident82.8Confident117 Ų11758.9 Ų58.955%0.54732%0.323SS..BIsolated β-bridgetrans-133.6153.8179.4-67.6177.4-27.500110.7V52 E59V52-Q54 PolarHBondContact O-N 2.9Å; Q54-E59 CarbonylContact C-O 3.5Å; Q54-E59 WeakPolarHBondContact CA-O 3.25Å
55S83.3Confident83.1Confident11 Ų1159.5 Ų59.58%0.07733%0.326CS..  trans-72.4171.1161.965.20000110.5D57 G58 E59S55-D57 PolarHBondContact O-N 3.37Å; S55-D57 PolarHBondContact OG-N 3.39Å; S55-G58 WeakPolarHBondContact O-CA 3.47Å; S55-G58 PolarHBondContact O-N 2.87Å; S55-E59 PolarHBondContact N-O 3.35Å; S55-E59 WeakPolarHBondContact OG-CB 3.33Å; S55-E59 PolarHBondContact OG-N 3.33Å
56E78Confident83.5Confident169 Ų16956.4 Ų56.479%0.7930%0.301SS*.THydrogen-bonded Turntrans-58.4-30.6172.5-69.6175.1171.900112.3G58 Q319E56-G58 PolarHBondContact O-N 2.71Å; E56-Q319 VanDerWaalsContact CB-OE1 3.3Å; E56-Q319 VanDerWaalsContact CD-NE2 3.31Å; E56-Q319 VanDerWaalsContact CG-OE1 3.26Å; E56-Q319 PolarHBondContact OE2-NE2 3.14Å
57D80.3Confident84.3Confident133 Ų13355.8 Ų55.871%0.71130%0.297SS*.THydrogen-bonded Turntrans-76.1-0.2174.7-58.6-46.3000113.3S55 E59S55-D57 PolarHBondContact O-N 3.37Å; S55-D57 PolarHBondContact OG-N 3.39Å; D57-E59 VanDerWaalsContact C-N 3.33Å
58G79.8Confident85.2Confident38 Ų3853.3 Ų53.339%0.39229%0.287SS..  trans817.1179.900000114.6S55 E56S55-G58 WeakPolarHBondContact O-CA 3.47Å; S55-G58 PolarHBondContact O-N 2.87Å; E56-G58 PolarHBondContact O-N 2.71Å
59E85.9Confident86.3Confident89 Ų8951.2 Ų51.242%0.41628%0.275SS..  trans-73.1132.3176.2-60.2-165.4149.800110.6Q54 S55 D57 T61 K318Q54-E59 CarbonylContact C-O 3.5Å; Q54-E59 WeakPolarHBondContact CA-O 3.25Å; S55-E59 PolarHBondContact N-O 3.35Å; S55-E59 WeakPolarHBondContact OG-CB 3.33Å; S55-E59 PolarHBondContact OG-N 3.33Å; D57-E59 VanDerWaalsContact C-N 3.33Å; E59-T61 PolarHBondContact O-N 2.98Å; E59-K318 IonicContact OE2-NZ 3.29Å; E59-K318 PolarHBondContact OE2-NZ 3.34Å
60T89.6Confident87.6Confident34 Ų3446.1 Ų46.121%0.20925%0.245CC..BIsolated β-bridgetrans-65.2137.2175.9-63.30000110.8L43 V52 L53 H63L43-T60 HydrophobicContact CD2-CG2 3.48Å; L43-T60 VanDerWaalsContact CD2-CG2 3.48Å; V52-T60 HydrophobicContact CG1-CG2 3.42Å; V52-T60 VanDerWaalsContact CG1-CG2 3.42Å; L53-T60 CarbonylContact O-C 3.42Å; L53-T60 WeakPolarHBondContact O-CA 3.36Å; T60-H63 PolarHBondContact O-CE1 3.27Å
61T92.7Very high88.9Confident7 Ų744.9 Ų44.94%0.04323%0.232CC..  trans-1251.3-18060.10000113.4L53 E59 H63 L64 M65 F320L53-T61 PolarHBondContact O-N 2.67Å; L53-T61 PolarHBondContact O-OG1 3.04Å; E59-T61 PolarHBondContact O-N 2.98Å; T61-H63 VanDerWaalsContact C-N 3.29Å; T61-H63 PolarHBondContact O-N 2.98Å; T61-L64 WeakPolarHBondContact O-CB 3.42Å; T61-L64 PolarHBondContact O-N 3.48Å; T61-L64 VanDerWaalsContact O-N 3.15Å; T61-M65 PolarHBondContact O-N 2.98Å; T61-M65 VanDerWaalsContact O-N 3.15Å; T61-F320 HydrophobicContact CG2-CE2 4.29Å
62S93.9Very high90.1Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-55.3-37.7178.8-73.20000113.9V46 L53 G66V46-S62 PolarHBondContact O-OG 3.05Å; L53-S62 PolarHBondContact N-OG 2.78Å; S62-G66 PolarHBondContact O-N 3.08Å
63H95.5Very high90.9Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-64.7-42.7177.957-70.6000112.1I39 L43 T60 T61 M67 H141 D144I39-H63 HydrophobicContact CG2-CB 3.93Å; L43-H63 HydrophobicContact CD2-CB 4.12Å; L43-H63 HydrophobicContact CG-CB 4.4Å; T60-H63 PolarHBondContact O-CE1 3.27Å; T61-H63 VanDerWaalsContact C-N 3.29Å; T61-H63 PolarHBondContact O-N 2.98Å; H63-M67 WeakPolarHBondContact O-CB 3.49Å; H63-M67 PolarHBondContact O-N 3.3Å; H63-H141 PolarHBondContact CD2-O 3.12Å; H63-H141 AromaticContact CE1-CD2 3.36Å; H63-H141 PolarHBondContact CE1-CD2 3.11Å; H63-H141 AromaticContact ND1-CD2 3.67Å; H63-H141 AromaticContact NE2-CD2 3.79Å; H63-D144 IonicContact CE1-OD2 3.57Å; H63-D144 WeakPolarHBondContact NE2-CB 3.3Å; H63-D144 IonicContact NE2-OD2 3.29Å; H63-D144 PolarHBondContact NE2-OD2 3.34Å
64L96.7Very high91.6Very high0 Ų038.6 Ų38.60%019%0.194CC..Hα-helixtrans-63.5-48177.2-70.9172.9000111.3T61 G66 M67 F68 D144 L148 F313 M314 K318 F320T61-L64 WeakPolarHBondContact O-CB 3.42Å; T61-L64 PolarHBondContact O-N 3.48Å; T61-L64 VanDerWaalsContact O-N 3.15Å; L64-G66 PolarHBondContact O-N 3.46Å; L64-M67 PolarHBondContact O-N 3.3Å; L64-F68 VanDerWaalsContact O-CB 3.25Å; L64-F68 WeakPolarHBondContact O-CB 3.39Å; L64-F68 PolarHBondContact O-N 3.47Å; L64-D144 HydrophobicContact CD2-CB 3.96Å; L64-D144 HydrophobicContact CG-CB 4.38Å; L64-L148 HydrophobicContact CB-CD2 4.47Å; L64-L148 HydrophobicContact CD2-CB 3.97Å; L64-L148 HydrophobicContact CD2-CD2 3.82Å; L64-L148 HydrophobicContact CD2-CG 4.45Å; L64-L148 WeakPolarHBondContact O-CD2 3.34Å; L64-F313 HydrophobicContact CD1-CZ 4.28Å; L64-F313 HydrophobicContact CD2-CE1 3.87Å; L64-F313 HydrophobicContact CD2-CZ 4.08Å; L64-M314 HydrophobicContact CB-CE 4.19Å; L64-M314 HydrophobicContact CB-SD 4.26Å; L64-M314 HydrophobicContact CD1-SD 4.36Å; L64-M314 HydrophobicContact CD2-SD 4.36Å; L64-K318 HydrophobicContact CD1-CB 4.18Å; L64-K318 HydrophobicContact CD1-CD 3.94Å; L64-K318 HydrophobicContact CD1-CG 3.7Å; L64-F320 HydrophobicContact CB-CE2 4.14Å; L64-F320 HydrophobicContact CB-CZ 4.25Å; L64-F320 HydrophobicContact CD1-CE2 4.26Å
65M94.3Very high92.1Very high53 Ų5333.9 Ų33.926%0.26117%0.173SC..Hα-helixtrans-63.5-44.5-179.7-164.4176.687.900111.7V46 L53 T61 Y69 F320V46-M65 HydrophobicContact CG1-CB 4.47Å; V46-M65 HydrophobicContact CG1-CE 3.26Å; V46-M65 HydrophobicContact CG1-SD 4.49Å; L53-M65 HydrophobicContact CD1-CB 4.4Å; L53-M65 HydrophobicContact CD1-CE 3.58Å; L53-M65 HydrophobicContact CD1-SD 3.45Å; L53-M65 WeakPolarHBondContact CD1-SD 3.47Å; T61-M65 PolarHBondContact O-N 2.98Å; T61-M65 VanDerWaalsContact O-N 3.15Å; M65-Y69 HydrophobicContact CG-CD2 3.72Å; M65-Y69 HydrophobicContact CG-CE2 3.7Å; M65-Y69 VanDerWaalsContact O-CD2 3.31Å; M65-Y69 WeakPolarHBondContact O-CD2 3.34Å; M65-Y69 PolarHBondContact O-N 2.63Å; M65-Y69 HydrophobicContact SD-CE2 4.47Å; M65-F320 HydrophobicContact CB-CE1 3.86Å; M65-F320 HydrophobicContact CB-CZ 4.03Å; M65-F320 HydrophobicContact CG-CE1 4.09Å; M65-F320 HydrophobicContact SD-CE1 4.29Å
66G94.8Very high92.7Very high3 Ų337.8 Ų37.83%0.03119%0.19CC..Hα-helixtrans-60.1-50.5175.600000111.7F42 S62 L64 F68 R70F42-G66 VanDerWaalsContact CE2-C 3.49Å; S62-G66 PolarHBondContact O-N 3.08Å; L64-G66 PolarHBondContact O-N 3.46Å; G66-F68 PolarHBondContact O-N 3.22Å; G66-R70 VanDerWaalsContact O-CB 3.25Å; G66-R70 WeakPolarHBondContact O-CB 3.49Å; G66-R70 WeakPolarHBondContact O-CG 3.37Å; G66-R70 PolarHBondContact O-N 3.17Å
67M97.6Very high93.4Very high0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-60.2-48-179.6-169.466.278.700111.6I39 F42 H63 L64 T71 Y83 C145 L148 L149I39-M67 HydrophobicContact CD1-CE 4.28Å; I39-M67 HydrophobicContact CG1-CE 3.88Å; F42-M67 HydrophobicContact CE2-CB 4.26Å; F42-M67 HydrophobicContact CE2-CE 4.44Å; F42-M67 HydrophobicContact CE2-SD 4.34Å; H63-M67 WeakPolarHBondContact O-CB 3.49Å; H63-M67 PolarHBondContact O-N 3.3Å; L64-M67 PolarHBondContact O-N 3.3Å; M67-T71 WeakPolarHBondContact O-CB 3.38Å; M67-T71 PolarHBondContact O-N 3.3Å; M67-T71 PolarHBondContact O-OG1 3.34Å; M67-Y83 HydrophobicContact CE-CD1 4.12Å; M67-Y83 HydrophobicContact CE-CE1 3.97Å; M67-Y83 HydrophobicContact SD-CD1 3.89Å; M67-Y83 HydrophobicContact SD-CD2 4.49Å; M67-Y83 HydrophobicContact SD-CE1 3.3Å; M67-Y83 WeakPolarHBondContact SD-CE1 3.47Å; M67-Y83 HydrophobicContact SD-CE2 3.99Å; M67-Y83 HydrophobicContact SD-CG 4.43Å; M67-C145 HydrophobicContact CE-CB 4Å; M67-L148 HydrophobicContact CB-CD2 3.93Å; M67-L148 HydrophobicContact CG-CD2 4.1Å; M67-L149 HydrophobicContact CG-CD2 4.05Å; M67-L149 HydrophobicContact CG-CG 4.29Å; M67-L149 HydrophobicContact SD-CD1 4.47Å; M67-L149 HydrophobicContact SD-CD2 4.16Å
68F97.5Very high94.1Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-57.8-59.1-178.9-175-112.8000111.9L64 G66 R70 T71 I72 L148 M152 M314 I325L64-F68 VanDerWaalsContact O-CB 3.25Å; L64-F68 WeakPolarHBondContact O-CB 3.39Å; L64-F68 PolarHBondContact O-N 3.47Å; G66-F68 PolarHBondContact O-N 3.22Å; F68-R70 PolarHBondContact O-N 2.75Å; F68-T71 PolarHBondContact O-N 2.73Å; F68-I72 HydrophobicContact CD1-CD1 3.69Å; F68-I72 HydrophobicContact CD2-CD1 4.09Å; F68-I72 HydrophobicContact CE1-CD1 3.43Å; F68-I72 VanDerWaalsContact CE1-CD1 3.43Å; F68-I72 HydrophobicContact CE2-CD1 3.86Å; F68-I72 HydrophobicContact CG-CD1 4.02Å; F68-I72 HydrophobicContact CZ-CD1 3.54Å; F68-I72 VanDerWaalsContact O-CG1 3.24Å; F68-I72 WeakPolarHBondContact O-CG1 3.45Å; F68-I72 PolarHBondContact O-N 3.07Å; F68-L148 HydrophobicContact CB-CD2 4.08Å; F68-L148 HydrophobicContact CD2-CD1 4.09Å; F68-M152 HydrophobicContact CD2-CE 3.67Å; F68-M152 HydrophobicContact CD2-CG 4.32Å; F68-M152 HydrophobicContact CD2-SD 3.77Å; F68-M152 HydrophobicContact CE2-CE 4.14Å; F68-M152 HydrophobicContact CE2-SD 4.48Å; F68-M152 HydrophobicContact CG-CE 4.46Å; F68-M314 HydrophobicContact CB-CE 4.46Å; F68-I325 HydrophobicContact CD1-CD1 4.24Å; F68-I325 HydrophobicContact CE1-CD1 3.81Å; F68-I325 HydrophobicContact CZ-CD1 4.06Å; F68-I325 HydrophobicContact CZ-CG2 4.29Å
69Y95.9Very high94.8Very high78 Ų7823.5 Ų23.531%0.30611%0.113SC..Hα-helixtrans-72.9-31.9-173.8-72.3-66.8000113.7M65 I72 R73M65-Y69 HydrophobicContact CG-CD2 3.72Å; M65-Y69 HydrophobicContact CG-CE2 3.7Å; M65-Y69 VanDerWaalsContact O-CD2 3.31Å; M65-Y69 WeakPolarHBondContact O-CD2 3.34Å; M65-Y69 PolarHBondContact O-N 2.63Å; M65-Y69 HydrophobicContact SD-CE2 4.47Å; Y69-I72 HydrophobicContact CD1-CD1 4.47Å; Y69-R73 WeakPolarHBondContact O-CB 3.15Å; Y69-R73 PolarHBondContact O-N 2.69Å
70R96.1Very high95.4Very high40 Ų4022.4 Ų22.415%0.15111%0.106CC..Hα-helixtrans-70-39.9176-64-63.6175.6-110.2-16.7111.4F42 G66 F68 R73 M74 T199 A200 S201F42-R70 HydrophobicContact CE1-CG 3.67Å; F42-R70 HydrophobicContact CZ-CB 4.05Å; F42-R70 HydrophobicContact CZ-CG 3.69Å; G66-R70 VanDerWaalsContact O-CB 3.25Å; G66-R70 WeakPolarHBondContact O-CB 3.49Å; G66-R70 WeakPolarHBondContact O-CG 3.37Å; G66-R70 PolarHBondContact O-N 3.17Å; F68-R70 PolarHBondContact O-N 2.75Å; R70-R73 PolarHBondContact O-N 3.3Å; R70-M74 WeakPolarHBondContact O-CE 3.3Å; R70-M74 WeakPolarHBondContact O-CG 3.36Å; R70-M74 PolarHBondContact O-N 2.76Å; R70-M74 VanDerWaalsContact O-N 3.07Å; R70-T199 VanDerWaalsContact CD-O 3.27Å; R70-T199 WeakPolarHBondContact CD-O 3.3Å; R70-T199 PolarHBondContact NE-O 3.17Å; R70-A200 PolarHBondContact NE-O 3.25Å; R70-S201 VanDerWaalsContact NH2-CA 3.26Å; R70-S201 PolarHBondContact NH2-OG 3.45Å
71T97.8Very high95.8Very high0 Ų020.8 Ų20.80%010%0.096CC..Hα-helixtrans-62.1-46.8174-58.40000110.9M67 F68 R73 M74 L75 P81 Y83 M152 V154M67-T71 WeakPolarHBondContact O-CB 3.38Å; M67-T71 PolarHBondContact O-N 3.3Å; M67-T71 PolarHBondContact O-OG1 3.34Å; F68-T71 PolarHBondContact O-N 2.73Å; T71-R73 PolarHBondContact O-N 2.85Å; T71-M74 PolarHBondContact O-N 2.97Å; T71-M74 VanDerWaalsContact O-N 3.17Å; T71-L75 HydrophobicContact CG2-CD1 3.98Å; T71-L75 HydrophobicContact CG2-CG 4.41Å; T71-L75 WeakPolarHBondContact O-CG 3.34Å; T71-L75 PolarHBondContact O-N 3.32Å; T71-P81 HydrophobicContact CG2-CG 4.28Å; T71-Y83 HydrophobicContact CG2-CE2 4.43Å; T71-Y83 WeakPolarHBondContact OG1-CE2 3.49Å; T71-Y83 PolarHBondContact OG1-OH 3.42Å; T71-M152 HydrophobicContact CG2-CE 3.75Å; T71-M152 HydrophobicContact CG2-SD 4.39Å; T71-V154 HydrophobicContact CG2-CB 4.47Å; T71-V154 HydrophobicContact CG2-CG1 4.37Å; T71-V154 HydrophobicContact CG2-CG2 3.74Å
72I96.6Very high96.1Very high3 Ų320.4 Ų20.42%0.0159%0.094CC..Hα-helixtrans-56.6-48.4175.8-69.4167000111.1F68 Y69 M74 L75 E76 M152 K331 I332F68-I72 HydrophobicContact CD1-CD1 3.69Å; F68-I72 HydrophobicContact CD2-CD1 4.09Å; F68-I72 HydrophobicContact CE1-CD1 3.43Å; F68-I72 VanDerWaalsContact CE1-CD1 3.43Å; F68-I72 HydrophobicContact CE2-CD1 3.86Å; F68-I72 HydrophobicContact CG-CD1 4.02Å; F68-I72 HydrophobicContact CZ-CD1 3.54Å; F68-I72 VanDerWaalsContact O-CG1 3.24Å; F68-I72 WeakPolarHBondContact O-CG1 3.45Å; F68-I72 PolarHBondContact O-N 3.07Å; Y69-I72 HydrophobicContact CD1-CD1 4.47Å; I72-M74 VanDerWaalsContact C-N 3.28Å; I72-M74 PolarHBondContact O-N 3.29Å; I72-L75 PolarHBondContact O-N 2.98Å; I72-E76 HydrophobicContact CG2-CG 4.13Å; I72-E76 WeakPolarHBondContact O-CB 3.42Å; I72-E76 WeakPolarHBondContact O-CG 3.38Å; I72-E76 PolarHBondContact O-N 2.95Å; I72-M152 HydrophobicContact CD1-CE 4.47Å; I72-M152 HydrophobicContact CG1-CE 3.91Å; I72-K331 HydrophobicContact CG2-CB 3.87Å; I72-K331 HydrophobicContact CG2-CD 3.98Å; I72-I332 HydrophobicContact CD1-CD1 4.33Å; I72-I332 HydrophobicContact CD1-CG1 4.44Å; I72-I332 HydrophobicContact CG1-CD1 3.92Å; I72-I332 HydrophobicContact CG1-CG1 3.73Å
73R95.8Very high96.3Very high33 Ų3320.4 Ų20.413%0.1259%0.094CC..Hα-helixtrans-56.6-42.9178.1177.9-176.8174.4-128.60.2111.8I23 Y69 R70 T71 N77 L198 A200I23-R73 HydrophobicContact CD1-CG 4.34Å; Y69-R73 WeakPolarHBondContact O-CB 3.15Å; Y69-R73 PolarHBondContact O-N 2.69Å; R70-R73 PolarHBondContact O-N 3.3Å; T71-R73 PolarHBondContact O-N 2.85Å; R73-N77 PolarHBondContact O-N 3.34Å; R73-N77 PolarHBondContact O-ND2 2.82Å; R73-L198 PolarHBondContact NH1-O 3.15Å; R73-A200 PolarHBondContact NH1-O 2.98Å
74M96.7Very high96.4Very high2 Ų220.4 Ų20.41%0.019%0.094CC..Hα-helixtrans-64.4-47.8177.7-73.1-175.6-68.800111.3I33 R70 T71 I72 E76 N77 G78 I79 P81 Y83 L198I33-M74 HydrophobicContact CD1-CE 3.42Å; I33-M74 VanDerWaalsContact CD1-CE 3.42Å; I33-M74 HydrophobicContact CD1-SD 3.45Å; I33-M74 WeakPolarHBondContact CD1-SD 3.4Å; R70-M74 WeakPolarHBondContact O-CE 3.3Å; R70-M74 WeakPolarHBondContact O-CG 3.36Å; R70-M74 PolarHBondContact O-N 2.76Å; R70-M74 VanDerWaalsContact O-N 3.07Å; T71-M74 PolarHBondContact O-N 2.97Å; T71-M74 VanDerWaalsContact O-N 3.17Å; I72-M74 VanDerWaalsContact C-N 3.28Å; I72-M74 PolarHBondContact O-N 3.29Å; M74-E76 PolarHBondContact O-N 3.38Å; M74-N77 CarbonylContact O-C 3.53Å; M74-N77 PolarHBondContact O-N 3.12Å; M74-N77 VanDerWaalsContact O-N 3.1Å; M74-G78 PolarHBondContact O-N 2.97Å; M74-I79 HydrophobicContact CB-CB 4.05Å; M74-I79 HydrophobicContact CB-CG2 4.22Å; M74-I79 HydrophobicContact CG-CD1 4.4Å; M74-I79 WeakPolarHBondContact O-CB 3.34Å; M74-I79 PolarHBondContact O-N 3.28Å; M74-P81 HydrophobicContact CB-CG 4.47Å; M74-P81 HydrophobicContact CE-CB 3.97Å; M74-P81 HydrophobicContact CE-CG 4.31Å; M74-P81 HydrophobicContact SD-CB 4.27Å; M74-Y83 HydrophobicContact CE-CE2 4.47Å; M74-Y83 WeakPolarHBondContact CE-OH 3.47Å; M74-L198 HydrophobicContact SD-CD2 3.92Å; M74-L198 HydrophobicContact SD-CG 3.96Å
75L95.9Very high96.5Very high18 Ų1820.5 Ų20.59%0.0949%0.094CC..Hα-helixtrans-60-44.1177.7-66.6170.7000111.8T71 I72 N77 G78 P81 V154 I332 S335T71-L75 HydrophobicContact CG2-CD1 3.98Å; T71-L75 HydrophobicContact CG2-CG 4.41Å; T71-L75 WeakPolarHBondContact O-CG 3.34Å; T71-L75 PolarHBondContact O-N 3.32Å; I72-L75 PolarHBondContact O-N 2.98Å; L75-N77 PolarHBondContact O-N 2.98Å; L75-G78 WeakPolarHBondContact O-CA 3.48Å; L75-G78 PolarHBondContact O-N 3.47Å; L75-P81 HydrophobicContact CD2-CG 4.31Å; L75-V154 HydrophobicContact CD1-CG2 4.13Å; L75-I332 HydrophobicContact CD1-CG1 4.23Å; L75-I332 HydrophobicContact CD1-CG2 4.16Å; L75-S335 WeakPolarHBondContact O-CB 3.15Å
76E94.4Very high96.6Very high93 Ų9320.6 Ų20.644%0.43510%0.096SC..Hα-helixtrans-60.2-29.3175.9-74.8-174.2120.400113I72 M74 G78 K331I72-E76 HydrophobicContact CG2-CG 4.13Å; I72-E76 WeakPolarHBondContact O-CB 3.42Å; I72-E76 WeakPolarHBondContact O-CG 3.38Å; I72-E76 PolarHBondContact O-N 2.95Å; M74-E76 PolarHBondContact O-N 3.38Å; E76-G78 VanDerWaalsContact C-N 3.26Å; E76-K331 HydrophobicContact CG-CB 4.33Å; E76-K331 VanDerWaalsContact OE1-CD 3.31Å; E76-K331 WeakPolarHBondContact OE1-CD 3.4Å; E76-K331 WeakPolarHBondContact OE1-CG 3.28Å; E76-K331 IonicContact OE1-NZ 3.91Å; E76-K331 IonicContact OE2-NZ 3.88Å
77N93.8Very high96.7Very high30 Ų3022 Ų2216%0.1611%0.111CC..THydrogen-bonded Turntrans-87.79.9173.4-73.5-83.4000113I23 K24 F27 R73 M74 L75 I79I23-N77 HydrophobicContact CG1-CB 4.32Å; K24-N77 WeakPolarHBondContact CG-OD1 3.31Å; F27-N77 WeakPolarHBondContact CA-O 3.39Å; R73-N77 PolarHBondContact O-N 3.34Å; R73-N77 PolarHBondContact O-ND2 2.82Å; M74-N77 CarbonylContact O-C 3.53Å; M74-N77 PolarHBondContact O-N 3.12Å; M74-N77 VanDerWaalsContact O-N 3.1Å; L75-N77 PolarHBondContact O-N 2.98Å; N77-I79 PolarHBondContact O-N 2.98Å
78G93.9Very high96.5Very high10 Ų1029.7 Ų29.710%0.10314%0.144CC..THydrogen-bonded Turntrans72.112.2179.200000114.5G28 M74 L75 E76G28-G78 WeakPolarHBondContact CA-O 3.42Å; G28-G78 PolarHBondContact N-O 2.78Å; M74-G78 PolarHBondContact O-N 2.97Å; L75-G78 WeakPolarHBondContact O-CA 3.48Å; L75-G78 PolarHBondContact O-N 3.47Å; E76-G78 VanDerWaalsContact C-N 3.26Å
79I96.3Very high96.3Very high1 Ų132.7 Ų32.71%0.00516%0.164CC..  trans-75.6140.4173-62.1171.9000108.3I23 I31 M74 N77 P81 L198I23-I79 HydrophobicContact CD1-CD1 4.11Å; I23-I79 HydrophobicContact CG1-CD1 3.6Å; I31-I79 HydrophobicContact CB-CG2 4.33Å; I31-I79 HydrophobicContact CD1-CD1 4.43Å; I31-I79 HydrophobicContact CD1-CG2 3.76Å; I31-I79 HydrophobicContact CG1-CG2 4.2Å; M74-I79 HydrophobicContact CB-CB 4.05Å; M74-I79 HydrophobicContact CB-CG2 4.22Å; M74-I79 HydrophobicContact CG-CD1 4.4Å; M74-I79 WeakPolarHBondContact O-CB 3.34Å; M74-I79 PolarHBondContact O-N 3.28Å; N77-I79 PolarHBondContact O-N 2.98Å; I79-P81 WeakPolarHBondContact O-CD 3.41Å; I79-L198 HydrophobicContact CD1-CD1 3.94Å
80K97.1Very high96.2Very high65 Ų6529.8 Ų29.828%0.28316%0.155SC..EExtended strand (participates in β ladder)trans-106.488.5175.7-64.2-178.5-177.11790108.8R29 K30 I31 W302R29-K80 PolarHBondContact O-N 2.98Å; K30-K80 VanDerWaalsContact CA-O 3.28Å; K30-K80 WeakPolarHBondContact CA-O 3.47Å; K30-K80 HydrophobicContact CG-CB 4.05Å; K30-K80 HydrophobicContact CG-CD 4.35Å; I31-K80 PolarHBondContact N-O 2.97Å; K80-W302 VanDerWaalsContact C-CZ2 3.49Å; K80-W302 HydrophobicContact CB-CD2 4.14Å; K80-W302 HydrophobicContact CB-CE3 4.48Å; K80-W302 HydrophobicContact CB-CH2 4.06Å; K80-W302 HydrophobicContact CB-CZ2 3.68Å; K80-W302 HydrophobicContact CB-CZ3 4.44Å; K80-W302 VanDerWaalsContact O-CZ2 3.27Å; K80-W302 WeakPolarHBondContact O-CZ2 3.39Å
81P98.3Very high96.1Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-76138.6-176.831.1-35.5000111.2I31 I33 T71 M74 L75 I79 Y83 V154 W302I31-P81 WeakPolarHBondContact O-CA 3.24Å; I33-P81 HydrophobicContact CD1-CB 3.51Å; I33-P81 HydrophobicContact CG1-CB 4.41Å; T71-P81 HydrophobicContact CG2-CG 4.28Å; M74-P81 HydrophobicContact CB-CG 4.47Å; M74-P81 HydrophobicContact CE-CB 3.97Å; M74-P81 HydrophobicContact CE-CG 4.31Å; M74-P81 HydrophobicContact SD-CB 4.27Å; L75-P81 HydrophobicContact CD2-CG 4.31Å; I79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-Y83 HydrophobicContact CB-CE2 4.21Å; P81-V154 HydrophobicContact CG-CG1 4.1Å; P81-V154 WeakPolarHBondContact O-CG1 3.32Å; P81-W302 VanDerWaalsContact O-CE2 3.27Å; P81-W302 VanDerWaalsContact O-CZ2 3.28Å; P81-W302 WeakPolarHBondContact O-CZ2 3.23Å; P81-W302 PolarHBondContact O-NE1 3.47Å
82V98.5Very high95.9Very high0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-120126.116255.10000107.9I31 A32 I33 P155 I157 V176 L300 W302I31-V82 PolarHBondContact O-N 3.17Å; A32-V82 CarbonylContact C-O 3.55Å; A32-V82 WeakPolarHBondContact CA-O 3.35Å; A32-V82 HydrophobicContact CB-CG1 3.94Å; I33-V82 PolarHBondContact N-O 3.48Å; V82-P155 WeakPolarHBondContact CA-O 3.4Å; V82-P155 HydrophobicContact CB-CG 4.26Å; V82-P155 HydrophobicContact CG2-CB 4.41Å; V82-P155 HydrophobicContact CG2-CG 4.31Å; V82-I157 HydrophobicContact CG2-CD1 4.02Å; V82-I157 HydrophobicContact CG2-CG1 4.14Å; V82-V176 HydrophobicContact CG1-CG1 3.84Å; V82-L300 HydrophobicContact CB-CD1 4.3Å; V82-L300 HydrophobicContact CB-CD2 4.18Å; V82-L300 HydrophobicContact CG1-CD1 3.96Å; V82-L300 HydrophobicContact CG2-CD2 3.64Å; V82-W302 HydrophobicContact CB-CZ2 4.29Å
83Y98.7Very high95.7Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-89.3137.6179.5-76.9-89000110.7I33 A35 M67 T71 M74 P81 L149 V154 P155 Y156 I157I33-Y83 HydrophobicContact CB-CD1 3.96Å; I33-Y83 HydrophobicContact CB-CE1 4.05Å; I33-Y83 HydrophobicContact CB-CG 4.49Å; I33-Y83 HydrophobicContact CD1-CE1 4.15Å; I33-Y83 HydrophobicContact CD1-CE2 4.29Å; I33-Y83 HydrophobicContact CG2-CD1 3.95Å; I33-Y83 HydrophobicContact CG2-CE1 3.71Å; I33-Y83 CarbonylContact O-C 3.56Å; I33-Y83 WeakPolarHBondContact O-CA 3.37Å; A35-Y83 HydrophobicContact CB-CD1 4Å; M67-Y83 HydrophobicContact CE-CD1 4.12Å; M67-Y83 HydrophobicContact CE-CE1 3.97Å; M67-Y83 HydrophobicContact SD-CD1 3.89Å; M67-Y83 HydrophobicContact SD-CD2 4.49Å; M67-Y83 HydrophobicContact SD-CE1 3.3Å; M67-Y83 WeakPolarHBondContact SD-CE1 3.47Å; M67-Y83 HydrophobicContact SD-CE2 3.99Å; M67-Y83 HydrophobicContact SD-CG 4.43Å; T71-Y83 HydrophobicContact CG2-CE2 4.43Å; T71-Y83 WeakPolarHBondContact OG1-CE2 3.49Å; T71-Y83 PolarHBondContact OG1-OH 3.42Å; M74-Y83 HydrophobicContact CE-CE2 4.47Å; M74-Y83 WeakPolarHBondContact CE-OH 3.47Å; P81-Y83 HydrophobicContact CB-CE2 4.21Å; Y83-L149 HydrophobicContact CD2-CD1 3.71Å; Y83-L149 HydrophobicContact CD2-CD2 3.53Å; Y83-L149 HydrophobicContact CD2-CG 4.29Å; Y83-L149 HydrophobicContact CE2-CD1 4.49Å; Y83-L149 HydrophobicContact CE2-CD2 3.61Å; Y83-L149 HydrophobicContact CG-CD1 3.73Å; Y83-L149 HydrophobicContact CG-CD2 4.34Å; Y83-V154 HydrophobicContact CD2-CG1 4.12Å; Y83-V154 HydrophobicContact CE2-CG1 4.34Å; Y83-P155 PolarHBondContact N-O 3.34Å; Y83-Y156 CarbonylContact O-C 3.45Å; Y83-Y156 WeakPolarHBondContact O-CA 3.38Å; Y83-Y156 WeakPolarHBondContact O-CB 3.5Å; Y83-I157 PolarHBondContact O-N 3.25Å
84V98.6Very high95.6Very high0 Ų040.4 Ų40.40%022%0.216CC..EExtended strand (participates in β ladder)trans-118.7119.6176.8-172.80000107.9A32 I33 A35 I157 A159 A163 C167 L170A32-V84 HydrophobicContact CB-CG2 4.36Å; I33-V84 PolarHBondContact O-N 3.06Å; A35-V84 WeakPolarHBondContact CB-O 3.23Å; A35-V84 PolarHBondContact N-O 3.35Å; V84-I157 WeakPolarHBondContact CA-O 3.45Å; V84-I157 HydrophobicContact CG2-CB 4.39Å; V84-A159 HydrophobicContact CG1-CB 4.01Å; V84-A163 HydrophobicContact CB-CB 4.21Å; V84-A163 HydrophobicContact CG1-CB 3.92Å; V84-A163 WeakPolarHBondContact O-CB 3.45Å; V84-C167 WeakPolarHBondContact CG2-SG 2.95Å; V84-L170 HydrophobicContact CG2-CD1 4.35Å
85F98.3Very high95.3Very high1 Ų142.7 Ų42.70%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-95.1143.4178.4-70.2-98.2000110.1A35 I39 N142 C145 K146 L149 Y156 I157 A159A35-F85 HydrophobicContact CB-CD1 3.77Å; A35-F85 HydrophobicContact CB-CD2 3.94Å; A35-F85 HydrophobicContact CB-CE1 3.82Å; A35-F85 HydrophobicContact CB-CE2 3.95Å; A35-F85 HydrophobicContact CB-CG 3.84Å; A35-F85 HydrophobicContact CB-CZ 3.9Å; I39-F85 HydrophobicContact CD1-CD1 4.41Å; I39-F85 HydrophobicContact CD1-CE1 3.74Å; F85-N142 HydrophobicContact CD1-CB 4.14Å; F85-N142 HydrophobicContact CE1-CB 4.23Å; F85-C145 HydrophobicContact CE1-CB 4.11Å; F85-C145 HydrophobicContact CZ-CB 3.98Å; F85-K146 HydrophobicContact CD1-CG 4.47Å; F85-K146 HydrophobicContact CD2-CG 4.16Å; F85-K146 HydrophobicContact CE1-CG 4.02Å; F85-K146 HydrophobicContact CE2-CG 3.7Å; F85-K146 HydrophobicContact CZ-CG 3.63Å; F85-L149 HydrophobicContact CE2-CD1 3.92Å; F85-L149 HydrophobicContact CZ-CD1 3.97Å; F85-Y156 AromaticContact CD2-CD2 3.99Å; F85-Y156 HydrophobicContact CD2-CD2 3.99Å; F85-Y156 HydrophobicContact CD2-CG 4.31Å; F85-Y156 HydrophobicContact CE2-CD2 4.05Å; F85-Y156 AromaticContact CE2-CG 3.97Å; F85-Y156 HydrophobicContact CE2-CG 3.97Å; F85-I157 PolarHBondContact N-O 3.1Å; F85-A159 WeakPolarHBondContact O-CB 3.45Å; F85-A159 PolarHBondContact O-N 2.91Å
86D96.9Very high95.1Very high55 Ų5543.5 Ų43.529%0.29424%0.239SC..  trans-62.3145.6173-68.8-37.3000111.7S36 A163S36-D86 WeakPolarHBondContact CB-OD2 3.36Å; S36-D86 PolarHBondContact OG-N 3.23Å; S36-D86 PolarHBondContact OG-OD2 2.97Å; D86-A163 WeakPolarHBondContact OD1-CB 3.49Å; D86-A163 PolarHBondContact OD1-N 2.96Å
87G95.7Very high94.9Very high34 Ų3442.5 Ų42.535%0.35124%0.236SC..  trans-94.6-134.5164.200000111.6A159 C161G87-A159 WeakPolarHBondContact CA-O 3.33Å; G87-A159 PolarHBondContact N-O 3.43Å; G87-C161 PolarHBondContact N-O 3.26Å
88K93.8Very high94.8Very high160 Ų16047.3 Ų47.370%0.69626%0.257SS*.SBendtrans-81.2127.7-178.9-174-179.4176.8-177.90109.5P160 C161K88-P160 PolarHBondContact N-O 2.98Å; K88-P160 VanDerWaalsContact N-O 3.07Å; K88-C161 WeakPolarHBondContact O-CA 3.15Å; K88-C161 PolarHBondContact O-SG 3.37Å
89P93.3Very high94.7Very high64 Ų6452 Ų5242%0.41628%0.275SS..PPolyproline II helixtrans-63.1147177.126.5-34.3000110.9L97P89-L97 HydrophobicContact CB-CD1 4.08Å; P89-L97 HydrophobicContact CG-CD1 4.07Å
90P94.1Very high94.4Very high17 Ų1755.2 Ų55.211%0.1129%0.287CS..PPolyproline II helixtrans-69.5150.5178.828.5-29.2000110L92 K93 C161 Y238 L286P90-L92 PolarHBondContact O-N 2.91Å; P90-K93 HydrophobicContact CG-CB 4.02Å; P90-K93 WeakPolarHBondContact O-CB 3.31Å; P90-K93 PolarHBondContact O-N 3.35Å; P90-C161 WeakPolarHBondContact CD-SG 3.5Å; P90-Y238 HydrophobicContact CG-CD1 4.02Å; P90-Y238 HydrophobicContact CG-CE1 3.66Å; P90-L286 HydrophobicContact CB-CD1 3.96Å; P90-L286 HydrophobicContact CB-CD2 4.3Å; P90-L286 HydrophobicContact CG-CD1 4.41Å; P90-L286 HydrophobicContact CG-CD2 4.06Å
91Q93.3Very high94.1Very high171 Ų17153.3 Ų53.380%0.79929%0.286SS*.G310 helixtrans-57.9-34.6-177.7-67.8-177.51.300112.4K93 S94Q91-K93 PolarHBondContact O-N 2.94Å; Q91-S94 WeakPolarHBondContact O-CB 3.49Å; Q91-S94 PolarHBondContact O-N 3.11Å; Q91-S94 VanDerWaalsContact O-N 3.07Å; Q91-S94 PolarHBondContact O-OG 3.48Å
92L93.3Very high93.8Very high37 Ų3759.1 Ų59.119%0.19431%0.313CS..G310 helixtrans-60-25.9177.2-65.8175000113.3P90 S94 Y238 L279 E282 L286P90-L92 PolarHBondContact O-N 2.91Å; L92-S94 VanDerWaalsContact C-N 3.27Å; L92-S94 PolarHBondContact O-N 3Å; L92-Y238 HydrophobicContact CB-CD1 4.45Å; L92-L279 HydrophobicContact CD2-CB 4.15Å; L92-L279 HydrophobicContact CD2-CD1 3.7Å; L92-E282 HydrophobicContact CD1-CB 3.85Å; L92-E282 HydrophobicContact CD2-CB 3.96Å; L92-L286 HydrophobicContact CD1-CB 4.26Å; L92-L286 HydrophobicContact CD1-CD2 4.33Å
93K93.7Very high93.4Very high17 Ų1765.3 Ų65.37%0.07434%0.337CS..G310 helixtrans-80-6.1179.1-162163.4-175.9172.20112.9P90 Q91 A95 E96 L97 E162 D237 Y238P90-K93 HydrophobicContact CG-CB 4.02Å; P90-K93 WeakPolarHBondContact O-CB 3.31Å; P90-K93 PolarHBondContact O-N 3.35Å; Q91-K93 PolarHBondContact O-N 2.94Å; K93-A95 PolarHBondContact O-N 3.08Å; K93-E96 PolarHBondContact O-N 3.29Å; K93-L97 HydrophobicContact CG-CG 4.24Å; K93-L97 VanDerWaalsContact O-CG 3.32Å; K93-L97 WeakPolarHBondContact O-CG 3.45Å; K93-L97 PolarHBondContact O-N 3.27Å; K93-E162 WeakPolarHBondContact CD-OE1 3.31Å; K93-E162 WeakPolarHBondContact CE-OE1 3.31Å; K93-E162 IonicContact NZ-OE1 3.66Å; K93-E162 PolarHBondContact NZ-OE1 2.86Å; K93-E162 IonicContact NZ-OE2 2.64Å; K93-E162 PolarHBondContact NZ-OE2 3.23Å; K93-D237 HydrophobicContact CG-CB 4.46Å; K93-Y238 HydrophobicContact CB-CD1 4.1Å; K93-Y238 HydrophobicContact CB-CE1 4.24Å; K93-Y238 HydrophobicContact CD-CE1 3.94Å; K93-Y238 HydrophobicContact CG-CE1 4.41Å
94S92.9Very high93Very high74 Ų7468.9 Ų68.952%0.51735%0.35SS..Hα-helixtrans-56.2-46-176.355.50000113.3Q91 L92 E96 L97 E98Q91-S94 WeakPolarHBondContact O-CB 3.49Å; Q91-S94 PolarHBondContact O-N 3.11Å; Q91-S94 VanDerWaalsContact O-N 3.07Å; Q91-S94 PolarHBondContact O-OG 3.48Å; L92-S94 VanDerWaalsContact C-N 3.27Å; L92-S94 PolarHBondContact O-N 3Å; S94-E96 PolarHBondContact O-N 2.99Å; S94-L97 WeakPolarHBondContact O-CB 3.44Å; S94-L97 PolarHBondContact O-N 3.42Å; S94-E98 PolarHBondContact O-N 2.94Å
95A91.1Very high92.6Very high50 Ų5071 Ų7141%0.41337%0.368SS..Hα-helixtrans-63.5-38.3179.200000112.6K93 E98 K99K93-A95 PolarHBondContact O-N 3.08Å; A95-E98 PolarHBondContact O-N 3.45Å; A95-K99 WeakPolarHBondContact O-CG 3.3Å; A95-K99 PolarHBondContact O-N 3.28Å
96E90.8Very high92.2Very high34 Ų3476.1 Ų76.116%0.15939%0.392CS..Hα-helixtrans-70.6-36.9175.1175.554.6-15600111.4K93 S94 E98 K99 R100 R103 D237K93-E96 PolarHBondContact O-N 3.29Å; S94-E96 PolarHBondContact O-N 2.99Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.86Å; E96-K99 PolarHBondContact O-N 3.14Å; E96-R100 WeakPolarHBondContact O-CB 3.46Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 2.91Å; E96-R100 IonicContact OE1-CZ 3.46Å; E96-R100 IonicContact OE1-NE 3.67Å; E96-R100 PolarHBondContact OE1-NE 3.04Å; E96-R100 IonicContact OE1-NH2 3.61Å; E96-R103 IonicContact OE1-CZ 2.75Å; E96-R103 IonicContact OE1-NH2 2.97Å; E96-R103 PolarHBondContact OE1-NH2 2.97Å; E96-R103 IonicContact OE2-NH2 2.86Å; E96-D237 HydrophobicContact CB-CB 4.49Å; E96-D237 VanDerWaalsContact CB-O 3.3Å; E96-D237 WeakPolarHBondContact CB-O 3.35Å; E96-D237 HydrophobicContact CG-CB 4.09Å
97L90.3Very high91.8Very high73 Ų7373.6 Ų73.638%0.38238%0.379SS..Hα-helixtrans-63.5-38.6174.1-67.9174.2000112.2P89 K93 S94 R100 G101P89-L97 HydrophobicContact CB-CD1 4.08Å; P89-L97 HydrophobicContact CG-CD1 4.07Å; K93-L97 HydrophobicContact CG-CG 4.24Å; K93-L97 VanDerWaalsContact O-CG 3.32Å; K93-L97 WeakPolarHBondContact O-CG 3.45Å; K93-L97 PolarHBondContact O-N 3.27Å; S94-L97 WeakPolarHBondContact O-CB 3.44Å; S94-L97 PolarHBondContact O-N 3.42Å; L97-R100 WeakPolarHBondContact O-CB 3.28Å; L97-R100 PolarHBondContact O-N 3.2Å; L97-G101 PolarHBondContact O-N 3.43Å
98E92.7Very high91.5Very high130 Ų13077.9 Ų77.961%0.60739%0.389SS*.Hα-helixtrans-64.2-50174.1-175.2171.8-152.400111.1S94 A95 E96 R100 G101 E102S94-E98 PolarHBondContact O-N 2.94Å; A95-E98 PolarHBondContact O-N 3.45Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.86Å; E98-R100 PolarHBondContact O-N 3.46Å; E98-G101 CarbonylContact O-C 3.52Å; E98-G101 WeakPolarHBondContact O-CA 3.39Å; E98-G101 PolarHBondContact O-N 3.41Å; E98-E102 PolarHBondContact O-N 2.9Å
99K91Very high91.3Very high110 Ų11078 Ų7848%0.47839%0.39SS..Hα-helixtrans-57.2-34.7173.3-71.9173.3-175.2173.40112.8A95 E96 G101 R103A95-K99 WeakPolarHBondContact O-CG 3.3Å; A95-K99 PolarHBondContact O-N 3.28Å; E96-K99 PolarHBondContact O-N 3.14Å; K99-G101 VanDerWaalsContact C-N 3.33Å; K99-R103 WeakPolarHBondContact O-CB 3.24Å; K99-R103 VanDerWaalsContact O-CG 3.3Å; K99-R103 WeakPolarHBondContact O-CG 3.39Å; K99-R103 PolarHBondContact O-N 3.17Å; K99-R103 VanDerWaalsContact O-N 3.11Å; K99-R103 PolarHBondContact O-NE 2.98Å
100R89.7Confident91Very high67 Ų6778.2 Ų78.225%0.25339%0.386SS..Hα-helixtrans-69.3-31172-73.1177.1-170.4-172.84.4111.8E96 L97 E98 R104 D237E96-R100 WeakPolarHBondContact O-CB 3.46Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 2.91Å; E96-R100 IonicContact OE1-CZ 3.46Å; E96-R100 IonicContact OE1-NE 3.67Å; E96-R100 PolarHBondContact OE1-NE 3.04Å; E96-R100 IonicContact OE1-NH2 3.61Å; L97-R100 WeakPolarHBondContact O-CB 3.28Å; L97-R100 PolarHBondContact O-N 3.2Å; E98-R100 PolarHBondContact O-N 3.46Å; R100-R104 VanDerWaalsContact O-CG 3.29Å; R100-R104 WeakPolarHBondContact O-CG 3.5Å; R100-R104 PolarHBondContact O-N 3.36Å; R100-R104 PolarHBondContact O-NE 3.02Å; R100-D237 IonicContact CZ-OD2 4Å; R100-D237 VanDerWaalsContact NH2-CG 3.35Å; R100-D237 IonicContact NH2-OD1 3.68Å; R100-D237 PolarHBondContact NH2-OD1 2.89Å; R100-D237 IonicContact NH2-OD2 2.94Å; R100-D237 PolarHBondContact NH2-OD2 2.86Å
101G90.8Very high90.6Very high26 Ų2678.3 Ų78.327%0.26839%0.386SS..Hα-helixtrans-66.1-51.3170.900000112.3L97 E98 K99 R103 R104 A105L97-G101 PolarHBondContact O-N 3.43Å; E98-G101 CarbonylContact O-C 3.52Å; E98-G101 WeakPolarHBondContact O-CA 3.39Å; E98-G101 PolarHBondContact O-N 3.41Å; K99-G101 VanDerWaalsContact C-N 3.33Å; G101-R103 PolarHBondContact O-N 3.11Å; G101-R104 WeakPolarHBondContact O-CB 3.41Å; G101-R104 PolarHBondContact O-N 3.08Å; G101-R104 VanDerWaalsContact O-N 3.08Å; G101-A105 PolarHBondContact O-N 2.98Å
102E92.9Very high90.3Very high121 Ų12172.2 Ų72.257%0.56537%0.365SS*.Hα-helixtrans-58.7-48.5179.1-66.3177.5158.500112.1E98 R104 A105 E106E98-E102 PolarHBondContact O-N 2.9Å; E102-R104 PolarHBondContact O-N 3.45Å; E102-A105 PolarHBondContact O-N 3.31Å; E102-A105 VanDerWaalsContact O-N 3.13Å; E102-E106 PolarHBondContact O-N 2.94Å
103R89.6Confident89.9Confident130 Ų13077 Ų7749%0.49138%0.384SS..Hα-helixtrans-58.1-32.2176-76.8-179.8-73.6-179.8-7.9112.8E96 K99 G101 A107E96-R103 IonicContact OE1-CZ 2.75Å; E96-R103 IonicContact OE1-NH2 2.97Å; E96-R103 PolarHBondContact OE1-NH2 2.97Å; E96-R103 IonicContact OE2-NH2 2.86Å; K99-R103 WeakPolarHBondContact O-CB 3.24Å; K99-R103 VanDerWaalsContact O-CG 3.3Å; K99-R103 WeakPolarHBondContact O-CG 3.39Å; K99-R103 PolarHBondContact O-N 3.17Å; K99-R103 VanDerWaalsContact O-N 3.11Å; K99-R103 PolarHBondContact O-NE 2.98Å; G101-R103 PolarHBondContact O-N 3.11Å; R103-A107 VanDerWaalsContact O-CB 3.29Å; R103-A107 WeakPolarHBondContact O-CB 3.36Å; R103-A107 PolarHBondContact O-N 2.97Å
104R89.8Confident89.4Confident76 Ų7676.4 Ų76.429%0.28738%0.382SS..Hα-helixtrans-74.4-44.7175.8-78.1-178.3-66.9137.80.1111.4R100 G101 E102 E106 A107 E108 R133 L134R100-R104 VanDerWaalsContact O-CG 3.29Å; R100-R104 WeakPolarHBondContact O-CG 3.5Å; R100-R104 PolarHBondContact O-N 3.36Å; R100-R104 PolarHBondContact O-NE 3.02Å; G101-R104 WeakPolarHBondContact O-CB 3.41Å; G101-R104 PolarHBondContact O-N 3.08Å; G101-R104 VanDerWaalsContact O-N 3.08Å; E102-R104 PolarHBondContact O-N 3.45Å; R104-E106 VanDerWaalsContact C-N 3.28Å; R104-E106 PolarHBondContact O-N 3.32Å; R104-A107 PolarHBondContact O-N 3.15Å; R104-A107 VanDerWaalsContact O-N 3.16Å; R104-E108 WeakPolarHBondContact O-CB 3.37Å; R104-E108 PolarHBondContact O-N 3Å; R104-R133 WeakPolarHBondContact CG-O 3.49Å; R104-L134 HydrophobicContact CB-CD2 4.45Å; R104-L134 VanDerWaalsContact O-CD2 3.25Å; R104-L134 WeakPolarHBondContact O-CD2 3.36Å
105A90.8Very high88.9Confident45 Ų4578.1 Ų78.137%0.37238%0.382SS..Hα-helixtrans-60.9-38.1175.700000112G101 E102 E108 K109G101-A105 PolarHBondContact O-N 2.98Å; E102-A105 PolarHBondContact O-N 3.31Å; E102-A105 VanDerWaalsContact O-N 3.13Å; A105-E108 PolarHBondContact O-N 3.34Å; A105-K109 WeakPolarHBondContact O-CG 3.41Å; A105-K109 PolarHBondContact O-N 3.23Å
106E90.8Very high88.5Confident108 Ų10883.3 Ų83.351%0.50540%0.398SS..Hα-helixtrans-66.3-45.8172.8-171-175.6-175.600111.7E102 R104 E108 K109 M110E102-E106 PolarHBondContact O-N 2.94Å; R104-E106 VanDerWaalsContact C-N 3.28Å; R104-E106 PolarHBondContact O-N 3.32Å; E106-E108 PolarHBondContact O-N 3.38Å; E106-K109 PolarHBondContact O-N 2.72Å; E106-M110 HydrophobicContact CG-CE 3.79Å; E106-M110 HydrophobicContact CG-SD 4.48Å; E106-M110 WeakPolarHBondContact O-CG 3.49Å; E106-M110 PolarHBondContact O-N 3.09Å; E106-M110 WeakPolarHBondContact OE1-CE 3.24Å
107A88.1Confident87.9Confident2 Ų284.5 Ų84.52%0.01741%0.405CS..Hα-helixtrans-61.8-31.717700000112.6R103 R104 M110 L111 R133 L134R103-A107 VanDerWaalsContact O-CB 3.29Å; R103-A107 WeakPolarHBondContact O-CB 3.36Å; R103-A107 PolarHBondContact O-N 2.97Å; R104-A107 PolarHBondContact O-N 3.15Å; R104-A107 VanDerWaalsContact O-N 3.16Å; A107-M110 PolarHBondContact O-N 2.97Å; A107-L111 WeakPolarHBondContact O-CB 3.47Å; A107-L111 PolarHBondContact O-N 3.23Å; A107-R133 HydrophobicContact CB-CB 3.87Å; A107-L134 HydrophobicContact CB-CD2 3.98Å
108E89.3Confident86.9Confident123 Ų12386.7 Ų86.758%0.57541%0.412SS*.Hα-helixtrans-67.8-45.7177.1-172.7172.3-16500111.1R104 A105 E106 M110 L111 A112 L134R104-E108 WeakPolarHBondContact O-CB 3.37Å; R104-E108 PolarHBondContact O-N 3Å; A105-E108 PolarHBondContact O-N 3.34Å; E106-E108 PolarHBondContact O-N 3.38Å; E108-M110 VanDerWaalsContact C-N 3.31Å; E108-M110 PolarHBondContact O-N 3.48Å; E108-L111 PolarHBondContact O-N 3.09Å; E108-A112 PolarHBondContact O-N 2.82Å; E108-L134 HydrophobicContact CB-CD1 4.43Å; E108-L134 HydrophobicContact CB-CD2 3.87Å
109K90Very high85.4Confident163 Ų16388.5 Ų88.571%0.70943%0.425SS*.Hα-helixtrans-59.9-42.3172.8-67.6175-176.6178.40111.7A105 E106 K113A105-K109 WeakPolarHBondContact O-CG 3.41Å; A105-K109 PolarHBondContact O-N 3.23Å; E106-K109 PolarHBondContact O-N 2.72Å; K109-K113 PolarHBondContact O-N 3.34Å; K109-K113 VanDerWaalsContact O-N 3.17Å
110M86.8Confident84.4Confident68 Ų6888.9 Ų88.934%0.33543%0.427SS..Hα-helixtrans-66-38.3177-69.9-179.1179.100112.2E106 A107 E108 A114 F130E106-M110 HydrophobicContact CG-CE 3.79Å; E106-M110 HydrophobicContact CG-SD 4.48Å; E106-M110 WeakPolarHBondContact O-CG 3.49Å; E106-M110 PolarHBondContact O-N 3.09Å; E106-M110 WeakPolarHBondContact OE1-CE 3.24Å; A107-M110 PolarHBondContact O-N 2.97Å; E108-M110 VanDerWaalsContact C-N 3.31Å; E108-M110 PolarHBondContact O-N 3.48Å; M110-A114 WeakPolarHBondContact O-CB 3.27Å; M110-A114 PolarHBondContact O-N 3.48Å; M110-F130 HydrophobicContact CB-CD1 3.89Å; M110-F130 HydrophobicContact CB-CD2 4.09Å; M110-F130 HydrophobicContact CB-CE1 3.77Å; M110-F130 HydrophobicContact CB-CE2 3.96Å; M110-F130 HydrophobicContact CB-CG 4.08Å; M110-F130 HydrophobicContact CB-CZ 3.81Å; M110-F130 HydrophobicContact CG-CE1 4.23Å; M110-F130 HydrophobicContact CG-CZ 4.33Å; M110-F130 HydrophobicContact SD-CD1 4.22Å; M110-F130 HydrophobicContact SD-CE1 3.45Å; M110-F130 WeakPolarHBondContact SD-CE1 3.48Å; M110-F130 HydrophobicContact SD-CZ 3.85Å
111L85.8Confident83.2Confident19 Ų1992.1 Ų92.110%0.09946%0.456CS..Hα-helixtrans-64.6-47.6176.6-179.463.5000111.3A107 E108 K113 A114 Q115 I127 F130 L134A107-L111 WeakPolarHBondContact O-CB 3.47Å; A107-L111 PolarHBondContact O-N 3.23Å; E108-L111 PolarHBondContact O-N 3.09Å; L111-K113 VanDerWaalsContact C-N 3.31Å; L111-K113 PolarHBondContact O-N 3.45Å; L111-A114 PolarHBondContact O-N 3.28Å; L111-A114 VanDerWaalsContact O-N 3.1Å; L111-Q115 HydrophobicContact CD1-CG 4.28Å; L111-Q115 HydrophobicContact CG-CG 4.43Å; L111-Q115 WeakPolarHBondContact O-CG 3.48Å; L111-Q115 PolarHBondContact O-N 3.47Å; L111-I127 HydrophobicContact CD1-CB 4.23Å; L111-I127 HydrophobicContact CD1-CG1 4.28Å; L111-I127 HydrophobicContact CD1-CG2 3.94Å; L111-F130 HydrophobicContact CB-CB 3.92Å; L111-F130 HydrophobicContact CD1-CB 4.1Å; L111-L134 HydrophobicContact CB-CD1 4.45Å; L111-L134 HydrophobicContact CD2-CD1 3.42Å; L111-L134 VanDerWaalsContact CD2-CD1 3.42Å
112A85.9Confident82.1Confident44 Ų4493.3 Ų93.336%0.36447%0.468SS..Hα-helixtrans-57.2-46.117800000111.3E108 A114 Q115 E116E108-A112 PolarHBondContact O-N 2.82Å; A112-A114 VanDerWaalsContact C-N 3.35Å; A112-A114 PolarHBondContact O-N 2.91Å; A112-Q115 PolarHBondContact O-N 2.99Å; A112-E116 WeakPolarHBondContact O-CG 3.34Å; A112-E116 PolarHBondContact O-N 2.9Å
113K86Confident81.3Confident136 Ų13689.3 Ų89.359%0.59145%0.449SS*.Hα-helixtrans-62.9-38.9175.8-172.4176.5-179.7178.70112.8K109 L111 E116 L117K109-K113 PolarHBondContact O-N 3.34Å; K109-K113 VanDerWaalsContact O-N 3.17Å; L111-K113 VanDerWaalsContact C-N 3.31Å; L111-K113 PolarHBondContact O-N 3.45Å; K113-E116 PolarHBondContact O-N 3.26Å; K113-L117 HydrophobicContact CG-CD1 4.33Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 2.87Å
114A83.1Confident80.5Confident5 Ų587.5 Ų87.54%0.04145%0.447CS..Hα-helixtrans-68-37.117700000111.8M110 L111 A112 L117 F118 I127 F130M110-A114 WeakPolarHBondContact O-CB 3.27Å; M110-A114 PolarHBondContact O-N 3.48Å; L111-A114 PolarHBondContact O-N 3.28Å; L111-A114 VanDerWaalsContact O-N 3.1Å; A112-A114 VanDerWaalsContact C-N 3.35Å; A112-A114 PolarHBondContact O-N 2.91Å; A114-L117 CarbonylContact O-C 3.46Å; A114-L117 PolarHBondContact O-N 3.42Å; A114-F118 PolarHBondContact O-N 2.84Å; A114-F118 VanDerWaalsContact O-N 3.14Å; A114-I127 HydrophobicContact CB-CG1 3.77Å; A114-F130 HydrophobicContact CB-CD2 4.36Å
115Q81.9Confident79.9Confident111 Ų11191.2 Ų91.252%0.51947%0.467SS..Hα-helixtrans-67-36.5175-72.7174.9-39.500112.5L111 A112 L117 F118 I127L111-Q115 HydrophobicContact CD1-CG 4.28Å; L111-Q115 HydrophobicContact CG-CG 4.43Å; L111-Q115 WeakPolarHBondContact O-CG 3.48Å; L111-Q115 PolarHBondContact O-N 3.47Å; A112-Q115 PolarHBondContact O-N 2.99Å; Q115-L117 PolarHBondContact O-N 3.41Å; Q115-F118 WeakPolarHBondContact O-CB 3.36Å; Q115-F118 PolarHBondContact O-N 3.31Å; Q115-I127 HydrophobicContact CG-CD1 4.22Å; Q115-I127 HydrophobicContact CG-CG1 4.33Å
116E82.1Confident79.3Confident159 Ų15991.7 Ų91.774%0.74346%0.464SS*.Hα-helixtrans-63.9-30.9171.7-72174.9-17900112.4A112 K113A112-E116 WeakPolarHBondContact O-CG 3.34Å; A112-E116 PolarHBondContact O-N 2.9Å; K113-E116 PolarHBondContact O-N 3.26Å
117L79Confident78.7Confident59 Ų5987.4 Ų87.431%0.30944%0.444SS..THydrogen-bonded Turntrans-92.46.9179.9-64.1173.5000113.5K113 A114 Q115 L119 K120 E123K113-L117 HydrophobicContact CG-CD1 4.33Å; K113-L117 WeakPolarHBondContact O-CG 3.28Å; K113-L117 PolarHBondContact O-N 2.87Å; A114-L117 CarbonylContact O-C 3.46Å; A114-L117 PolarHBondContact O-N 3.42Å; Q115-L117 PolarHBondContact O-N 3.41Å; L117-L119 PolarHBondContact O-N 3.23Å; L117-K120 PolarHBondContact O-N 3.18Å; L117-E123 HydrophobicContact CB-CG 4.35Å
118F68.4Low78.3Confident118 Ų11889.1 Ų89.152%0.51845%0.453SS..THydrogen-bonded Turntrans-50.5-24.7-170.8-177.1-104.4000115.5A114 Q115 K120 Q124 I127A114-F118 PolarHBondContact O-N 2.84Å; A114-F118 VanDerWaalsContact O-N 3.14Å; Q115-F118 WeakPolarHBondContact O-CB 3.36Å; Q115-F118 PolarHBondContact O-N 3.31Å; F118-K120 PolarHBondContact O-N 3.22Å; F118-Q124 VanDerWaalsContact CE2-OE1 3.24Å; F118-I127 HydrophobicContact CD2-CD1 3.44Å; F118-I127 VanDerWaalsContact CD2-CD1 3.44Å; F118-I127 HydrophobicContact CE2-CD1 4.07Å; F118-I127 HydrophobicContact CG-CD1 4.49Å
119L62.3Low78Confident169 Ų16988.4 Ų88.489%0.88545%0.448SS*.THydrogen-bonded Turntrans-71.8-3.4178.2-68.3157.6000113.8L117L117-L119 PolarHBondContact O-N 3.23Å
120K70.4Confident77.7Confident118 Ų11881.9 Ų81.951%0.51342%0.42SS..SBendtrans-95.1135178.8-66.3-178.1-177.9178.60112.1L117 F118 G122 E123L117-K120 PolarHBondContact O-N 3.18Å; F118-K120 PolarHBondContact O-N 3.22Å; K120-G122 PolarHBondContact O-N 3.14Å; K120-E123 HydrophobicContact CB-CG 3.84Å; K120-E123 PolarHBondContact O-N 3.02Å
121P63.6Low77.4Confident135 Ų13580.1 Ų80.188%0.87741%0.414SS*.THydrogen-bonded Turntrans-57.2131.4172.3-20.630.7000111.4
122G67Low77.4Confident50 Ų5083 Ų8352%0.51543%0.425SS..THydrogen-bonded Turntrans97-12.8179.900000115.5K120 Q124 E125K120-G122 PolarHBondContact O-N 3.14Å; G122-Q124 VanDerWaalsContact C-N 3.33Å; G122-Q124 PolarHBondContact O-N 2.78Å; G122-E125 PolarHBondContact O-N 3.03Å
123E76.4Confident77.4Confident37 Ų3786.6 Ų86.617%0.17343%0.43CS..Hα-helixtrans-74.6-20.8179.8-67.4-62.3166.300113.7L117 K120 E125 N126 I127L117-E123 HydrophobicContact CB-CG 4.35Å; K120-E123 HydrophobicContact CB-CG 3.84Å; K120-E123 PolarHBondContact O-N 3.02Å; E123-E125 VanDerWaalsContact C-N 3.3Å; E123-E125 PolarHBondContact O-N 2.81Å; E123-N126 WeakPolarHBondContact O-CB 3.41Å; E123-N126 PolarHBondContact O-N 2.98Å; E123-N126 VanDerWaalsContact O-N 3.16Å; E123-N126 PolarHBondContact OE2-ND2 3.29Å; E123-I127 WeakPolarHBondContact O-CG1 3.45Å; E123-I127 PolarHBondContact O-N 3.18Å
124Q73.4Confident77.3Confident93 Ų9382.6 Ų82.644%0.43541%0.414SS..Hα-helixtrans-59-40.4173.8-174.364.850.900112F118 G122 N126 I127 D128F118-Q124 VanDerWaalsContact CE2-OE1 3.24Å; G122-Q124 VanDerWaalsContact C-N 3.33Å; G122-Q124 PolarHBondContact O-N 2.78Å; Q124-N126 VanDerWaalsContact C-N 3.32Å; Q124-N126 PolarHBondContact O-N 3.41Å; Q124-I127 PolarHBondContact O-N 3.07Å; Q124-D128 PolarHBondContact NE2-OD1 2.77Å; Q124-D128 WeakPolarHBondContact O-CB 3.4Å; Q124-D128 PolarHBondContact O-N 2.85Å
125E77.9Confident77.5Confident153 Ų15383.4 Ų83.472%0.71542%0.419SS*.Hα-helixtrans-66.4-36.4178-67.2-172.7173.600111.8G122 E123 K129G122-E125 PolarHBondContact O-N 3.03Å; E123-E125 VanDerWaalsContact C-N 3.3Å; E123-E125 PolarHBondContact O-N 2.81Å; E125-K129 WeakPolarHBondContact O-CB 3.28Å; E125-K129 PolarHBondContact O-N 3.4Å
126N77.3Confident77.8Confident56 Ų5684.2 Ų84.230%0.29942%0.42SS..Hα-helixtrans-66.4-44.1175.1-74.4-29.1000111.1E123 Q124 K129 F130E123-N126 WeakPolarHBondContact O-CB 3.41Å; E123-N126 PolarHBondContact O-N 2.98Å; E123-N126 VanDerWaalsContact O-N 3.16Å; E123-N126 PolarHBondContact OE2-ND2 3.29Å; Q124-N126 VanDerWaalsContact C-N 3.32Å; Q124-N126 PolarHBondContact O-N 3.41Å; N126-K129 WeakPolarHBondContact O-CB 3.45Å; N126-K129 PolarHBondContact O-N 2.89Å; N126-F130 HydrophobicContact CB-CD2 4.27Å; N126-F130 HydrophobicContact CB-CE2 3.95Å; N126-F130 WeakPolarHBondContact O-CD2 3.5Å; N126-F130 WeakPolarHBondContact O-CG 3.35Å; N126-F130 PolarHBondContact O-N 3.31Å
127I79.1Confident78.3Confident18 Ų1878.3 Ų78.39%0.09240%0.395CS..Hα-helixtrans-60.4-46.9176-72168000110.8L111 A114 Q115 F118 E123 Q124 K129 F130 S131L111-I127 HydrophobicContact CD1-CB 4.23Å; L111-I127 HydrophobicContact CD1-CG1 4.28Å; L111-I127 HydrophobicContact CD1-CG2 3.94Å; A114-I127 HydrophobicContact CB-CG1 3.77Å; Q115-I127 HydrophobicContact CG-CD1 4.22Å; Q115-I127 HydrophobicContact CG-CG1 4.33Å; F118-I127 HydrophobicContact CD2-CD1 3.44Å; F118-I127 VanDerWaalsContact CD2-CD1 3.44Å; F118-I127 HydrophobicContact CE2-CD1 4.07Å; F118-I127 HydrophobicContact CG-CD1 4.49Å; E123-I127 WeakPolarHBondContact O-CG1 3.45Å; E123-I127 PolarHBondContact O-N 3.18Å; Q124-I127 PolarHBondContact O-N 3.07Å; I127-K129 VanDerWaalsContact C-N 3.29Å; I127-K129 PolarHBondContact O-N 3.14Å; I127-F130 PolarHBondContact O-N 3.23Å; I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.2Å; I127-S131 PolarHBondContact O-N 3.19Å; I127-S131 PolarHBondContact O-OG 3.03Å
128D78.9Confident78.9Confident38 Ų3878.3 Ų78.320%0.20340%0.398CS..Hα-helixtrans-60.9-39.3175.8-81.219.7000111.9Q124 S131 K132Q124-D128 PolarHBondContact NE2-OD1 2.77Å; Q124-D128 WeakPolarHBondContact O-CB 3.4Å; Q124-D128 PolarHBondContact O-N 2.85Å; D128-S131 WeakPolarHBondContact CA-OG 3.28Å; D128-S131 PolarHBondContact O-OG 2.81Å; D128-K132 WeakPolarHBondContact O-CB 3.32Å; D128-K132 WeakPolarHBondContact O-CD 3.39Å; D128-K132 WeakPolarHBondContact O-CG 3.15Å; D128-K132 PolarHBondContact O-N 2.73Å
129K82.8Confident80.2Confident107 Ų10780.3 Ų80.347%0.46541%0.406SS..Hα-helixtrans-68.4-46.6178.7179.5-177.5177.4-176.80111.9E125 N126 I127 R133E125-K129 WeakPolarHBondContact O-CB 3.28Å; E125-K129 PolarHBondContact O-N 3.4Å; N126-K129 WeakPolarHBondContact O-CB 3.45Å; N126-K129 PolarHBondContact O-N 2.89Å; I127-K129 VanDerWaalsContact C-N 3.29Å; I127-K129 PolarHBondContact O-N 3.14Å; K129-R133 PolarHBondContact O-N 3.02Å
130F82.9Confident81.7Confident27 Ų2776.9 Ų76.912%0.11839%0.386CS..Hα-helixtrans-72.6-39.4-179.2-63.6-53.9000111.6M110 L111 A114 N126 I127 K132 R133 L134M110-F130 HydrophobicContact CB-CD1 3.89Å; M110-F130 HydrophobicContact CB-CD2 4.09Å; M110-F130 HydrophobicContact CB-CE1 3.77Å; M110-F130 HydrophobicContact CB-CE2 3.96Å; M110-F130 HydrophobicContact CB-CG 4.08Å; M110-F130 HydrophobicContact CB-CZ 3.81Å; M110-F130 HydrophobicContact CG-CE1 4.23Å; M110-F130 HydrophobicContact CG-CZ 4.33Å; M110-F130 HydrophobicContact SD-CD1 4.22Å; M110-F130 HydrophobicContact SD-CE1 3.45Å; M110-F130 WeakPolarHBondContact SD-CE1 3.48Å; M110-F130 HydrophobicContact SD-CZ 3.85Å; L111-F130 HydrophobicContact CB-CB 3.92Å; L111-F130 HydrophobicContact CD1-CB 4.1Å; A114-F130 HydrophobicContact CB-CD2 4.36Å; N126-F130 HydrophobicContact CB-CD2 4.27Å; N126-F130 HydrophobicContact CB-CE2 3.95Å; N126-F130 WeakPolarHBondContact O-CD2 3.5Å; N126-F130 WeakPolarHBondContact O-CG 3.35Å; N126-F130 PolarHBondContact O-N 3.31Å; I127-F130 PolarHBondContact O-N 3.23Å; F130-K132 VanDerWaalsContact C-N 3.31Å; F130-K132 PolarHBondContact O-N 3.13Å; F130-R133 WeakPolarHBondContact O-CB 2.94Å; F130-R133 PolarHBondContact O-N 3.47Å; F130-L134 PolarHBondContact O-N 3.14Å
131S82.3Confident82.9Confident30 Ų3072.4 Ų72.421%0.2137%0.366CS..Hα-helixtrans-59.8-39.3175.165.10000112.4I127 D128 R133 L134I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.2Å; I127-S131 PolarHBondContact O-N 3.19Å; I127-S131 PolarHBondContact O-OG 3.03Å; D128-S131 WeakPolarHBondContact CA-OG 3.28Å; D128-S131 PolarHBondContact O-OG 2.81Å; S131-R133 VanDerWaalsContact C-N 3.26Å; S131-R133 PolarHBondContact O-N 3.04Å; S131-L134 PolarHBondContact O-N 2.89Å; S131-L134 VanDerWaalsContact O-N 3.17Å
132K84.8Confident84.5Confident80 Ų8067.4 Ų67.435%0.34833%0.332SS..Hα-helixtrans-61.4-32.1173.4-75.3168.2-172.7162.80113I44 D128 F130 L134 V135I44-K132 HydrophobicContact CG2-CB 4.39Å; I44-K132 HydrophobicContact CG2-CD 4.29Å; I44-K132 HydrophobicContact CG2-CG 4.13Å; D128-K132 WeakPolarHBondContact O-CB 3.32Å; D128-K132 WeakPolarHBondContact O-CD 3.39Å; D128-K132 WeakPolarHBondContact O-CG 3.15Å; D128-K132 PolarHBondContact O-N 2.73Å; F130-K132 VanDerWaalsContact C-N 3.31Å; F130-K132 PolarHBondContact O-N 3.13Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-V135 WeakPolarHBondContact O-CG2 2.92Å
133R85.1Confident86Confident120 Ų12067.8 Ų67.845%0.45332%0.323SS..Hα-helixtrans-73.5-23.4177.5-67.5174.8178.4-169.6-4.8113R104 A107 K129 F130 S131 V135R104-R133 WeakPolarHBondContact CG-O 3.49Å; A107-R133 HydrophobicContact CB-CB 3.87Å; K129-R133 PolarHBondContact O-N 3.02Å; F130-R133 WeakPolarHBondContact O-CB 2.94Å; F130-R133 PolarHBondContact O-N 3.47Å; S131-R133 VanDerWaalsContact C-N 3.26Å; S131-R133 PolarHBondContact O-N 3.04Å; R133-V135 VanDerWaalsContact C-N 3.32Å
134L84.6Confident87Confident52 Ų5266.5 Ų66.527%0.27232%0.317SS..Hα-helixtrans-81.1-12.4178.5-62.9-177.8000113.7R104 A107 E108 L111 F130 S131 K132 K136R104-L134 HydrophobicContact CB-CD2 4.45Å; R104-L134 VanDerWaalsContact O-CD2 3.25Å; R104-L134 WeakPolarHBondContact O-CD2 3.36Å; A107-L134 HydrophobicContact CB-CD2 3.98Å; E108-L134 HydrophobicContact CB-CD1 4.43Å; E108-L134 HydrophobicContact CB-CD2 3.87Å; L111-L134 HydrophobicContact CB-CD1 4.45Å; L111-L134 HydrophobicContact CD2-CD1 3.42Å; L111-L134 VanDerWaalsContact CD2-CD1 3.42Å; F130-L134 PolarHBondContact O-N 3.14Å; S131-L134 PolarHBondContact O-N 2.89Å; S131-L134 VanDerWaalsContact O-N 3.17Å; K132-L134 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.25Å
135V87.2Confident88.2Confident22 Ų2262 Ų6213%0.13330%0.296CS..  trans-57.4125.6179.8175.20000110.3Y40 L43 I44 K132 R133Y40-V135 HydrophobicContact CD2-CG1 4.45Å; Y40-V135 HydrophobicContact CE2-CG1 4.44Å; L43-V135 HydrophobicContact CB-CG1 3.42Å; L43-V135 VanDerWaalsContact CB-CG1 3.42Å; L43-V135 HydrophobicContact CD1-CG1 4.06Å; L43-V135 HydrophobicContact CG-CG1 4.38Å; I44-V135 HydrophobicContact CG1-CB 4.04Å; I44-V135 HydrophobicContact CG1-CG1 4.05Å; I44-V135 HydrophobicContact CG1-CG2 4.06Å; K132-V135 WeakPolarHBondContact O-CG2 2.92Å; R133-V135 VanDerWaalsContact C-N 3.32Å
136K88.9Confident89.2Confident127 Ų12756.1 Ų56.155%0.55227%0.268SS*.  trans-129.1135.6175.1-168.2-163.8-179.6-178.30109L134L134-K136 PolarHBondContact O-N 3.25Å
137V91.6Very high90.2Very high36 Ų3657.4 Ų57.422%0.21827%0.271CS..  trans-74.5131.7168.9-175.20000108.6I39 Y40 L43 H141I39-V137 HydrophobicContact CB-CG1 4.45Å; I39-V137 HydrophobicContact CB-CG2 4.48Å; I39-V137 HydrophobicContact CG2-CG1 3.75Å; I39-V137 HydrophobicContact CG2-CG2 4Å; Y40-V137 HydrophobicContact CD2-CG2 4.22Å; L43-V137 HydrophobicContact CD1-CG2 4.07Å; V137-H141 HydrophobicContact CG1-CB 4.3Å
138T92.8Very high91.1Very high58 Ų5856.6 Ų56.636%0.35627%0.267SS..  trans-108164.5178.267.10000109.8Q140 H141 N142T138-Q140 PolarHBondContact O-N 3.43Å; T138-H141 PolarHBondContact N-ND1 3.13Å; T138-H141 PolarHBondContact O-N 3.44Å; T138-H141 PolarHBondContact OG1-CD2 3.06Å; T138-H141 VanDerWaalsContact OG1-CG 3.28Å; T138-H141 PolarHBondContact OG1-N 3.24Å; T138-H141 PolarHBondContact OG1-ND1 3.32Å; T138-N142 PolarHBondContact O-N 2.73Å
139K94.3Very high92.1Very high160 Ų16054.8 Ų54.870%0.69626%0.257SS*.Hα-helixtrans-58.2-39.8172.8-170.9-175173.1-173.60111.4H141 N142 D143K139-H141 VanDerWaalsContact C-N 3.33Å; K139-H141 PolarHBondContact O-N 2.89Å; K139-N142 WeakPolarHBondContact O-CB 3.48Å; K139-N142 PolarHBondContact O-N 3.34Å; K139-D143 PolarHBondContact O-N 3.22Å
140Q94.6Very high92.8Very high98 Ų9853.6 Ų53.646%0.45826%0.259SS..Hα-helixtrans-59.2-41.7177.6-170.260.745.100112.3T138 N142 D143 D144T138-Q140 PolarHBondContact O-N 3.43Å; Q140-N142 VanDerWaalsContact C-N 3.25Å; Q140-N142 PolarHBondContact O-N 3.07Å; Q140-D143 PolarHBondContact O-N 3.5Å; Q140-D144 PolarHBondContact NE2-OD1 3.41Å; Q140-D144 VanDerWaalsContact O-CB 3.28Å; Q140-D144 WeakPolarHBondContact O-CB 3.32Å; Q140-D144 VanDerWaalsContact O-CG 3.27Å; Q140-D144 PolarHBondContact O-N 3.48Å
141H96.3Very high93.5Very high23 Ų2353.6 Ų53.611%0.10626%0.26CS..Hα-helixtrans-61.8-35.8176.4-59.6156.6000112.3I39 L43 H63 V137 T138 K139 C145I39-H141 HydrophobicContact CG2-CB 4.08Å; L43-H141 WeakPolarHBondContact CD1-ND1 3.43Å; H63-H141 PolarHBondContact CD2-O 3.12Å; H63-H141 AromaticContact CE1-CD2 3.36Å; H63-H141 PolarHBondContact CE1-CD2 3.11Å; H63-H141 AromaticContact ND1-CD2 3.67Å; H63-H141 AromaticContact NE2-CD2 3.79Å; V137-H141 HydrophobicContact CG1-CB 4.3Å; T138-H141 PolarHBondContact N-ND1 3.13Å; T138-H141 PolarHBondContact O-N 3.44Å; T138-H141 PolarHBondContact OG1-CD2 3.06Å; T138-H141 VanDerWaalsContact OG1-CG 3.28Å; T138-H141 PolarHBondContact OG1-N 3.24Å; T138-H141 PolarHBondContact OG1-ND1 3.32Å; K139-H141 VanDerWaalsContact C-N 3.33Å; K139-H141 PolarHBondContact O-N 2.89Å; H141-C145 WeakPolarHBondContact O-CB 3.45Å; H141-C145 PolarHBondContact O-N 3.39Å; H141-C145 VanDerWaalsContact O-N 3.12Å; H141-C145 PolarHBondContact O-SG 2.88Å
142N97.2Very high94.3Very high30 Ų3052.2 Ų52.216%0.1625%0.25CS..Hα-helixtrans-68.6-47.1175.4-69.1-25.7000111I39 F85 T138 K139 Q140 D144 C145 K146I39-N142 VanDerWaalsContact CD1-OD1 3.28Å; I39-N142 WeakPolarHBondContact CD1-OD1 3.5Å; F85-N142 HydrophobicContact CD1-CB 4.14Å; F85-N142 HydrophobicContact CE1-CB 4.23Å; T138-N142 PolarHBondContact O-N 2.73Å; K139-N142 WeakPolarHBondContact O-CB 3.48Å; K139-N142 PolarHBondContact O-N 3.34Å; Q140-N142 VanDerWaalsContact C-N 3.25Å; Q140-N142 PolarHBondContact O-N 3.07Å; N142-D144 PolarHBondContact O-N 3.39Å; N142-C145 PolarHBondContact O-N 3.12Å; N142-K146 VanDerWaalsContact O-CG 3.28Å; N142-K146 WeakPolarHBondContact O-CG 3.45Å; N142-K146 PolarHBondContact O-N 2.64Å
143D97.7Very high94.9Very high59 Ų5948.8 Ų48.832%0.31624%0.238SC..Hα-helixtrans-64.1-42-178.5-64.7-18.5000111.2K139 Q140 C145 K146 K147K139-D143 PolarHBondContact O-N 3.22Å; Q140-D143 PolarHBondContact O-N 3.5Å; D143-C145 PolarHBondContact O-N 3.4Å; D143-K146 PolarHBondContact O-N 3.44Å; D143-K147 WeakPolarHBondContact O-CB 3.17Å; D143-K147 PolarHBondContact O-N 3.28Å
144D97.6Very high95.5Very high9 Ų943.3 Ų43.35%0.04822%0.218CC..Hα-helixtrans-58-47.5172.1-79.9-3.1000112H63 L64 Q140 N142 K147 L148 F313 K318H63-D144 IonicContact CE1-OD2 3.57Å; H63-D144 WeakPolarHBondContact NE2-CB 3.3Å; H63-D144 IonicContact NE2-OD2 3.29Å; H63-D144 PolarHBondContact NE2-OD2 3.34Å; L64-D144 HydrophobicContact CD2-CB 3.96Å; L64-D144 HydrophobicContact CG-CB 4.38Å; Q140-D144 PolarHBondContact NE2-OD1 3.41Å; Q140-D144 VanDerWaalsContact O-CB 3.28Å; Q140-D144 WeakPolarHBondContact O-CB 3.32Å; Q140-D144 VanDerWaalsContact O-CG 3.27Å; Q140-D144 PolarHBondContact O-N 3.48Å; N142-D144 PolarHBondContact O-N 3.39Å; D144-K147 PolarHBondContact O-N 2.81Å; D144-L148 WeakPolarHBondContact O-CB 3.13Å; D144-L148 PolarHBondContact O-N 3.33Å; D144-F313 HydrophobicContact CB-CZ 4.42Å; D144-K318 IonicContact OD1-NZ 2.7Å; D144-K318 IonicContact OD2-NZ 2.64Å; D144-K318 PolarHBondContact OD2-NZ 3.33Å
145C98.4Very high96.1Very high0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-65.2-39.7177.7-790000112.2I39 M67 F85 H141 N142 D143 L148 L149I39-C145 HydrophobicContact CD1-CB 4.04Å; M67-C145 HydrophobicContact CE-CB 4Å; F85-C145 HydrophobicContact CE1-CB 4.11Å; F85-C145 HydrophobicContact CZ-CB 3.98Å; H141-C145 WeakPolarHBondContact O-CB 3.45Å; H141-C145 PolarHBondContact O-N 3.39Å; H141-C145 VanDerWaalsContact O-N 3.12Å; H141-C145 PolarHBondContact O-SG 2.88Å; N142-C145 PolarHBondContact O-N 3.12Å; D143-C145 PolarHBondContact O-N 3.4Å; C145-L148 WeakPolarHBondContact O-CB 3.48Å; C145-L148 PolarHBondContact O-N 3.33Å; C145-L149 WeakPolarHBondContact O-CB 3.21Å; C145-L149 VanDerWaalsContact O-CG 3.24Å; C145-L149 WeakPolarHBondContact O-CG 3.21Å; C145-L149 PolarHBondContact O-N 3.31Å
146K98.6Very high96.7Very high29 Ų2944.6 Ų44.613%0.12622%0.22CC..Hα-helixtrans-64.7-43.4176.4-71.8170.6-173175.30111.4F85 N142 D143 L149 T150 Y156 E158F85-K146 HydrophobicContact CD1-CG 4.47Å; F85-K146 HydrophobicContact CD2-CG 4.16Å; F85-K146 HydrophobicContact CE1-CG 4.02Å; F85-K146 HydrophobicContact CE2-CG 3.7Å; F85-K146 HydrophobicContact CZ-CG 3.63Å; N142-K146 VanDerWaalsContact O-CG 3.28Å; N142-K146 WeakPolarHBondContact O-CG 3.45Å; N142-K146 PolarHBondContact O-N 2.64Å; D143-K146 PolarHBondContact O-N 3.44Å; K146-L149 PolarHBondContact O-N 3.43Å; K146-T150 WeakPolarHBondContact O-CB 3.28Å; K146-T150 PolarHBondContact O-N 2.89Å; K146-T150 PolarHBondContact O-OG1 3.18Å; K146-Y156 HydrophobicContact CB-CE1 3.96Å; K146-Y156 HydrophobicContact CB-CE2 4.23Å; K146-Y156 HydrophobicContact CD-CD2 4.47Å; K146-Y156 HydrophobicContact CD-CE2 3.88Å; K146-Y156 HydrophobicContact CG-CD2 4.04Å; K146-Y156 HydrophobicContact CG-CE1 4.26Å; K146-Y156 HydrophobicContact CG-CE2 3.75Å; K146-Y156 HydrophobicContact CG-CG 4.43Å; K146-E158 VanDerWaalsContact CE-OE1 3.25Å; K146-E158 WeakPolarHBondContact CE-OE1 3.39Å; K146-E158 IonicContact NZ-OE1 3.01Å; K146-E158 PolarHBondContact NZ-OE1 3.21Å
147K98.5Very high97.1Very high83 Ų8339.4 Ų39.436%0.36120%0.198SC..Hα-helixtrans-57.4-51.9172.1-175.9174.5173-172.90109.6D143 D144 L149 T150 L151 F313 E317D143-K147 WeakPolarHBondContact O-CB 3.17Å; D143-K147 PolarHBondContact O-N 3.28Å; D144-K147 PolarHBondContact O-N 2.81Å; K147-L149 PolarHBondContact O-N 3.26Å; K147-T150 WeakPolarHBondContact O-CB 3.48Å; K147-T150 PolarHBondContact O-N 2.98Å; K147-L151 HydrophobicContact CG-CD1 4.14Å; K147-L151 VanDerWaalsContact O-CG 3.27Å; K147-L151 WeakPolarHBondContact O-CG 3.47Å; K147-L151 PolarHBondContact O-N 2.85Å; K147-F313 HydrophobicContact CB-CE1 4.32Å; K147-F313 HydrophobicContact CB-CZ 4.34Å; K147-F313 HydrophobicContact CD-CD1 4.35Å; K147-F313 HydrophobicContact CD-CD2 3.78Å; K147-F313 HydrophobicContact CD-CE1 4.26Å; K147-F313 HydrophobicContact CD-CE2 3.67Å; K147-F313 HydrophobicContact CD-CG 4.12Å; K147-F313 HydrophobicContact CD-CZ 3.92Å; K147-F313 VanDerWaalsContact CE-CD2 3.41Å; K147-F313 HydrophobicContact CG-CD1 4.26Å; K147-F313 HydrophobicContact CG-CE1 4.16Å; K147-F313 HydrophobicContact CG-CE2 4.46Å; K147-F313 HydrophobicContact CG-CG 4.45Å; K147-F313 HydrophobicContact CG-CZ 4.25Å; K147-F313 VanDerWaalsContact NZ-CD2 3.27Å; K147-E317 VanDerWaalsContact NZ-CD 3.34Å; K147-E317 IonicContact NZ-OE1 2.73Å; K147-E317 PolarHBondContact NZ-OE1 3.44Å; K147-E317 IonicContact NZ-OE2 3.3Å; K147-E317 PolarHBondContact NZ-OE2 3.21Å
148L98.6Very high97.4Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-54.8-52.2177.5179.160000112.7L64 M67 F68 D144 C145 T150 L151 M152 L310 F313 M314L64-L148 HydrophobicContact CB-CD2 4.47Å; L64-L148 HydrophobicContact CD2-CB 3.97Å; L64-L148 HydrophobicContact CD2-CD2 3.82Å; L64-L148 HydrophobicContact CD2-CG 4.45Å; L64-L148 WeakPolarHBondContact O-CD2 3.34Å; M67-L148 HydrophobicContact CB-CD2 3.93Å; M67-L148 HydrophobicContact CG-CD2 4.1Å; F68-L148 HydrophobicContact CB-CD2 4.08Å; F68-L148 HydrophobicContact CD2-CD1 4.09Å; D144-L148 WeakPolarHBondContact O-CB 3.13Å; D144-L148 PolarHBondContact O-N 3.33Å; C145-L148 WeakPolarHBondContact O-CB 3.48Å; C145-L148 PolarHBondContact O-N 3.33Å; L148-T150 VanDerWaalsContact C-N 3.3Å; L148-T150 PolarHBondContact O-N 3.49Å; L148-L151 PolarHBondContact O-N 2.76Å; L148-M152 HydrophobicContact CD1-CG 4.05Å; L148-M152 HydrophobicContact CD1-SD 3.96Å; L148-M152 HydrophobicContact CD2-SD 4.36Å; L148-M152 HydrophobicContact CG-CG 4.32Å; L148-M152 HydrophobicContact CG-SD 3.81Å; L148-M152 VanDerWaalsContact O-CG 3.25Å; L148-M152 WeakPolarHBondContact O-CG 3.17Å; L148-M152 PolarHBondContact O-N 2.96Å; L148-L310 HydrophobicContact CD1-CD2 3.71Å; L148-F313 HydrophobicContact CB-CE1 4.12Å; L148-M314 HydrophobicContact CD1-CG 4.21Å; L148-M314 HydrophobicContact CD1-SD 3.8Å
149L98.5Very high97.6Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-61.3-39.7-178.1-71.2171.2000112.2M67 Y83 F85 C145 K146 K147 M152 G153 V154 Y156M67-L149 HydrophobicContact CG-CD2 4.05Å; M67-L149 HydrophobicContact CG-CG 4.29Å; M67-L149 HydrophobicContact SD-CD1 4.47Å; M67-L149 HydrophobicContact SD-CD2 4.16Å; Y83-L149 HydrophobicContact CD2-CD1 3.71Å; Y83-L149 HydrophobicContact CD2-CD2 3.53Å; Y83-L149 HydrophobicContact CD2-CG 4.29Å; Y83-L149 HydrophobicContact CE2-CD1 4.49Å; Y83-L149 HydrophobicContact CE2-CD2 3.61Å; Y83-L149 HydrophobicContact CG-CD1 3.73Å; Y83-L149 HydrophobicContact CG-CD2 4.34Å; F85-L149 HydrophobicContact CE2-CD1 3.92Å; F85-L149 HydrophobicContact CZ-CD1 3.97Å; C145-L149 WeakPolarHBondContact O-CB 3.21Å; C145-L149 VanDerWaalsContact O-CG 3.24Å; C145-L149 WeakPolarHBondContact O-CG 3.21Å; C145-L149 PolarHBondContact O-N 3.31Å; K146-L149 PolarHBondContact O-N 3.43Å; K147-L149 PolarHBondContact O-N 3.26Å; L149-M152 PolarHBondContact O-N 3.04Å; L149-G153 PolarHBondContact O-N 3.2Å; L149-G153 VanDerWaalsContact O-N 3.13Å; L149-V154 CarbonylContact C-O 3.55Å; L149-V154 HydrophobicContact CD2-CB 4.12Å; L149-V154 HydrophobicContact CD2-CG1 4.05Å; L149-V154 PolarHBondContact O-N 3.32Å; L149-Y156 HydrophobicContact CB-CD1 4.3Å
150T98.4Very high97.7Very high83 Ų8334.9 Ų34.951%0.50918%0.177SC..Hα-helixtrans-57.8-50.3174.1-56.90000110.8K146 K147 L148 M152 G153 Y156K146-T150 WeakPolarHBondContact O-CB 3.28Å; K146-T150 PolarHBondContact O-N 2.89Å; K146-T150 PolarHBondContact O-OG1 3.18Å; K147-T150 WeakPolarHBondContact O-CB 3.48Å; K147-T150 PolarHBondContact O-N 2.98Å; L148-T150 VanDerWaalsContact C-N 3.3Å; L148-T150 PolarHBondContact O-N 3.49Å; T150-M152 VanDerWaalsContact C-N 3.3Å; T150-M152 PolarHBondContact O-N 3.4Å; T150-G153 PolarHBondContact O-N 3.18Å; T150-Y156 WeakPolarHBondContact OG1-CE1 3.34Å
151L98.3Very high97.7Very high26 Ų2630.6 Ų30.614%0.13616%0.158CC..Hα-helixtrans-67.7-29.7-179.7-62.2179000112.4K147 L148 G153 P305 D306 A309 L310 F313K147-L151 HydrophobicContact CG-CD1 4.14Å; K147-L151 VanDerWaalsContact O-CG 3.27Å; K147-L151 WeakPolarHBondContact O-CG 3.47Å; K147-L151 PolarHBondContact O-N 2.85Å; L148-L151 PolarHBondContact O-N 2.76Å; L151-G153 PolarHBondContact O-N 2.85Å; L151-P305 CarbonylContact O-C 3.22Å; L151-P305 VanDerWaalsContact O-CA 3.26Å; L151-P305 WeakPolarHBondContact O-CA 3.13Å; L151-D306 HydrophobicContact CD2-CB 4.5Å; L151-D306 PolarHBondContact O-N 3.13Å; L151-A309 HydrophobicContact CD1-CB 4.49Å; L151-A309 HydrophobicContact CD2-CB 3.61Å; L151-L310 HydrophobicContact CB-CD2 3.44Å; L151-L310 VanDerWaalsContact CB-CD2 3.44Å; L151-L310 HydrophobicContact CB-CG 3.68Å; L151-L310 HydrophobicContact CD1-CD2 4.31Å; L151-F313 HydrophobicContact CD1-CB 3.82Å; L151-F313 HydrophobicContact CD1-CD1 3.97Å; L151-F313 HydrophobicContact CD1-CG 4.17Å
152M98.1Very high97.7Very high1 Ų129.9 Ų29.91%0.00516%0.155CC..THydrogen-bonded Turntrans-75-8.5171.3-66.5178.380.800113.6F68 T71 I72 L148 L149 T150 V154 L310 I332F68-M152 HydrophobicContact CD2-CE 3.67Å; F68-M152 HydrophobicContact CD2-CG 4.32Å; F68-M152 HydrophobicContact CD2-SD 3.77Å; F68-M152 HydrophobicContact CE2-CE 4.14Å; F68-M152 HydrophobicContact CE2-SD 4.48Å; F68-M152 HydrophobicContact CG-CE 4.46Å; T71-M152 HydrophobicContact CG2-CE 3.75Å; T71-M152 HydrophobicContact CG2-SD 4.39Å; I72-M152 HydrophobicContact CD1-CE 4.47Å; I72-M152 HydrophobicContact CG1-CE 3.91Å; L148-M152 HydrophobicContact CD1-CG 4.05Å; L148-M152 HydrophobicContact CD1-SD 3.96Å; L148-M152 HydrophobicContact CD2-SD 4.36Å; L148-M152 HydrophobicContact CG-CG 4.32Å; L148-M152 HydrophobicContact CG-SD 3.81Å; L148-M152 VanDerWaalsContact O-CG 3.25Å; L148-M152 WeakPolarHBondContact O-CG 3.17Å; L148-M152 PolarHBondContact O-N 2.96Å; L149-M152 PolarHBondContact O-N 3.04Å; T150-M152 VanDerWaalsContact C-N 3.3Å; T150-M152 PolarHBondContact O-N 3.4Å; M152-V154 VanDerWaalsContact C-N 3.34Å; M152-V154 HydrophobicContact CB-CG2 4.19Å; M152-L310 HydrophobicContact CG-CD1 4.33Å; M152-L310 HydrophobicContact CG-CD2 4.01Å; M152-I332 HydrophobicContact CE-CD1 3.66Å; M152-I332 HydrophobicContact CG-CD1 4.39Å
153G97.1Very high97.7Very high9 Ų928.5 Ų28.59%0.09315%0.148CC..THydrogen-bonded Turntrans71.325.9-175.400000113.8L149 T150 L151 W302 R303L149-G153 PolarHBondContact O-N 3.2Å; L149-G153 VanDerWaalsContact O-N 3.13Å; T150-G153 PolarHBondContact O-N 3.18Å; L151-G153 PolarHBondContact O-N 2.85Å; G153-W302 CarbonylContact O-C 3.51Å; G153-W302 VanDerWaalsContact O-CA 3.31Å; G153-W302 WeakPolarHBondContact O-CA 3.43Å; G153-R303 WeakPolarHBondContact CA-O 3.42Å; G153-R303 PolarHBondContact O-N 2.89Å
154V98.1Very high97.6Very high5 Ų526 Ų263%0.0313%0.134CC..  trans-104.6126.8179.7177.30000109.6T71 L75 P81 Y83 L149 M152T71-V154 HydrophobicContact CG2-CB 4.47Å; T71-V154 HydrophobicContact CG2-CG1 4.37Å; T71-V154 HydrophobicContact CG2-CG2 3.74Å; L75-V154 HydrophobicContact CD1-CG2 4.13Å; P81-V154 HydrophobicContact CG-CG1 4.1Å; P81-V154 WeakPolarHBondContact O-CG1 3.32Å; Y83-V154 HydrophobicContact CD2-CG1 4.12Å; Y83-V154 HydrophobicContact CE2-CG1 4.34Å; L149-V154 CarbonylContact C-O 3.55Å; L149-V154 HydrophobicContact CD2-CB 4.12Å; L149-V154 HydrophobicContact CD2-CG1 4.05Å; L149-V154 PolarHBondContact O-N 3.32Å; M152-V154 VanDerWaalsContact C-N 3.34Å; M152-V154 HydrophobicContact CB-CG2 4.19Å
155P98.1Very high97.6Very high20 Ų2025.6 Ų25.613%0.1313%0.132CC..  trans-70147.9-178.730.2-34.3000111.4V82 Y83 L300 W302V82-P155 WeakPolarHBondContact CA-O 3.4Å; V82-P155 HydrophobicContact CB-CG 4.26Å; V82-P155 HydrophobicContact CG2-CB 4.41Å; V82-P155 HydrophobicContact CG2-CG 4.31Å; Y83-P155 PolarHBondContact N-O 3.34Å; P155-L300 HydrophobicContact CB-CD2 4.45Å; P155-W302 VanDerWaalsContact CD-CD1 3.49Å; P155-W302 HydrophobicContact CG-CD2 3.97Å; P155-W302 HydrophobicContact CG-CE3 4.42Å; P155-W302 HydrophobicContact CG-CG 4.42Å; P155-W302 HydrophobicContact CG-CH2 4.25Å; P155-W302 HydrophobicContact CG-CZ2 3.77Å
156Y98.4Very high97.5Very high81 Ų8125.6 Ų25.632%0.31813%0.132SC..EExtended strand (participates in β ladder)trans-133.2162.316669.8-92.3000111.1Y83 F85 K146 L149 T150 E158Y83-Y156 CarbonylContact O-C 3.45Å; Y83-Y156 WeakPolarHBondContact O-CA 3.38Å; Y83-Y156 WeakPolarHBondContact O-CB 3.5Å; F85-Y156 AromaticContact CD2-CD2 3.99Å; F85-Y156 HydrophobicContact CD2-CD2 3.99Å; F85-Y156 HydrophobicContact CD2-CG 4.31Å; F85-Y156 HydrophobicContact CE2-CD2 4.05Å; F85-Y156 AromaticContact CE2-CG 3.97Å; F85-Y156 HydrophobicContact CE2-CG 3.97Å; K146-Y156 HydrophobicContact CB-CE1 3.96Å; K146-Y156 HydrophobicContact CB-CE2 4.23Å; K146-Y156 HydrophobicContact CD-CD2 4.47Å; K146-Y156 HydrophobicContact CD-CE2 3.88Å; K146-Y156 HydrophobicContact CG-CD2 4.04Å; K146-Y156 HydrophobicContact CG-CE1 4.26Å; K146-Y156 HydrophobicContact CG-CE2 3.75Å; K146-Y156 HydrophobicContact CG-CG 4.43Å; L149-Y156 HydrophobicContact CB-CD1 4.3Å; T150-Y156 WeakPolarHBondContact OG1-CE1 3.34Å; Y156-E158 HydrophobicContact CE2-CG 4.31Å
157I98.1Very high97.5Very high18 Ų1824.2 Ų24.29%0.09213%0.126CC..EExtended strand (participates in β ladder)trans-128.2146.1177.8-61.9168.8000108V82 Y83 V84 F85 L170 V293 V298 L300V82-I157 HydrophobicContact CG2-CD1 4.02Å; V82-I157 HydrophobicContact CG2-CG1 4.14Å; Y83-I157 PolarHBondContact O-N 3.25Å; V84-I157 WeakPolarHBondContact CA-O 3.45Å; V84-I157 HydrophobicContact CG2-CB 4.39Å; F85-I157 PolarHBondContact N-O 3.1Å; I157-L170 HydrophobicContact CD1-CD1 3.71Å; I157-L170 HydrophobicContact CD1-CD2 4.47Å; I157-V293 HydrophobicContact CG2-CB 4.25Å; I157-V293 HydrophobicContact CG2-CG1 4.39Å; I157-V293 HydrophobicContact CG2-CG2 3.97Å; I157-V298 HydrophobicContact CD1-CG1 3.65Å; I157-V298 HydrophobicContact CD1-CG2 4.17Å; I157-L300 HydrophobicContact CD1-CD2 4.12Å
158E97.3Very high97.5Very high109 Ų10920.3 Ų20.351%0.50911%0.109SC..EExtended strand (participates in β ladder)trans-101.2117.2167-61.4-175.3171.200107.9K146 Y156K146-E158 VanDerWaalsContact CE-OE1 3.25Å; K146-E158 WeakPolarHBondContact CE-OE1 3.39Å; K146-E158 IonicContact NZ-OE1 3.01Å; K146-E158 PolarHBondContact NZ-OE1 3.21Å; Y156-E158 HydrophobicContact CE2-CG 4.31Å
159A97.3Very high97.4Very high5 Ų521 Ų214%0.04112%0.115CC..  trans-70.6148.5173.700000109.5V84 F85 G87 C161 S166V84-A159 HydrophobicContact CG1-CB 4.01Å; F85-A159 WeakPolarHBondContact O-CB 3.45Å; F85-A159 PolarHBondContact O-N 2.91Å; G87-A159 WeakPolarHBondContact CA-O 3.33Å; G87-A159 PolarHBondContact N-O 3.43Å; A159-C161 VanDerWaalsContact C-N 3.27Å; A159-S166 VanDerWaalsContact CB-OG 3.32Å; A159-S166 WeakPolarHBondContact CB-OG 3.17Å
160P96.4Very high97.4Very high44 Ų4421 Ų2129%0.28612%0.115SC..SBendtrans-66.2-35.3171.326.3-33.2000111.7K88 E291 V292K88-P160 PolarHBondContact N-O 2.98Å; K88-P160 VanDerWaalsContact N-O 3.07Å; P160-E291 HydrophobicContact CB-CG 3.84Å; P160-E291 HydrophobicContact CG-CB 4.42Å; P160-E291 HydrophobicContact CG-CG 3.82Å; P160-V292 VanDerWaalsContact CG-C 3.49Å
161C95.4Very high97.4Very high9 Ų917.4 Ų17.46%0.0619%0.093CC..SBendtrans-129.6-119.1178.9-165.30000109.8G87 K88 P90 A159 E291G87-C161 PolarHBondContact N-O 3.26Å; K88-C161 WeakPolarHBondContact O-CA 3.15Å; K88-C161 PolarHBondContact O-SG 3.37Å; P90-C161 WeakPolarHBondContact CD-SG 3.5Å; A159-C161 VanDerWaalsContact C-N 3.27Å; C161-E291 HydrophobicContact CB-CB 4.18Å
162E95.9Very high97.2Very high8 Ų821.6 Ų21.64%0.03711%0.11CC..  trans-74.9138.3-177.7-53.8-82.2-151.500112.3K93 E164 A165 S166 Y238K93-E162 WeakPolarHBondContact CD-OE1 3.31Å; K93-E162 WeakPolarHBondContact CE-OE1 3.31Å; K93-E162 IonicContact NZ-OE1 3.66Å; K93-E162 PolarHBondContact NZ-OE1 2.86Å; K93-E162 IonicContact NZ-OE2 2.64Å; K93-E162 PolarHBondContact NZ-OE2 3.23Å; E162-E164 HydrophobicContact CB-CG 4.33Å; E162-E164 WeakPolarHBondContact CB-OE1 3.47Å; E162-A165 HydrophobicContact CB-CB 4.24Å; E162-A165 PolarHBondContact O-N 3.45Å; E162-S166 PolarHBondContact O-N 2.7Å; E162-Y238 VanDerWaalsContact OE1-CE1 3.29Å; E162-Y238 WeakPolarHBondContact OE1-CE1 3.4Å; E162-Y238 PolarHBondContact OE1-OH 2.86Å
163A97.1Very high97Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-66.9-43-18000000111.9V84 D86 A165 S166 C167V84-A163 HydrophobicContact CB-CB 4.21Å; V84-A163 HydrophobicContact CG1-CB 3.92Å; V84-A163 WeakPolarHBondContact O-CB 3.45Å; D86-A163 WeakPolarHBondContact OD1-CB 3.49Å; D86-A163 PolarHBondContact OD1-N 2.96Å; A163-A165 VanDerWaalsContact C-N 3.26Å; A163-A165 PolarHBondContact O-N 3.26Å; A163-S166 PolarHBondContact O-N 2.87Å; A163-C167 WeakPolarHBondContact O-CB 3.47Å; A163-C167 PolarHBondContact O-N 2.81Å; A163-C167 PolarHBondContact O-SG 3.16Å
164E95.4Very high96.9Very high6 Ų629 Ų293%0.02816%0.159CC..Hα-helixtrans-59.3-36.817958.8-86.8-16900112.3E162 C167 A168 D185 F189E162-E164 HydrophobicContact CB-CG 4.33Å; E162-E164 WeakPolarHBondContact CB-OE1 3.47Å; E164-C167 PolarHBondContact O-N 2.84Å; E164-A168 WeakPolarHBondContact O-CB 3.32Å; E164-A168 PolarHBondContact O-N 3.05Å; E164-D185 WeakPolarHBondContact CG-OD1 3.35Å; E164-F189 HydrophobicContact CB-CD2 4.49Å; E164-F189 HydrophobicContact CG-CD2 3.68Å; E164-F189 HydrophobicContact CG-CE2 3.51Å
165A97.1Very high96.8Very high2 Ų232 Ų322%0.01717%0.172CC..Hα-helixtrans-68.2-45.2177.200000111.1E162 A163 C167 A168 A169 F189 P290 V292E162-A165 HydrophobicContact CB-CB 4.24Å; E162-A165 PolarHBondContact O-N 3.45Å; A163-A165 VanDerWaalsContact C-N 3.26Å; A163-A165 PolarHBondContact O-N 3.26Å; A165-C167 VanDerWaalsContact C-N 3.35Å; A165-A168 WeakPolarHBondContact O-CB 3Å; A165-A168 PolarHBondContact O-N 3.04Å; A165-A169 PolarHBondContact O-N 3.41Å; A165-F189 HydrophobicContact CB-CB 4.35Å; A165-F189 HydrophobicContact CB-CD1 3.68Å; A165-F189 HydrophobicContact CB-CD2 3.88Å; A165-F189 HydrophobicContact CB-CE1 3.84Å; A165-F189 HydrophobicContact CB-CE2 4.04Å; A165-F189 HydrophobicContact CB-CG 3.7Å; A165-F189 HydrophobicContact CB-CZ 4.02Å; A165-P290 HydrophobicContact CB-CB 3.85Å; A165-P290 HydrophobicContact CB-CG 4.24Å; A165-V292 HydrophobicContact CB-CG1 3.81Å; A165-V292 WeakPolarHBondContact O-CG1 3.13Å
166S97.9Very high96.7Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-66.5-36.5175.3-68.60000112.1A159 E162 A163 A169 L170 V293A159-S166 VanDerWaalsContact CB-OG 3.32Å; A159-S166 WeakPolarHBondContact CB-OG 3.17Å; E162-S166 PolarHBondContact O-N 2.7Å; A163-S166 PolarHBondContact O-N 2.87Å; S166-A169 PolarHBondContact O-N 3.09Å; S166-L170 WeakPolarHBondContact O-CG 3.32Å; S166-L170 PolarHBondContact O-N 3.28Å; S166-L170 VanDerWaalsContact O-N 3.11Å; S166-V293 PolarHBondContact OG-N 3.36Å
167C98.3Very high96.7Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-60.8-46171.2-670000111.4A32 V84 A163 E164 A165 A169 L170 V171 T179A32-C167 HydrophobicContact CB-CB 3.9Å; V84-C167 WeakPolarHBondContact CG2-SG 2.95Å; A163-C167 WeakPolarHBondContact O-CB 3.47Å; A163-C167 PolarHBondContact O-N 2.81Å; A163-C167 PolarHBondContact O-SG 3.16Å; E164-C167 PolarHBondContact O-N 2.84Å; A165-C167 VanDerWaalsContact C-N 3.35Å; C167-A169 VanDerWaalsContact C-N 3.31Å; C167-A169 PolarHBondContact O-N 2.68Å; C167-L170 PolarHBondContact O-N 3Å; C167-V171 WeakPolarHBondContact O-CG2 3.35Å; C167-V171 PolarHBondContact O-N 2.8Å; C167-V171 VanDerWaalsContact O-N 3.08Å; C167-T179 HydrophobicContact CB-CG2 3.44Å; C167-T179 VanDerWaalsContact CB-CG2 3.44Å; C167-T179 WeakPolarHBondContact CB-OG1 3.05Å; C167-T179 PolarHBondContact O-OG1 2.76Å
168A97.6Very high96.7Very high0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-60.7-39.9177.800000111.9E164 A165 V171 K172 T179 F189E164-A168 WeakPolarHBondContact O-CB 3.32Å; E164-A168 PolarHBondContact O-N 3.05Å; A165-A168 WeakPolarHBondContact O-CB 3Å; A165-A168 PolarHBondContact O-N 3.04Å; A168-V171 PolarHBondContact O-N 3.23Å; A168-K172 WeakPolarHBondContact O-CG 3.39Å; A168-K172 PolarHBondContact O-N 3.09Å; A168-T179 PolarHBondContact N-OG1 2.85Å; A168-F189 HydrophobicContact CB-CB 3.85Å
169A97.6Very high96.8Very high14 Ų1423.7 Ų23.712%0.11613%0.133CC..Hα-helixtrans-60.2-47.1174.600000112A165 S166 C167 V171 K172 E173 V292A165-A169 PolarHBondContact O-N 3.41Å; S166-A169 PolarHBondContact O-N 3.09Å; C167-A169 VanDerWaalsContact C-N 3.31Å; C167-A169 PolarHBondContact O-N 2.68Å; A169-V171 VanDerWaalsContact C-N 3.26Å; A169-V171 PolarHBondContact O-N 2.79Å; A169-K172 PolarHBondContact O-N 2.79Å; A169-E173 PolarHBondContact O-N 2.95Å; A169-V292 HydrophobicContact CB-CB 4.04Å; A169-V292 HydrophobicContact CB-CG1 4.31Å; A169-V292 HydrophobicContact CB-CG2 3.89Å
170L97.9Very high96.8Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-60.5-34.7176.8-67167.8000112.7A32 V84 I157 S166 C167 G174 K175 V176 V293 S295 V298A32-L170 HydrophobicContact CB-CD1 4.26Å; V84-L170 HydrophobicContact CG2-CD1 4.35Å; I157-L170 HydrophobicContact CD1-CD1 3.71Å; I157-L170 HydrophobicContact CD1-CD2 4.47Å; S166-L170 WeakPolarHBondContact O-CG 3.32Å; S166-L170 PolarHBondContact O-N 3.28Å; S166-L170 VanDerWaalsContact O-N 3.11Å; C167-L170 PolarHBondContact O-N 3Å; L170-G174 PolarHBondContact O-N 2.79Å; L170-K175 HydrophobicContact CB-CB 4.34Å; L170-K175 HydrophobicContact CD2-CB 4.04Å; L170-K175 HydrophobicContact CD2-CG 4.23Å; L170-K175 WeakPolarHBondContact O-CB 3.43Å; L170-K175 PolarHBondContact O-N 2.83Å; L170-V176 HydrophobicContact CB-CG2 3.74Å; L170-V176 PolarHBondContact O-N 3.33Å; L170-V293 HydrophobicContact CD2-CG1 4.43Å; L170-V293 HydrophobicContact CG-CG1 4.41Å; L170-S295 WeakPolarHBondContact CD2-OG 3.07Å; L170-V298 HydrophobicContact CD2-CB 4.26Å; L170-V298 HydrophobicContact CD2-CG1 4.03Å; L170-V298 HydrophobicContact CD2-CG2 4.23Å
171V97.4Very high96.9Very high8 Ų821.8 Ų21.85%0.04812%0.121CC..Hα-helixtrans-69.5-45.8175.2173.30000111.2C167 A168 A169 E173 G174 V176 N192C167-V171 WeakPolarHBondContact O-CG2 3.35Å; C167-V171 PolarHBondContact O-N 2.8Å; C167-V171 VanDerWaalsContact O-N 3.08Å; A168-V171 PolarHBondContact O-N 3.23Å; A169-V171 VanDerWaalsContact C-N 3.26Å; A169-V171 PolarHBondContact O-N 2.79Å; V171-E173 VanDerWaalsContact C-N 3.26Å; V171-E173 PolarHBondContact O-N 2.98Å; V171-G174 PolarHBondContact O-N 2.87Å; V171-V176 HydrophobicContact CB-CG2 4.44Å; V171-V176 HydrophobicContact CG2-CG2 3.59Å; V171-N192 HydrophobicContact CG1-CB 3.88Å
172K94.9Very high96.9Very high114 Ų11422.4 Ų22.450%0.49612%0.123SC..Hα-helixtrans-60.1-38179-74.2178.1-173.71760112A168 A169 G174 F189 G190A168-K172 WeakPolarHBondContact O-CG 3.39Å; A168-K172 PolarHBondContact O-N 3.09Å; A169-K172 PolarHBondContact O-N 2.79Å; K172-G174 VanDerWaalsContact C-N 3.27Å; K172-G174 PolarHBondContact O-N 2.73Å; K172-F189 VanDerWaalsContact CE-O 3.22Å; K172-F189 WeakPolarHBondContact CE-O 3.34Å; K172-F189 PolarHBondContact NZ-O 2.83Å; K172-G190 WeakPolarHBondContact CE-O 3.36Å
173E94.3Very high96.8Very high105 Ų10522.7 Ų22.749%0.49112%0.124SC..THydrogen-bonded Turntrans-831.1177.6-68.4-168.7-153.300114.2A169 V171 K175 S295A169-E173 PolarHBondContact O-N 2.95Å; V171-E173 VanDerWaalsContact C-N 3.26Å; V171-E173 PolarHBondContact O-N 2.98Å; E173-K175 HydrophobicContact CB-CG 4.22Å; E173-K175 PolarHBondContact O-N 2.92Å; E173-S295 VanDerWaalsContact OE1-CB 3.31Å; E173-S295 WeakPolarHBondContact OE1-CB 3.08Å; E173-S295 WeakPolarHBondContact OE2-CB 3.19Å
174G94.1Very high96.7Very high62 Ų6223 Ų2364%0.63913%0.126SC*.THydrogen-bonded Turntrans69.615.6178.100000114.5L170 V171 K172 V176L170-G174 PolarHBondContact O-N 2.79Å; V171-G174 PolarHBondContact O-N 2.87Å; K172-G174 VanDerWaalsContact C-N 3.27Å; K172-G174 PolarHBondContact O-N 2.73Å; G174-V176 VanDerWaalsContact C-N 3.31Å
175K95.8Very high96.6Very high68 Ų6822.8 Ų22.830%0.29613%0.125SC..SBendtrans-69.4-33.5174.8-62-71.9179.3146.70111.3L170 E173 S295L170-K175 HydrophobicContact CB-CB 4.34Å; L170-K175 HydrophobicContact CD2-CB 4.04Å; L170-K175 HydrophobicContact CD2-CG 4.23Å; L170-K175 WeakPolarHBondContact O-CB 3.43Å; L170-K175 PolarHBondContact O-N 2.83Å; E173-K175 HydrophobicContact CB-CG 4.22Å; E173-K175 PolarHBondContact O-N 2.92Å; K175-S295 WeakPolarHBondContact CE-O 3.48Å; K175-S295 PolarHBondContact NZ-O 2.9Å
176V97.3Very high96.6Very high7 Ų722.7 Ų22.74%0.04212%0.124CC..SBendtrans-133.9161.5175.2-57.80000110.3K30 A32 V82 L170 V171 G174 L300K30-V176 HydrophobicContact CB-CB 4.31Å; K30-V176 HydrophobicContact CB-CG1 4.16Å; A32-V176 HydrophobicContact CB-CB 4.47Å; A32-V176 HydrophobicContact CB-CG1 4.34Å; A32-V176 HydrophobicContact CB-CG2 3.83Å; V82-V176 HydrophobicContact CG1-CG1 3.84Å; L170-V176 HydrophobicContact CB-CG2 3.74Å; L170-V176 PolarHBondContact O-N 3.33Å; V171-V176 HydrophobicContact CB-CG2 4.44Å; V171-V176 HydrophobicContact CG2-CG2 3.59Å; G174-V176 VanDerWaalsContact C-N 3.31Å; V176-L300 HydrophobicContact CG1-CD1 3.81Å
177F97.7Very high96.5Very high46 Ų4622.7 Ų22.720%0.20212%0.124CC..SBendtrans-78.2-41.6-177.9166.8-106.4000113.1Y26 R29 K30 V193Y26-F177 HydrophobicContact CD1-CD1 4.5Å; Y26-F177 AromaticContact CD1-CE1 4Å; Y26-F177 HydrophobicContact CD1-CE1 4Å; Y26-F177 AromaticContact CE1-CE1 3.97Å; Y26-F177 HydrophobicContact CE1-CE1 3.97Å; R29-F177 HydrophobicContact CB-CB 4.22Å; R29-F177 HydrophobicContact CB-CD1 4.2Å; R29-F177 HydrophobicContact CB-CG 4.36Å; R29-F177 HydrophobicContact CG-CB 4.46Å; R29-F177 HydrophobicContact CG-CD1 4.03Å; R29-F177 HydrophobicContact CG-CG 4.16Å; K30-F177 WeakPolarHBondContact O-CB 3.13Å; K30-F177 PolarHBondContact O-N 3.39Å; F177-V193 HydrophobicContact CE1-CG1 4.19Å; F177-V193 HydrophobicContact CZ-CG1 4.17Å; F177-V193 HydrophobicContact CZ-CG2 4.49Å
178A98.4Very high96.4Very high0 Ų022.8 Ų22.80%012%0.124CC..EExtended strand (participates in β ladder)trans-152.7159.5-173.500000112.1A32 V193 L195A32-A178 PolarHBondContact N-O 3.19Å; A178-V193 WeakPolarHBondContact CA-O 3.38Å; A178-V193 HydrophobicContact CB-CB 3.79Å; A178-V193 HydrophobicContact CB-CG1 3.69Å; A178-V193 WeakPolarHBondContact CB-O 3.16Å; A178-L195 HydrophobicContact CB-CD1 3.78Å; A178-L195 HydrophobicContact CB-CD2 4.44Å; A178-L195 HydrophobicContact CB-CG 3.73Å
179T98.6Very high96.4Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-91.1127.4167.1-59.60000108.6A32 C167 A168 T181 T191 V193 L194 L195A32-T179 CarbonylContact O-C 3.39Å; A32-T179 WeakPolarHBondContact O-CA 3.42Å; C167-T179 HydrophobicContact CB-CG2 3.44Å; C167-T179 VanDerWaalsContact CB-CG2 3.44Å; C167-T179 WeakPolarHBondContact CB-OG1 3.05Å; C167-T179 PolarHBondContact O-OG1 2.76Å; A168-T179 PolarHBondContact N-OG1 2.85Å; T179-T181 HydrophobicContact CG2-CG2 3.99Å; T179-T191 PolarHBondContact OG1-OG1 3.3Å; T179-V193 PolarHBondContact N-O 3.03Å; T179-L194 CarbonylContact O-C 3.57Å; T179-L194 WeakPolarHBondContact O-CA 3.28Å; T179-L195 PolarHBondContact O-N 3.18Å
180A98.4Very high96.2Very high2 Ų222.5 Ų22.52%0.01712%0.122CC..EExtended strand (participates in β ladder)trans-107.2110.1172.900000110.4I31 A32 I33 D34 L195 L198I31-A180 HydrophobicContact CG2-CB 3.64Å; A32-A180 PolarHBondContact O-N 2.79Å; I33-A180 WeakPolarHBondContact CA-O 3.29Å; I33-A180 HydrophobicContact CG1-CB 4.16Å; D34-A180 PolarHBondContact N-O 3.15Å; A180-L195 WeakPolarHBondContact CA-O 3.47Å; A180-L195 HydrophobicContact CB-CB 4.28Å; A180-L198 HydrophobicContact CB-CB 4.19Å; A180-L198 HydrophobicContact CB-CD2 3.51Å; A180-L198 HydrophobicContact CB-CG 4.48Å
181T97.5Very high96.2Very high7 Ų722.5 Ų22.54%0.04312%0.122CC..  trans-156.9155.3176.4-177.60000108.9D34 T179 D183 L194 L195 R196D34-T181 PolarHBondContact OD2-OG1 3.2Å; T179-T181 HydrophobicContact CG2-CG2 3.99Å; T181-D183 VanDerWaalsContact C-N 3.25Å; T181-D183 HydrophobicContact CG2-CB 4.35Å; T181-D183 WeakPolarHBondContact CG2-O 3.47Å; T181-D183 PolarHBondContact OG1-N 3.41Å; T181-L194 HydrophobicContact CG2-CD1 4.05Å; T181-L194 HydrophobicContact CG2-CG 4.45Å; T181-L195 PolarHBondContact N-O 2.96Å; T181-L195 VanDerWaalsContact N-O 3.16Å; T181-R196 WeakPolarHBondContact O-CG 3.44Å
182E95.2Very high96.1Very high22 Ų2225 Ų2510%0.10314%0.135CC..SBendtrans-84.9-5.3166.5-65.9-52.8141.400112.9M1 M37 R196 H197M1-E182 PolarHBondContact N-O 2.97Å; M37-E182 HydrophobicContact CG-CB 4.29Å; M37-E182 HydrophobicContact SD-CB 4.5Å; E182-R196 IonicContact OE2-CZ 2.67Å; E182-R196 VanDerWaalsContact OE2-CZ 3.29Å; E182-R196 IonicContact OE2-NE 2.98Å; E182-R196 PolarHBondContact OE2-NE 3.41Å; E182-R196 IonicContact OE2-NH2 3.24Å; E182-R196 PolarHBondContact OE2-NH2 2.99Å; E182-H197 WeakPolarHBondContact OE1-CA 3.24Å; E182-H197 IonicContact OE1-CD2 3.26Å; E182-H197 PolarHBondContact OE1-N 3.38Å; E182-H197 IonicContact OE2-CD2 2.78Å; E182-H197 IonicContact OE2-NE2 3.57Å
183D94.4Very high96.3Very high13 Ų1320.1 Ų20.17%0.0712%0.115CC..  trans-82129.5175.5-145.8-36.3000111.5M1 G2 T181 D185 L194M1-D183 VanDerWaalsContact CA-OD2 3.32Å; M1-D183 WeakPolarHBondContact CA-OD2 3.19Å; M1-D183 WeakPolarHBondContact CB-OD2 3.33Å; G2-D183 WeakPolarHBondContact CA-OD1 3.42Å; G2-D183 PolarHBondContact N-OD1 3.07Å; G2-D183 PolarHBondContact N-OD2 3.17Å; T181-D183 VanDerWaalsContact C-N 3.25Å; T181-D183 HydrophobicContact CG2-CB 4.35Å; T181-D183 WeakPolarHBondContact CG2-O 3.47Å; T181-D183 PolarHBondContact OG1-N 3.41Å; D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 WeakPolarHBondContact CB-OD1 3.41Å; D183-D185 PolarHBondContact OD1-N 2.72Å; D183-D185 VanDerWaalsContact OD1-OD1 3.08Å; D183-L194 WeakPolarHBondContact O-CD1 3.44Å
184M95.6Very high96.5Very high7 Ų715.1 Ų15.13%0.0349%0.091CC..G310 helixtrans-86.3-11-175.5-64.8-67.4-60.800112.2L6 A7 I10 G186 L187 L194 R196 F211L6-M184 HydrophobicContact CB-CB 4.39Å; L6-M184 HydrophobicContact CD2-CB 3.9Å; L6-M184 HydrophobicContact CG-CB 4.42Å; L6-M184 HydrophobicContact CG-CE 4.33Å; A7-M184 HydrophobicContact CB-CE 4.04Å; A7-M184 HydrophobicContact CB-CG 4.34Å; A7-M184 HydrophobicContact CB-SD 4.09Å; I10-M184 HydrophobicContact CD1-CE 3.69Å; M184-G186 PolarHBondContact O-N 2.78Å; M184-L187 HydrophobicContact CE-CD1 3.63Å; M184-L187 WeakPolarHBondContact O-CB 3.48Å; M184-L187 PolarHBondContact O-N 3.28Å; M184-L187 VanDerWaalsContact O-N 3.13Å; M184-L194 HydrophobicContact SD-CD2 4.46Å; M184-R196 VanDerWaalsContact SD-CD 3.52Å; M184-F211 HydrophobicContact CE-CD1 4.07Å; M184-F211 HydrophobicContact CE-CE1 3.93Å; M184-F211 HydrophobicContact CE-CZ 4.3Å; M184-F211 HydrophobicContact SD-CZ 4.49Å
185D93.6Very high96.7Very high1 Ų112.2 Ų12.21%0.0056%0.061CC..G310 helixtrans-63.4-19.417256.110.2000113.4I3 E164 D183 L187 T188 F189 F287I3-D185 HydrophobicContact CD1-CB 4.36Å; I3-D185 HydrophobicContact CG1-CB 4.31Å; E164-D185 WeakPolarHBondContact CG-OD1 3.35Å; D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 WeakPolarHBondContact CB-OD1 3.41Å; D183-D185 PolarHBondContact OD1-N 2.72Å; D183-D185 VanDerWaalsContact OD1-OD1 3.08Å; D185-L187 PolarHBondContact O-N 3.46Å; D185-T188 WeakPolarHBondContact CA-OG1 3.45Å; D185-T188 WeakPolarHBondContact O-CA 3.39Å; D185-T188 PolarHBondContact O-N 2.96Å; D185-T188 PolarHBondContact O-OG1 3.07Å; D185-F189 HydrophobicContact CB-CE2 4.28Å; D185-F189 WeakPolarHBondContact O-CD2 3.31Å; D185-F189 PolarHBondContact O-N 3.46Å; D185-F287 HydrophobicContact CB-CE1 4.4Å
186G95.5Very high96.7Very high0 Ų011.2 Ų11.20%06%0.056CC..G310 helixtrans-52.3-32.416800000112.6M184 G190 T191M184-G186 PolarHBondContact O-N 2.78Å; G186-G190 PolarHBondContact O-N 3.38Å; G186-T191 WeakPolarHBondContact O-CB 3.16Å; G186-T191 WeakPolarHBondContact O-CG2 3.49Å; G186-T191 PolarHBondContact O-N 2.67Å; G186-T191 VanDerWaalsContact O-N 3.11Å
187L97.3Very high96.7Very high0 Ų012.4 Ų12.40%06%0.061CC..THydrogen-bonded Turntrans-72.4-35.6173.2-64.4172.9000112.7I10 M184 D185 F189 G190 T191 L194 F211 F213 I216 F227I10-L187 HydrophobicContact CD1-CD1 3.78Å; M184-L187 HydrophobicContact CE-CD1 3.63Å; M184-L187 WeakPolarHBondContact O-CB 3.48Å; M184-L187 PolarHBondContact O-N 3.28Å; M184-L187 VanDerWaalsContact O-N 3.13Å; D185-L187 PolarHBondContact O-N 3.46Å; L187-F189 VanDerWaalsContact C-N 3.33Å; L187-G190 WeakPolarHBondContact O-CA 3.25Å; L187-G190 PolarHBondContact O-N 3.39Å; L187-T191 HydrophobicContact CD2-CG2 4.18Å; L187-L194 HydrophobicContact CD2-CB 3.87Å; L187-L194 HydrophobicContact CD2-CD1 4.43Å; L187-L194 HydrophobicContact CG-CB 4.32Å; L187-L194 HydrophobicContact CG-CD1 4Å; L187-F211 HydrophobicContact CD2-CB 4.39Å; L187-F213 HydrophobicContact CB-CD2 4.17Å; L187-F213 HydrophobicContact CB-CE2 4.44Å; L187-F213 HydrophobicContact CD2-CB 4.08Å; L187-F213 HydrophobicContact CD2-CD2 4.07Å; L187-F213 HydrophobicContact CD2-CG 4.47Å; L187-F213 VanDerWaalsContact O-CE2 3.29Å; L187-F213 WeakPolarHBondContact O-CE2 3.39Å; L187-I216 HydrophobicContact CD1-CD1 3.76Å; L187-I216 HydrophobicContact CD2-CD1 4.17Å; L187-F227 HydrophobicContact CB-CE1 4.06Å; L187-F227 HydrophobicContact CB-CZ 4.18Å
188T96.4Very high96.6Very high2 Ų210.4 Ų10.41%0.0125%0.052CC..THydrogen-bonded Turntrans-71.7-30.2177.854.10000111.8I3 D185 G190 F227 C231 F287I3-T188 HydrophobicContact CD1-CG2 4.18Å; I3-T188 HydrophobicContact CG1-CG2 4.03Å; D185-T188 WeakPolarHBondContact CA-OG1 3.45Å; D185-T188 WeakPolarHBondContact O-CA 3.39Å; D185-T188 PolarHBondContact O-N 2.96Å; D185-T188 PolarHBondContact O-OG1 3.07Å; T188-G190 PolarHBondContact O-N 2.95Å; T188-F227 HydrophobicContact CG2-CD1 4.42Å; T188-F227 HydrophobicContact CG2-CE1 3.92Å; T188-C231 HydrophobicContact CG2-CB 3.39Å; T188-C231 WeakPolarHBondContact CG2-SG 3.34Å; T188-F287 WeakPolarHBondContact OG1-CD1 3.46Å; T188-F287 WeakPolarHBondContact OG1-CE1 3.48Å
189F96.8Very high96.3Very high4 Ų410.9 Ų10.92%0.0186%0.055CC..THydrogen-bonded Turntrans-72.2-2.9166.1-64.7-61.2000113.3E164 A165 A168 K172 D185 L187 Y238 F287 P290E164-F189 HydrophobicContact CB-CD2 4.49Å; E164-F189 HydrophobicContact CG-CD2 3.68Å; E164-F189 HydrophobicContact CG-CE2 3.51Å; A165-F189 HydrophobicContact CB-CB 4.35Å; A165-F189 HydrophobicContact CB-CD1 3.68Å; A165-F189 HydrophobicContact CB-CD2 3.88Å; A165-F189 HydrophobicContact CB-CE1 3.84Å; A165-F189 HydrophobicContact CB-CE2 4.04Å; A165-F189 HydrophobicContact CB-CG 3.7Å; A165-F189 HydrophobicContact CB-CZ 4.02Å; A168-F189 HydrophobicContact CB-CB 3.85Å; K172-F189 VanDerWaalsContact CE-O 3.22Å; K172-F189 WeakPolarHBondContact CE-O 3.34Å; K172-F189 PolarHBondContact NZ-O 2.83Å; D185-F189 HydrophobicContact CB-CE2 4.28Å; D185-F189 WeakPolarHBondContact O-CD2 3.31Å; D185-F189 PolarHBondContact O-N 3.46Å; L187-F189 VanDerWaalsContact C-N 3.33Å; F189-Y238 HydrophobicContact CZ-CE2 4.39Å; F189-Y238 WeakPolarHBondContact CZ-OH 3.27Å; F189-F287 AromaticContact CD1-CD1 3.9Å; F189-F287 HydrophobicContact CD1-CD1 3.9Å; F189-F287 AromaticContact CE1-CD1 3.58Å; F189-F287 HydrophobicContact CE1-CD1 3.58Å; F189-F287 HydrophobicContact CE1-CE1 4.14Å; F189-F287 HydrophobicContact CE2-CD1 4.27Å; F189-F287 HydrophobicContact CE2-CE1 4.14Å; F189-F287 HydrophobicContact CG-CD1 4.38Å; F189-F287 AromaticContact CZ-CD1 3.79Å; F189-F287 HydrophobicContact CZ-CD1 3.79Å; F189-F287 AromaticContact CZ-CE1 3.86Å; F189-F287 HydrophobicContact CZ-CE1 3.86Å; F189-P290 HydrophobicContact CD1-CB 3.87Å; F189-P290 HydrophobicContact CD1-CG 3.9Å; F189-P290 HydrophobicContact CE1-CB 3.86Å; F189-P290 HydrophobicContact CE1-CG 4.39Å
190G94Very high95.9Very high4 Ų411.7 Ų11.74%0.0416%0.062CC..THydrogen-bonded Turntrans8228.3170.700000114.8K172 G186 L187 T188 N192K172-G190 WeakPolarHBondContact CE-O 3.36Å; G186-G190 PolarHBondContact O-N 3.38Å; L187-G190 WeakPolarHBondContact O-CA 3.25Å; L187-G190 PolarHBondContact O-N 3.39Å; T188-G190 PolarHBondContact O-N 2.95Å; G190-N192 PolarHBondContact O-N 2.93Å
191T97.2Very high95.4Very high0 Ų013.4 Ų13.40%07%0.073CC..  trans-60.2134.1170.9-166.20000110.4T179 G186 L187 V193 L194 F213T179-T191 PolarHBondContact OG1-OG1 3.3Å; G186-T191 WeakPolarHBondContact O-CB 3.16Å; G186-T191 WeakPolarHBondContact O-CG2 3.49Å; G186-T191 PolarHBondContact O-N 2.67Å; G186-T191 VanDerWaalsContact O-N 3.11Å; L187-T191 HydrophobicContact CD2-CG2 4.18Å; T191-V193 VanDerWaalsContact C-N 3.33Å; T191-V193 PolarHBondContact O-N 3.11Å; T191-V193 PolarHBondContact OG1-O 2.83Å; T191-L194 HydrophobicContact CG2-CB 3.8Å; T191-L194 HydrophobicContact CG2-CD1 4.26Å; T191-F213 WeakPolarHBondContact O-CB 3.38Å
192N95.6Very high94.7Very high60 Ų6019 Ų1932%0.32110%0.099SC..SBendtrans-68.8-34.4-178.9-72.6-34.8000112.4V171 G190 F213V171-N192 HydrophobicContact CG1-CB 3.88Å; G190-N192 PolarHBondContact O-N 2.93Å; N192-F213 PolarHBondContact O-N 2.76Å
193V98.1Very high94.3Very high13 Ų1322.1 Ų22.18%0.07913%0.129CC..EExtended strand (participates in β ladder)trans-136.8121.3-178.5-175.10000108.8F177 A178 T179 T191 L195 E210 F211F177-V193 HydrophobicContact CE1-CG1 4.19Å; F177-V193 HydrophobicContact CZ-CG1 4.17Å; F177-V193 HydrophobicContact CZ-CG2 4.49Å; A178-V193 WeakPolarHBondContact CA-O 3.38Å; A178-V193 HydrophobicContact CB-CB 3.79Å; A178-V193 HydrophobicContact CB-CG1 3.69Å; A178-V193 WeakPolarHBondContact CB-O 3.16Å; T179-V193 PolarHBondContact N-O 3.03Å; T191-V193 VanDerWaalsContact C-N 3.33Å; T191-V193 PolarHBondContact O-N 3.11Å; T191-V193 PolarHBondContact OG1-O 2.83Å; V193-L195 HydrophobicContact CG1-CD2 4.09Å; V193-E210 HydrophobicContact CG1-CG 3.67Å; V193-F211 WeakPolarHBondContact CA-O 3.32Å
194L98.4Very high93.8Very high0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-111.5130.6174.4-173.4148.5000109.9T179 T181 D183 M184 L187 T191 R196 E210 F211T179-L194 CarbonylContact O-C 3.57Å; T179-L194 WeakPolarHBondContact O-CA 3.28Å; T181-L194 HydrophobicContact CG2-CD1 4.05Å; T181-L194 HydrophobicContact CG2-CG 4.45Å; D183-L194 WeakPolarHBondContact O-CD1 3.44Å; M184-L194 HydrophobicContact SD-CD2 4.46Å; L187-L194 HydrophobicContact CD2-CB 3.87Å; L187-L194 HydrophobicContact CD2-CD1 4.43Å; L187-L194 HydrophobicContact CG-CB 4.32Å; L187-L194 HydrophobicContact CG-CD1 4Å; T191-L194 HydrophobicContact CG2-CB 3.8Å; T191-L194 HydrophobicContact CG2-CD1 4.26Å; L194-R196 HydrophobicContact CD2-CG 3.53Å; L194-E210 WeakPolarHBondContact O-CA 3.3Å; L194-F211 HydrophobicContact CB-CB 4.25Å; L194-F211 HydrophobicContact CD2-CD2 3.96Å; L194-F211 PolarHBondContact N-O 2.85Å; L194-F211 PolarHBondContact O-N 3.21Å
195L98.4Very high93.4Very high1 Ų136.5 Ų36.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-111.1123.6178.3-57-179.1000110.7Y26 I31 A178 T179 A180 T181 V193 V208 Q209 E210Y26-L195 HydrophobicContact CD1-CD1 4.07Å; Y26-L195 HydrophobicContact CE1-CD1 3.76Å; Y26-L195 HydrophobicContact CE1-CD2 3.73Å; Y26-L195 HydrophobicContact CE1-CG 4.42Å; I31-L195 HydrophobicContact CD1-CD1 3.65Å; I31-L195 HydrophobicContact CG1-CD1 4.34Å; I31-L195 HydrophobicContact CG2-CD1 4.34Å; A178-L195 HydrophobicContact CB-CD1 3.78Å; A178-L195 HydrophobicContact CB-CD2 4.44Å; A178-L195 HydrophobicContact CB-CG 3.73Å; T179-L195 PolarHBondContact O-N 3.18Å; A180-L195 WeakPolarHBondContact CA-O 3.47Å; A180-L195 HydrophobicContact CB-CB 4.28Å; T181-L195 PolarHBondContact N-O 2.96Å; T181-L195 VanDerWaalsContact N-O 3.16Å; V193-L195 HydrophobicContact CG1-CD2 4.09Å; L195-V208 HydrophobicContact CB-CG1 4.16Å; L195-V208 HydrophobicContact CD2-CG1 4.23Å; L195-Q209 CarbonylContact C-O 3.09Å; L195-Q209 WeakPolarHBondContact CA-O 3.39Å; L195-E210 HydrophobicContact CD2-CB 3.68Å; L195-E210 HydrophobicContact CD2-CG 3.69Å
196R97.5Very high93.3Very high47 Ų4739.9 Ų39.918%0.17721%0.208CC..EExtended strand (participates in β ladder)trans-105.7156169.1-62.7-171.456.1-155.7-9.4110.7T181 E182 M184 L194 L198 V208 Q209 F211T181-R196 WeakPolarHBondContact O-CG 3.44Å; E182-R196 IonicContact OE2-CZ 2.67Å; E182-R196 VanDerWaalsContact OE2-CZ 3.29Å; E182-R196 IonicContact OE2-NE 2.98Å; E182-R196 PolarHBondContact OE2-NE 3.41Å; E182-R196 IonicContact OE2-NH2 3.24Å; E182-R196 PolarHBondContact OE2-NH2 2.99Å; M184-R196 VanDerWaalsContact SD-CD 3.52Å; L194-R196 HydrophobicContact CD2-CG 3.53Å; R196-L198 PolarHBondContact O-N 3.31Å; R196-V208 WeakPolarHBondContact O-CA 3.37Å; R196-V208 WeakPolarHBondContact O-CG1 3.49Å; R196-Q209 HydrophobicContact CB-CB 4.21Å; R196-Q209 PolarHBondContact N-O 3.13Å; R196-Q209 PolarHBondContact O-N 3.4Å; R196-F211 HydrophobicContact CB-CE2 4.32Å; R196-F211 HydrophobicContact CG-CD2 4.39Å; R196-F211 HydrophobicContact CG-CE2 3.9Å
197H96Very high93.3Very high32 Ų3242.2 Ų42.215%0.14822%0.223CC..SBendtrans66.311.1-179.1-44.8151.2000115.4E182 T199 A200 L206 P207 Q209E182-H197 WeakPolarHBondContact OE1-CA 3.24Å; E182-H197 IonicContact OE1-CD2 3.26Å; E182-H197 PolarHBondContact OE1-N 3.38Å; E182-H197 IonicContact OE2-CD2 2.78Å; E182-H197 IonicContact OE2-NE2 3.57Å; H197-T199 VanDerWaalsContact C-N 3.34Å; H197-T199 PolarHBondContact O-N 2.99Å; H197-A200 HydrophobicContact CB-CB 4.1Å; H197-A200 VanDerWaalsContact O-CB 3.25Å; H197-A200 WeakPolarHBondContact O-CB 3.21Å; H197-A200 PolarHBondContact O-N 3.49Å; H197-L206 HydrophobicContact CB-CB 4.29Å; H197-P207 PolarHBondContact ND1-O 3.12Å; H197-Q209 PolarHBondContact CE1-OE1 2.9Å
198L96Very high93.3Very high3 Ų342.3 Ų42.32%0.01622%0.224CC..THydrogen-bonded Turntrans-62.9-42.3177.6-175.164.9000111.8I23 I31 R73 M74 I79 A180 R196 A200 V208I23-L198 HydrophobicContact CD1-CD1 4.02Å; I23-L198 HydrophobicContact CG1-CD1 4.13Å; I31-L198 HydrophobicContact CD1-CD2 4.05Å; I31-L198 HydrophobicContact CG2-CD2 3.77Å; R73-L198 PolarHBondContact NH1-O 3.15Å; M74-L198 HydrophobicContact SD-CD2 3.92Å; M74-L198 HydrophobicContact SD-CG 3.96Å; I79-L198 HydrophobicContact CD1-CD1 3.94Å; A180-L198 HydrophobicContact CB-CB 4.19Å; A180-L198 HydrophobicContact CB-CD2 3.51Å; A180-L198 HydrophobicContact CB-CG 4.48Å; R196-L198 PolarHBondContact O-N 3.31Å; L198-A200 VanDerWaalsContact C-N 3.32Å; L198-V208 HydrophobicContact CD1-CG2 4.21Å
199T92.6Very high93.4Very high11 Ų1144.1 Ų44.17%0.06723%0.232CC..THydrogen-bonded Turntrans-89.42.7-18058.50000113.2I33 C38 Q41 R70 H197I33-T199 HydrophobicContact CG2-CG2 3.99Å; C38-T199 WeakPolarHBondContact SG-CG2 3.26Å; Q41-T199 PolarHBondContact OE1-OG1 3.07Å; Q41-T199 VanDerWaalsContact OE1-OG1 3.12Å; R70-T199 VanDerWaalsContact CD-O 3.27Å; R70-T199 WeakPolarHBondContact CD-O 3.3Å; R70-T199 PolarHBondContact NE-O 3.17Å; H197-T199 VanDerWaalsContact C-N 3.34Å; H197-T199 PolarHBondContact O-N 2.99Å
200A90.1Very high93.4Very high17 Ų1744.2 Ų44.214%0.1423%0.233CC..SBendtrans-62.5154.6177.200000111.6R70 R73 H197 L198 E202 L206R70-A200 PolarHBondContact NE-O 3.25Å; R73-A200 PolarHBondContact NH1-O 2.98Å; H197-A200 HydrophobicContact CB-CB 4.1Å; H197-A200 VanDerWaalsContact O-CB 3.25Å; H197-A200 WeakPolarHBondContact O-CB 3.21Å; H197-A200 PolarHBondContact O-N 3.49Å; L198-A200 VanDerWaalsContact C-N 3.32Å; A200-E202 PolarHBondContact O-N 3.26Å; A200-L206 HydrophobicContact CB-CD1 4.34Å
201S86.7Confident93.6Very high37 Ų3744.1 Ų44.126%0.25923%0.231SC..  trans-64.7132.7176.9-168.80000112.2R70 A203 K204R70-S201 VanDerWaalsContact NH2-CA 3.26Å; R70-S201 PolarHBondContact NH2-OG 3.45Å; S201-A203 PolarHBondContact O-N 3.01Å; S201-K204 WeakPolarHBondContact O-CB 3.37Å; S201-K204 PolarHBondContact O-N 3.43Å
202E83.8Confident93.7Very high125 Ų12546 Ų4658%0.58424%0.24SC*.G310 helixtrans-55.4-35.9173.9-175.2174.5-170.400111.7A200 K204 K205A200-E202 PolarHBondContact O-N 3.26Å; E202-K204 PolarHBondContact O-N 2.93Å; E202-K204 VanDerWaalsContact O-N 3.14Å; E202-K205 PolarHBondContact O-N 2.68Å
203A86Confident93.7Very high88 Ų8843.6 Ų43.673%0.72723%0.226SC*.G310 helixtrans-58.9-27.2176.300000113.4S201 K205S201-A203 PolarHBondContact O-N 3.01Å; A203-K205 VanDerWaalsContact C-N 3.3Å
204K85.3Confident93.6Very high135 Ų13548 Ų4859%0.58725%0.249SC*.G310 helixtrans-78.1-14.4177.3-65.3-174.7175.3-174.10113S201 E202 L206S201-K204 WeakPolarHBondContact O-CB 3.37Å; S201-K204 PolarHBondContact O-N 3.43Å; E202-K204 PolarHBondContact O-N 2.93Å; E202-K204 VanDerWaalsContact O-N 3.14Å; K204-L206 HydrophobicContact CB-CD1 4.19Å; K204-L206 HydrophobicContact CB-CG 3.93Å; K204-L206 HydrophobicContact CD-CD1 4.22Å; K204-L206 PolarHBondContact O-N 3.1Å; K204-L206 VanDerWaalsContact O-N 3.07Å
205K87.1Confident93.6Very high186 Ų18652.9 Ų52.981%0.80927%0.268SS*.THydrogen-bonded Turntrans49.234.3-179.7-58.2-179.4-179.4178.30113.7E202 A203E202-K205 PolarHBondContact O-N 2.68Å; A203-K205 VanDerWaalsContact C-N 3.3Å
206L91.4Very high93.5Very high73 Ų7352.8 Ų52.838%0.38227%0.268SS..PPolyproline II helixtrans-77.6131.6177.9-64.6175.9000109.7H197 A200 K204H197-L206 HydrophobicContact CB-CB 4.29Å; A200-L206 HydrophobicContact CB-CD1 4.34Å; K204-L206 HydrophobicContact CB-CD1 4.19Å; K204-L206 HydrophobicContact CB-CG 3.93Å; K204-L206 HydrophobicContact CD-CD1 4.22Å; K204-L206 PolarHBondContact O-N 3.1Å; K204-L206 VanDerWaalsContact O-N 3.07Å
207P95.2Very high93.5Very high49 Ų4951.8 Ų51.832%0.31827%0.265SS..PPolyproline II helixtrans-67.5152.3170.530.2-34000110.3E20 H197 Q209E20-P207 HydrophobicContact CB-CB 4.14Å; E20-P207 HydrophobicContact CB-CG 4.25Å; E20-P207 HydrophobicContact CG-CG 4.47Å; H197-P207 PolarHBondContact ND1-O 3.12Å; P207-Q209 PolarHBondContact O-N 3Å
208V97.4Very high93.5Very high2 Ų256.5 Ų56.51%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-74.1123173.1-178.50000107.7E20 Q21 I23 Y26 L195 R196 L198E20-V208 WeakPolarHBondContact CA-O 3.22Å; Q21-V208 PolarHBondContact N-O 3.23Å; Q21-V208 PolarHBondContact O-N 3.46Å; I23-V208 HydrophobicContact CB-CG2 4.26Å; Y26-V208 HydrophobicContact CE2-CB 3.82Å; Y26-V208 HydrophobicContact CE2-CG1 3.77Å; Y26-V208 HydrophobicContact CE2-CG2 4.15Å; L195-V208 HydrophobicContact CB-CG1 4.16Å; L195-V208 HydrophobicContact CD2-CG1 4.23Å; R196-V208 WeakPolarHBondContact O-CA 3.37Å; R196-V208 WeakPolarHBondContact O-CG1 3.49Å; L198-V208 HydrophobicContact CD1-CG2 4.21Å
209Q97.4Very high93.5Very high39 Ų3958.8 Ų58.818%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-92122.3176.2-73.2-174.4-19.500109.7K19 E20 L195 R196 H197 P207 F211K19-Q209 CarbonylContact O-C 3.53Å; K19-Q209 WeakPolarHBondContact O-CA 2.98Å; E20-Q209 HydrophobicContact CG-CG 4.21Å; E20-Q209 PolarHBondContact OE1-NE2 2.96Å; L195-Q209 CarbonylContact C-O 3.09Å; L195-Q209 WeakPolarHBondContact CA-O 3.39Å; R196-Q209 HydrophobicContact CB-CB 4.21Å; R196-Q209 PolarHBondContact N-O 3.13Å; R196-Q209 PolarHBondContact O-N 3.4Å; H197-Q209 PolarHBondContact CE1-OE1 2.9Å; P207-Q209 PolarHBondContact O-N 3Å; Q209-F211 HydrophobicContact CB-CE2 3.88Å
210E97.9Very high93.6Very high7 Ų758.3 Ų58.33%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-109.7122.3-178.7179.9179.6-171.500110.1I18 K19 Q21 V193 L194 L195 H212I18-E210 CarbonylContact C-O 3.55Å; I18-E210 WeakPolarHBondContact CA-O 3.25Å; K19-E210 HydrophobicContact CB-CB 4.3Å; K19-E210 PolarHBondContact N-O 2.86Å; K19-E210 PolarHBondContact O-N 3.28Å; Q21-E210 PolarHBondContact NE2-OE2 3.17Å; V193-E210 HydrophobicContact CG1-CG 3.67Å; L194-E210 WeakPolarHBondContact O-CA 3.3Å; L195-E210 HydrophobicContact CD2-CB 3.68Å; L195-E210 HydrophobicContact CD2-CG 3.69Å; E210-H212 IonicContact OE1-CE1 3.14Å; E210-H212 PolarHBondContact OE1-CE1 2.92Å; E210-H212 IonicContact OE1-ND1 3.54Å; E210-H212 IonicContact OE1-NE2 3.13Å; E210-H212 PolarHBondContact OE1-NE2 3.2Å; E210-H212 IonicContact OE2-NE2 2.93Å
211F98.3Very high93.8Very high2 Ų260.2 Ų60.21%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-108.2122.9178.2-64.5-99.8000109.3I10 A17 I18 M184 L187 V193 L194 R196 Q209 I216I10-F211 HydrophobicContact CD1-CD1 4.38Å; I10-F211 HydrophobicContact CG2-CD1 4.31Å; A17-F211 WeakPolarHBondContact O-CA 3.41Å; I18-F211 HydrophobicContact CD1-CD1 4.24Å; I18-F211 HydrophobicContact CD1-CE1 3.62Å; I18-F211 HydrophobicContact CD1-CZ 4.35Å; I18-F211 HydrophobicContact CG1-CD1 3.83Å; I18-F211 HydrophobicContact CG1-CE1 3.7Å; I18-F211 HydrophobicContact CG2-CE1 4.28Å; I18-F211 HydrophobicContact CG2-CZ 4.3Å; M184-F211 HydrophobicContact CE-CD1 4.07Å; M184-F211 HydrophobicContact CE-CE1 3.93Å; M184-F211 HydrophobicContact CE-CZ 4.3Å; M184-F211 HydrophobicContact SD-CZ 4.49Å; L187-F211 HydrophobicContact CD2-CB 4.39Å; V193-F211 WeakPolarHBondContact CA-O 3.32Å; L194-F211 HydrophobicContact CB-CB 4.25Å; L194-F211 HydrophobicContact CD2-CD2 3.96Å; L194-F211 PolarHBondContact N-O 2.85Å; L194-F211 PolarHBondContact O-N 3.21Å; R196-F211 HydrophobicContact CB-CE2 4.32Å; R196-F211 HydrophobicContact CG-CD2 4.39Å; R196-F211 HydrophobicContact CG-CE2 3.9Å; Q209-F211 HydrophobicContact CB-CE2 3.88Å; F211-I216 HydrophobicContact CB-CD1 4.3Å
212H97.9Very high94.3Very high40 Ų4059.1 Ų59.119%0.18531%0.309CS..EExtended strand (participates in β ladder)trans-99.9107178.1-69.8-77.3000111.4A17 K19 E210 N214 R215 I216A17-H212 PolarHBondContact O-N 3.38Å; K19-H212 PolarHBondContact NZ-NE2 3.07Å; E210-H212 IonicContact OE1-CE1 3.14Å; E210-H212 PolarHBondContact OE1-CE1 2.92Å; E210-H212 IonicContact OE1-ND1 3.54Å; E210-H212 IonicContact OE1-NE2 3.13Å; E210-H212 PolarHBondContact OE1-NE2 3.2Å; E210-H212 IonicContact OE2-NE2 2.93Å; H212-N214 PolarHBondContact O-N 3.26Å; H212-R215 HydrophobicContact CB-CB 3.9Å; H212-R215 WeakPolarHBondContact O-CB 3.39Å; H212-R215 PolarHBondContact O-N 2.58Å; H212-I216 WeakPolarHBondContact O-CG1 3.48Å; H212-I216 PolarHBondContact O-N 3.46Å
213F97.3Very high95Very high8 Ų856.6 Ų56.64%0.03530%0.303CS..Hα-helixtrans-59.4-46.1-171.5-176.1-122.5000113.9L187 T191 N192 R215 I216 L217 F227L187-F213 HydrophobicContact CB-CD2 4.17Å; L187-F213 HydrophobicContact CB-CE2 4.44Å; L187-F213 HydrophobicContact CD2-CB 4.08Å; L187-F213 HydrophobicContact CD2-CD2 4.07Å; L187-F213 HydrophobicContact CD2-CG 4.47Å; L187-F213 VanDerWaalsContact O-CE2 3.29Å; L187-F213 WeakPolarHBondContact O-CE2 3.39Å; T191-F213 WeakPolarHBondContact O-CB 3.38Å; N192-F213 PolarHBondContact O-N 2.76Å; F213-R215 PolarHBondContact O-N 3.49Å; F213-I216 WeakPolarHBondContact O-CA 3.46Å; F213-I216 WeakPolarHBondContact O-CB 3.44Å; F213-I216 PolarHBondContact O-N 2.69Å; F213-L217 HydrophobicContact CD1-CD1 4.24Å; F213-L217 HydrophobicContact CE1-CD1 3.75Å; F213-L217 HydrophobicContact CE1-CG 4.33Å; F213-L217 HydrophobicContact CE2-CD1 4.43Å; F213-L217 HydrophobicContact CE2-CD2 4.02Å; F213-L217 HydrophobicContact CE2-CG 4.17Å; F213-L217 HydrophobicContact CZ-CD1 3.86Å; F213-L217 HydrophobicContact CZ-CD2 4Å; F213-L217 HydrophobicContact CZ-CG 4.08Å; F213-L217 PolarHBondContact O-N 3.27Å; F213-F227 HydrophobicContact CD2-CE1 4.49Å; F213-F227 AromaticContact CE2-CD1 3.59Å; F213-F227 HydrophobicContact CE2-CD1 3.59Å; F213-F227 AromaticContact CE2-CE1 3.64Å; F213-F227 HydrophobicContact CE2-CE1 3.64Å; F213-F227 HydrophobicContact CE2-CG 4.07Å; F213-F227 HydrophobicContact CE2-CZ 4.17Å; F213-F227 HydrophobicContact CZ-CD1 4.08Å; F213-F227 HydrophobicContact CZ-CE1 4.49Å
214N95.8Very high95.4Very high105 Ų10554.6 Ų54.656%0.56128%0.283SS*.Hα-helixtrans-60.7-34177.2-67.6-28.6000112.6H212 Q218H212-N214 PolarHBondContact O-N 3.26Å; N214-Q218 WeakPolarHBondContact O-CB 3.42Å; N214-Q218 PolarHBondContact O-N 3Å
215R96.9Very high96Very high103 Ų10354.2 Ų54.239%0.38928%0.283SS..Hα-helixtrans-73.2-36.8176.5-173.965.1-171-159.29.6111.4A17 H212 F213 Q218 D219A17-R215 HydrophobicContact CB-CB 3.81Å; A17-R215 HydrophobicContact CB-CG 3.64Å; H212-R215 HydrophobicContact CB-CB 3.9Å; H212-R215 WeakPolarHBondContact O-CB 3.39Å; H212-R215 PolarHBondContact O-N 2.58Å; F213-R215 PolarHBondContact O-N 3.49Å; R215-Q218 PolarHBondContact O-N 2.92Å; R215-D219 IonicContact CZ-OD1 3.19Å; R215-D219 IonicContact CZ-OD2 3.66Å; R215-D219 IonicContact NE-OD1 2.81Å; R215-D219 PolarHBondContact NE-OD1 3.37Å; R215-D219 IonicContact NE-OD2 2.95Å; R215-D219 PolarHBondContact NE-OD2 2.64Å; R215-D219 IonicContact NH2-OD1 2.87Å; R215-D219 PolarHBondContact NH2-OD1 3.2Å; R215-D219 IonicContact NH2-OD2 2.93Å; R215-D219 WeakPolarHBondContact O-CB 3.25Å; R215-D219 PolarHBondContact O-N 2.96Å
216I97.4Very high96.5Very high0 Ų047.6 Ų47.60%026%0.255CS..Hα-helixtrans-58-52.6172.1-64.4170.9000109.7I10 A17 L187 F211 H212 F213 Q218 D219 I220 F227I10-I216 HydrophobicContact CD1-CD1 3.84Å; I10-I216 HydrophobicContact CG1-CD1 4.37Å; I10-I216 HydrophobicContact CG1-CG2 4.24Å; I10-I216 HydrophobicContact CG2-CD1 4.08Å; I10-I216 HydrophobicContact CG2-CG1 3.95Å; A17-I216 HydrophobicContact CB-CB 4.38Å; A17-I216 HydrophobicContact CB-CG1 3.48Å; A17-I216 VanDerWaalsContact CB-CG1 3.48Å; L187-I216 HydrophobicContact CD1-CD1 3.76Å; L187-I216 HydrophobicContact CD2-CD1 4.17Å; F211-I216 HydrophobicContact CB-CD1 4.3Å; H212-I216 WeakPolarHBondContact O-CG1 3.48Å; H212-I216 PolarHBondContact O-N 3.46Å; F213-I216 WeakPolarHBondContact O-CA 3.46Å; F213-I216 WeakPolarHBondContact O-CB 3.44Å; F213-I216 PolarHBondContact O-N 2.69Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 2.64Å; I216-D219 PolarHBondContact O-N 3.21Å; I216-I220 HydrophobicContact CG2-CD1 3.54Å; I216-I220 HydrophobicContact CG2-CG1 4.23Å; I216-I220 WeakPolarHBondContact O-CB 3.41Å; I216-I220 VanDerWaalsContact O-CG1 3.23Å; I216-I220 WeakPolarHBondContact O-CG1 3.24Å; I216-I220 PolarHBondContact O-N 3.43Å; I216-F227 HydrophobicContact CG2-CD2 4.34Å; I216-F227 HydrophobicContact CG2-CE2 3.81Å
217L96.7Very high96.8Very high25 Ų2544.1 Ų44.113%0.13124%0.237CC..Hα-helixtrans-58.1-43.5178.9-65.4-175.9000111.9F213 G221 L222 F227F213-L217 HydrophobicContact CD1-CD1 4.24Å; F213-L217 HydrophobicContact CE1-CD1 3.75Å; F213-L217 HydrophobicContact CE1-CG 4.33Å; F213-L217 HydrophobicContact CE2-CD1 4.43Å; F213-L217 HydrophobicContact CE2-CD2 4.02Å; F213-L217 HydrophobicContact CE2-CG 4.17Å; F213-L217 HydrophobicContact CZ-CD1 3.86Å; F213-L217 HydrophobicContact CZ-CD2 4Å; F213-L217 HydrophobicContact CZ-CG 4.08Å; F213-L217 PolarHBondContact O-N 3.27Å; L217-G221 WeakPolarHBondContact O-CA 3.09Å; L217-G221 PolarHBondContact O-N 3.48Å; L217-L222 WeakPolarHBondContact CB-O 3.24Å; L217-L222 PolarHBondContact O-N 2.71Å; L217-L222 VanDerWaalsContact O-N 3.07Å; L217-F227 HydrophobicContact CD2-CB 3.54Å; L217-F227 HydrophobicContact CD2-CD2 4.08Å; L217-F227 HydrophobicContact CD2-CG 3.88Å
218Q96.1Very high96.9Very high132 Ų13242 Ų4262%0.61722%0.223SC*.Hα-helixtrans-64.4-50178.6-176-179.416.800113N214 R215 I216 G221N214-Q218 WeakPolarHBondContact O-CB 3.42Å; N214-Q218 PolarHBondContact O-N 3Å; R215-Q218 PolarHBondContact O-N 2.92Å; I216-Q218 VanDerWaalsContact C-N 3.3Å; I216-Q218 PolarHBondContact O-N 2.64Å; Q218-G221 PolarHBondContact O-N 3.07Å
219D95.9Very high97Very high50 Ų5042.1 Ų42.127%0.26722%0.224SC..Hα-helixtrans-72.4-35.6-175-73.9-14.8000111.3A14 R215 I216A14-D219 HydrophobicContact CB-CB 3.55Å; R215-D219 IonicContact CZ-OD1 3.19Å; R215-D219 IonicContact CZ-OD2 3.66Å; R215-D219 IonicContact NE-OD1 2.81Å; R215-D219 PolarHBondContact NE-OD1 3.37Å; R215-D219 IonicContact NE-OD2 2.95Å; R215-D219 PolarHBondContact NE-OD2 2.64Å; R215-D219 IonicContact NH2-OD1 2.87Å; R215-D219 PolarHBondContact NH2-OD1 3.2Å; R215-D219 IonicContact NH2-OD2 2.93Å; R215-D219 WeakPolarHBondContact O-CB 3.25Å; R215-D219 PolarHBondContact O-N 2.96Å; I216-D219 PolarHBondContact O-N 3.21Å
220I94.9Very high97Very high2 Ų240.2 Ų40.21%0.0122%0.215CC..Hα-helixtrans-77.5-26.6175.2-57.2-176000111.2L9 H13 A14 I216 L222 I251 R255L9-I220 HydrophobicContact CD2-CD1 4.06Å; H13-I220 HydrophobicContact CB-CG1 4.27Å; A14-I220 HydrophobicContact CB-CD1 4.34Å; A14-I220 HydrophobicContact CB-CG1 3.8Å; I216-I220 HydrophobicContact CG2-CD1 3.54Å; I216-I220 HydrophobicContact CG2-CG1 4.23Å; I216-I220 WeakPolarHBondContact O-CB 3.41Å; I216-I220 VanDerWaalsContact O-CG1 3.23Å; I216-I220 WeakPolarHBondContact O-CG1 3.24Å; I216-I220 PolarHBondContact O-N 3.43Å; I220-L222 HydrophobicContact CB-CG 4.49Å; I220-L222 HydrophobicContact CG2-CD1 3.66Å; I220-L222 HydrophobicContact CG2-CG 3.76Å; I220-I251 HydrophobicContact CG2-CD1 3.62Å; I220-I251 HydrophobicContact CG2-CG1 4.31Å; I220-R255 PolarHBondContact O-NE 3.43Å; I220-R255 PolarHBondContact O-NH2 3.04Å
221G95.4Very high97Very high57 Ų5739.9 Ų39.959%0.58821%0.213SC*.THydrogen-bonded Turntrans77.440.2-179.500000113L217 Q218L217-G221 WeakPolarHBondContact O-CA 3.09Å; L217-G221 PolarHBondContact O-N 3.48Å; Q218-G221 PolarHBondContact O-N 3.07Å
222L96.7Very high97Very high13 Ų1339.8 Ų39.87%0.06821%0.213CC..  trans-122.3151.1-179.7-61.8-178.5000111.3L217 I220 Q226 L230 I254 R255L217-L222 WeakPolarHBondContact CB-O 3.24Å; L217-L222 PolarHBondContact O-N 2.71Å; L217-L222 VanDerWaalsContact O-N 3.07Å; I220-L222 HydrophobicContact CB-CG 4.49Å; I220-L222 HydrophobicContact CG2-CD1 3.66Å; I220-L222 HydrophobicContact CG2-CG 3.76Å; L222-Q226 HydrophobicContact CB-CB 3.99Å; L222-Q226 HydrophobicContact CD2-CB 4.2Å; L222-Q226 HydrophobicContact CG-CB 4.49Å; L222-L230 HydrophobicContact CD1-CB 4.45Å; L222-L230 HydrophobicContact CD1-CD2 3.79Å; L222-I254 HydrophobicContact CD1-CG2 4.06Å; L222-I254 HydrophobicContact CD2-CG2 3.76Å; L222-R255 HydrophobicContact CD2-CG 4.02Å
223T97.1Very high96.9Very high73 Ų7338 Ų3845%0.44821%0.205SC..  trans-74.1166.416571.60000110.9E225 Q226 F227T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 PolarHBondContact O-N 3.43Å; T223-Q226 PolarHBondContact O-N 2.91Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.14Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.34Å; T223-Q226 PolarHBondContact OG1-N 3.14Å; T223-F227 WeakPolarHBondContact O-CB 3.3Å; T223-F227 PolarHBondContact O-N 2.94Å
224S95.8Very high96.9Very high45 Ų4538.3 Ų38.332%0.31521%0.207SC..Hα-helixtrans-60.3-36.8175.1-170.10000112.4F227 I228S224-F227 PolarHBondContact O-N 2.94Å; S224-I228 WeakPolarHBondContact O-CG1 3.31Å; S224-I228 PolarHBondContact O-N 3.22Å; S224-I228 VanDerWaalsContact O-N 3.12Å
225E96.8Very high96.9Very high127 Ų12733.8 Ų33.859%0.59319%0.185SC*.Hα-helixtrans-69-44.7178.5-67.1177.4-173.300111.2T223 F227 I228 D229 L288T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 PolarHBondContact O-N 3.43Å; E225-F227 VanDerWaalsContact C-N 3.27Å; E225-F227 PolarHBondContact O-N 3.28Å; E225-I228 PolarHBondContact O-N 3.14Å; E225-D229 PolarHBondContact O-N 3.03Å; E225-L288 HydrophobicContact CG-CD2 4.16Å
226Q97.9Very high96.8Very high47 Ų4729.5 Ų29.522%0.2217%0.171CC..Hα-helixtrans-60.7-36.9173.4-79.1171-17.800112.5L222 T223 D229 L230 I254 G258L222-Q226 HydrophobicContact CB-CB 3.99Å; L222-Q226 HydrophobicContact CD2-CB 4.2Å; L222-Q226 HydrophobicContact CG-CB 4.49Å; T223-Q226 PolarHBondContact O-N 2.91Å; T223-Q226 WeakPolarHBondContact OG1-CB 3.14Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.34Å; T223-Q226 PolarHBondContact OG1-N 3.14Å; Q226-D229 PolarHBondContact O-N 3Å; Q226-L230 WeakPolarHBondContact O-CB 3.44Å; Q226-L230 PolarHBondContact O-N 3.46Å; Q226-I254 HydrophobicContact CB-CG2 4.03Å; Q226-I254 HydrophobicContact CG-CG2 4.39Å; Q226-G258 WeakPolarHBondContact CG-O 3.31Å
227F98.1Very high96.6Very high1 Ų130.3 Ų30.30%0.00418%0.175CC..Hα-helixtrans-65.8-39.3176.2179.9-92.1000112L6 L187 T188 F213 I216 L217 T223 S224 E225 L230 C231L6-F227 HydrophobicContact CD1-CE2 4.14Å; L6-F227 HydrophobicContact CD1-CZ 4.04Å; L6-F227 HydrophobicContact CD2-CZ 4.04Å; L187-F227 HydrophobicContact CB-CE1 4.06Å; L187-F227 HydrophobicContact CB-CZ 4.18Å; T188-F227 HydrophobicContact CG2-CD1 4.42Å; T188-F227 HydrophobicContact CG2-CE1 3.92Å; F213-F227 HydrophobicContact CD2-CE1 4.49Å; F213-F227 AromaticContact CE2-CD1 3.59Å; F213-F227 HydrophobicContact CE2-CD1 3.59Å; F213-F227 AromaticContact CE2-CE1 3.64Å; F213-F227 HydrophobicContact CE2-CE1 3.64Å; F213-F227 HydrophobicContact CE2-CG 4.07Å; F213-F227 HydrophobicContact CE2-CZ 4.17Å; F213-F227 HydrophobicContact CZ-CD1 4.08Å; F213-F227 HydrophobicContact CZ-CE1 4.49Å; I216-F227 HydrophobicContact CG2-CD2 4.34Å; I216-F227 HydrophobicContact CG2-CE2 3.81Å; L217-F227 HydrophobicContact CD2-CB 3.54Å; L217-F227 HydrophobicContact CD2-CD2 4.08Å; L217-F227 HydrophobicContact CD2-CG 3.88Å; T223-F227 WeakPolarHBondContact O-CB 3.3Å; T223-F227 PolarHBondContact O-N 2.94Å; S224-F227 PolarHBondContact O-N 2.94Å; E225-F227 VanDerWaalsContact C-N 3.27Å; E225-F227 PolarHBondContact O-N 3.28Å; F227-L230 WeakPolarHBondContact O-CB 3.41Å; F227-L230 PolarHBondContact O-N 3.47Å; F227-C231 VanDerWaalsContact CE1-SG 3.54Å; F227-C231 PolarHBondContact O-N 3.44Å; F227-C231 PolarHBondContact O-SG 3.41Å
228I98.1Very high96.5Very high3 Ų329.4 Ų29.42%0.01517%0.17CC..Hα-helixtrans-62.7-45.9173.9-70.5165.4000110.1S224 E225 L230 C231 I232 R284 F287 L288S224-I228 WeakPolarHBondContact O-CG1 3.31Å; S224-I228 PolarHBondContact O-N 3.22Å; S224-I228 VanDerWaalsContact O-N 3.12Å; E225-I228 PolarHBondContact O-N 3.14Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 2.87Å; I228-C231 WeakPolarHBondContact O-CB 3.26Å; I228-C231 PolarHBondContact O-N 3.18Å; I228-I232 HydrophobicContact CG2-CD1 3.97Å; I228-I232 WeakPolarHBondContact O-CG1 3.25Å; I228-I232 PolarHBondContact O-N 3.18Å; I228-R284 HydrophobicContact CG2-CB 4.43Å; I228-R284 HydrophobicContact CG2-CG 4.05Å; I228-F287 HydrophobicContact CD1-CB 3.99Å; I228-F287 HydrophobicContact CG1-CB 4.18Å; I228-F287 HydrophobicContact CG2-CB 3.85Å; I228-F287 HydrophobicContact CG2-CD2 3.79Å; I228-F287 HydrophobicContact CG2-CG 4.17Å; I228-L288 HydrophobicContact CD1-CD2 3.46Å; I228-L288 VanDerWaalsContact CD1-CD2 3.46Å; I228-L288 HydrophobicContact CD1-CG 3.88Å
229D98.1Very high96.4Very high5 Ų524.3 Ų24.33%0.02715%0.149CC..Hα-helixtrans-60.9-42.1177-85.67.2000112.6E225 Q226 C231 I232 L233 I254 S259 I260 R284E225-D229 PolarHBondContact O-N 3.03Å; Q226-D229 PolarHBondContact O-N 3Å; D229-C231 VanDerWaalsContact C-N 3.3Å; D229-C231 PolarHBondContact O-N 3.16Å; D229-I232 PolarHBondContact O-N 2.92Å; D229-L233 WeakPolarHBondContact O-CG 3.19Å; D229-L233 PolarHBondContact O-N 3.21Å; D229-I254 HydrophobicContact CB-CD1 3.63Å; D229-S259 WeakPolarHBondContact OD2-CA 3.38Å; D229-I260 HydrophobicContact CB-CD1 4.14Å; D229-I260 HydrophobicContact CB-CG1 3.86Å; D229-I260 PolarHBondContact OD2-N 3.39Å; D229-R284 IonicContact OD1-CZ 3.69Å; D229-R284 VanDerWaalsContact OD1-CZ 3.24Å; D229-R284 IonicContact OD1-NE 3.43Å; D229-R284 PolarHBondContact OD1-NE 3.04Å; D229-R284 IonicContact OD1-NH2 3.55Å; D229-R284 PolarHBondContact OD1-NH2 3.48Å; D229-R284 IonicContact OD2-CZ 3.69Å; D229-R284 IonicContact OD2-NE 2.92Å; D229-R284 IonicContact OD2-NH2 2.71Å; D229-R284 PolarHBondContact OD2-NH2 3.19Å
230L98.1Very high96.3Very high0 Ų023.4 Ų23.40%015%0.151CC..Hα-helixtrans-56.2-46.9171.2175.462.3000110.9L9 L222 Q226 F227 I228 I232 L233 L234 A250 I251 I254L9-L230 HydrophobicContact CD2-CD2 4.2Å; L222-L230 HydrophobicContact CD1-CB 4.45Å; L222-L230 HydrophobicContact CD1-CD2 3.79Å; Q226-L230 WeakPolarHBondContact O-CB 3.44Å; Q226-L230 PolarHBondContact O-N 3.46Å; F227-L230 WeakPolarHBondContact O-CB 3.41Å; F227-L230 PolarHBondContact O-N 3.47Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 2.87Å; L230-I232 VanDerWaalsContact C-N 3.35Å; L230-I232 PolarHBondContact O-N 3.37Å; L230-L233 WeakPolarHBondContact O-CB 3.49Å; L230-L233 PolarHBondContact O-N 2.89Å; L230-L234 HydrophobicContact CD1-CG 4.33Å; L230-L234 HydrophobicContact CG-CD1 4.3Å; L230-L234 HydrophobicContact CG-CG 4.45Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.3Å; L230-L234 PolarHBondContact O-N 2.9Å; L230-A250 HydrophobicContact CD1-CB 3.84Å; L230-I251 HydrophobicContact CD1-CB 4.15Å; L230-I254 HydrophobicContact CB-CG1 4.2Å; L230-I254 HydrophobicContact CD1-CG1 4.42Å
231C97.8Very high96.3Very high0 Ų026.1 Ų26.10%017%0.168CC..Hα-helixtrans-66.6-35.3-178.8-670000113I3 T188 F227 I228 D229 L234 G235I3-C231 HydrophobicContact CD1-CB 4Å; I3-C231 HydrophobicContact CG1-CB 4.08Å; I3-C231 HydrophobicContact CG2-CB 3.81Å; T188-C231 HydrophobicContact CG2-CB 3.39Å; T188-C231 WeakPolarHBondContact CG2-SG 3.34Å; F227-C231 VanDerWaalsContact CE1-SG 3.54Å; F227-C231 PolarHBondContact O-N 3.44Å; F227-C231 PolarHBondContact O-SG 3.41Å; I228-C231 WeakPolarHBondContact O-CB 3.26Å; I228-C231 PolarHBondContact O-N 3.18Å; D229-C231 VanDerWaalsContact C-N 3.3Å; D229-C231 PolarHBondContact O-N 3.16Å; C231-L234 PolarHBondContact O-N 3.43Å; C231-G235 PolarHBondContact O-N 3.04Å
232I97.7Very high96.2Very high0 Ų023.6 Ų23.60%014%0.141CC..Hα-helixtrans-63.6-43.4172-68.6166.9000110.4I228 D229 L230 L234 G235 I260 W278 A283 R284 F287I228-I232 HydrophobicContact CG2-CD1 3.97Å; I228-I232 WeakPolarHBondContact O-CG1 3.25Å; I228-I232 PolarHBondContact O-N 3.18Å; D229-I232 PolarHBondContact O-N 2.92Å; L230-I232 VanDerWaalsContact C-N 3.35Å; L230-I232 PolarHBondContact O-N 3.37Å; I232-L234 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 3.28Å; I232-G235 PolarHBondContact O-N 3.1Å; I232-I260 HydrophobicContact CB-CD1 3.89Å; I232-I260 HydrophobicContact CD1-CD1 4.3Å; I232-I260 HydrophobicContact CG2-CD1 3.63Å; I232-W278 HydrophobicContact CG2-CZ2 3.82Å; I232-A283 HydrophobicContact CD1-CB 4.32Å; I232-R284 HydrophobicContact CD1-CB 3.85Å; I232-F287 HydrophobicContact CG1-CD2 4.44Å; I232-F287 HydrophobicContact CG1-CE2 4.18Å
233L97.1Very high96Very high2 Ų230.4 Ų30.41%0.0117%0.17CC..Hα-helixtrans-65.5-35.3176.5-70.1172000113.3D229 L230 G235 I242 A250 I254 I260 I263 W278D229-L233 WeakPolarHBondContact O-CG 3.19Å; D229-L233 PolarHBondContact O-N 3.21Å; L230-L233 WeakPolarHBondContact O-CB 3.49Å; L230-L233 PolarHBondContact O-N 2.89Å; L233-G235 VanDerWaalsContact C-N 3.28Å; L233-I242 HydrophobicContact CD2-CD1 3.66Å; L233-I242 HydrophobicContact CD2-CG1 4.19Å; L233-A250 HydrophobicContact CB-CB 4.01Å; L233-I254 HydrophobicContact CD1-CD1 3.62Å; L233-I254 HydrophobicContact CD1-CG1 3.54Å; L233-I260 HydrophobicContact CD1-CG1 4.48Å; L233-I260 HydrophobicContact CD2-CG1 4.35Å; L233-I260 HydrophobicContact CG-CD1 4.45Å; L233-I260 HydrophobicContact CG-CG1 4.19Å; L233-I263 HydrophobicContact CD1-CD1 3.64Å; L233-W278 HydrophobicContact CD2-CH2 3.9Å
234L96.6Very high95.8Very high14 Ų1430 Ų307%0.07318%0.181CC..Hα-helixtrans-65.7-34.8174.4-71178.9000112I3 L6 L9 L230 C231 I232 P247 A250I3-L234 HydrophobicContact CG2-CB 3.89Å; I3-L234 HydrophobicContact CG2-CD1 4.01Å; L6-L234 HydrophobicContact CB-CD1 4.24Å; L6-L234 HydrophobicContact CD1-CD1 3.98Å; L9-L234 HydrophobicContact CD1-CD1 4.25Å; L9-L234 HydrophobicContact CD1-CD2 4.08Å; L230-L234 HydrophobicContact CD1-CG 4.33Å; L230-L234 HydrophobicContact CG-CD1 4.3Å; L230-L234 HydrophobicContact CG-CG 4.45Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.3Å; L230-L234 PolarHBondContact O-N 2.9Å; C231-L234 PolarHBondContact O-N 3.43Å; I232-L234 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 3.28Å; L234-P247 VanDerWaalsContact CD2-CA 3.43Å; L234-P247 HydrophobicContact CD2-CB 3.59Å; L234-P247 HydrophobicContact CD2-CG 3.85Å; L234-A250 HydrophobicContact CD2-CB 4.28Å
235G95.1Very high95.7Very high11 Ų1128.7 Ų28.711%0.11317%0.17CC..  trans115.8118-17800000111.9I3 H4 C231 I232 L233I3-G235 WeakPolarHBondContact CA-O 3.47Å; H4-G235 PolarHBondContact N-O 3.48Å; C231-G235 PolarHBondContact O-N 3.04Å; I232-G235 PolarHBondContact O-N 3.1Å; L233-G235 VanDerWaalsContact C-N 3.28Å
236C94.4Very high95.4Very high13 Ų1324.3 Ų24.39%0.08816%0.158CC..  trans-118.8172.9175.672.40000110.6I3 Y238 F287I3-C236 HydrophobicContact CD1-CB 3.47Å; I3-C236 VanDerWaalsContact CD1-CB 3.47Å; C236-Y238 HydrophobicContact CB-CD2 4.29Å; C236-Y238 PolarHBondContact O-N 3.42Å; C236-F287 HydrophobicContact CB-CE2 4.2Å; C236-F287 HydrophobicContact CB-CZ 4.01Å
237D93.9Very high95.3Very high17 Ų1724.6 Ų24.69%0.09116%0.164CC..THydrogen-bonded Turntrans-76.3-5.6-178.7-77.8-4.3000113.9K93 E96 R100K93-D237 HydrophobicContact CG-CB 4.46Å; E96-D237 HydrophobicContact CB-CB 4.49Å; E96-D237 VanDerWaalsContact CB-O 3.3Å; E96-D237 WeakPolarHBondContact CB-O 3.35Å; E96-D237 HydrophobicContact CG-CB 4.09Å; R100-D237 IonicContact CZ-OD2 4Å; R100-D237 VanDerWaalsContact NH2-CG 3.35Å; R100-D237 IonicContact NH2-OD1 3.68Å; R100-D237 PolarHBondContact NH2-OD1 2.89Å; R100-D237 IonicContact NH2-OD2 2.94Å; R100-D237 PolarHBondContact NH2-OD2 2.86Å
238Y94.6Very high95Very high5 Ų532.3 Ų32.32%0.0220%0.198CC..THydrogen-bonded Turntrans-107.5-16.2-166.8-51.7-68.6000115.2P90 L92 K93 E162 F189 C236 L286 F287P90-Y238 HydrophobicContact CG-CD1 4.02Å; P90-Y238 HydrophobicContact CG-CE1 3.66Å; L92-Y238 HydrophobicContact CB-CD1 4.45Å; K93-Y238 HydrophobicContact CB-CD1 4.1Å; K93-Y238 HydrophobicContact CB-CE1 4.24Å; K93-Y238 HydrophobicContact CD-CE1 3.94Å; K93-Y238 HydrophobicContact CG-CE1 4.41Å; E162-Y238 VanDerWaalsContact OE1-CE1 3.29Å; E162-Y238 WeakPolarHBondContact OE1-CE1 3.4Å; E162-Y238 PolarHBondContact OE1-OH 2.86Å; F189-Y238 HydrophobicContact CZ-CE2 4.39Å; F189-Y238 WeakPolarHBondContact CZ-OH 3.27Å; C236-Y238 HydrophobicContact CB-CD2 4.29Å; C236-Y238 PolarHBondContact O-N 3.42Å; Y238-L286 HydrophobicContact CD1-CD2 3.3Å; Y238-L286 HydrophobicContact CD2-CD2 3.94Å; Y238-L286 HydrophobicContact CE1-CD2 3.45Å; Y238-L286 VanDerWaalsContact CE1-CD2 3.45Å; Y238-L286 HydrophobicContact CE2-CD2 4.08Å; Y238-L286 HydrophobicContact CG-CD2 3.55Å; Y238-F287 AromaticContact CD2-CE1 3.91Å; Y238-F287 HydrophobicContact CD2-CE1 3.91Å; Y238-F287 AromaticContact CD2-CE2 3.81Å; Y238-F287 HydrophobicContact CD2-CE2 3.81Å; Y238-F287 AromaticContact CD2-CZ 3.33Å; Y238-F287 HydrophobicContact CD2-CZ 3.33Å; Y238-F287 HydrophobicContact CE2-CD1 4.43Å; Y238-F287 AromaticContact CE2-CE1 3.42Å; Y238-F287 HydrophobicContact CE2-CE1 3.42Å; Y238-F287 VanDerWaalsContact CE2-CE1 3.42Å; Y238-F287 HydrophobicContact CE2-CE2 4.2Å; Y238-F287 AromaticContact CE2-CZ 3.3Å; Y238-F287 HydrophobicContact CE2-CZ 3.3Å
239C94.6Very high94.9Very high26 Ų2637.4 Ų37.418%0.17622%0.217CC..SBendtrans-157.7172.6177.367.10000111.1A283C239-A283 HydrophobicContact CB-CB 4.15Å
240G92.8Very high94.8Very high30 Ų3037.2 Ų37.231%0.30922%0.216SC..  trans-69.5-179.4174.800000113.4W278G240-W278 PolarHBondContact O-NE1 3.42Å
241T94.7Very high94.6Very high60 Ų6037.2 Ų37.237%0.36822%0.216SC..  trans-130.6157.5175.856.50000110.7K243 P275T241-K243 PolarHBondContact O-N 3.44Å; T241-P275 WeakPolarHBondContact O-CG 3.27Å
242I94.7Very high94.5Very high3 Ų341 Ų412%0.01524%0.236CC..  trans-68.5126.8174.4-54.5176000110.1L233 G244 I245 L264 I267 H272 W278L233-I242 HydrophobicContact CD2-CD1 3.66Å; L233-I242 HydrophobicContact CD2-CG1 4.19Å; I242-G244 PolarHBondContact O-N 2.86Å; I242-I245 HydrophobicContact CB-CB 4.38Å; I242-I245 HydrophobicContact CB-CD1 3.79Å; I242-I245 HydrophobicContact CB-CG1 4.16Å; I242-I245 HydrophobicContact CD1-CD1 3.93Å; I242-I245 HydrophobicContact CG1-CD1 4.46Å; I242-I245 HydrophobicContact CG2-CD1 3.48Å; I242-I245 VanDerWaalsContact CG2-CD1 3.48Å; I242-I245 HydrophobicContact CG2-CG1 3.84Å; I242-I245 PolarHBondContact O-N 3.38Å; I242-L264 HydrophobicContact CD1-CD2 3.95Å; I242-I267 HydrophobicContact CD1-CD1 4.1Å; I242-I267 HydrophobicContact CG2-CD1 4.39Å; I242-H272 HydrophobicContact CG2-CB 3.89Å; I242-W278 HydrophobicContact CD1-CH2 3.84Å; I242-W278 HydrophobicContact CD1-CZ3 3.76Å; I242-W278 HydrophobicContact CG1-CE3 4.44Å; I242-W278 HydrophobicContact CG1-CH2 3.59Å; I242-W278 HydrophobicContact CG1-CZ2 4.35Å; I242-W278 HydrophobicContact CG1-CZ3 3.62Å
243K92.8Very high94.5Very high157 Ų15741 Ų4168%0.68324%0.236SC*.THydrogen-bonded Turntrans-65.6132.1-177.6-170.7178.9179-178.60111.1T241 I245 H272 P273T241-K243 PolarHBondContact O-N 3.44Å; K243-I245 VanDerWaalsContact C-N 3.27Å; K243-I245 PolarHBondContact O-N 3.18Å; K243-H272 PolarHBondContact O-ND1 3.33Å; K243-H272 VanDerWaalsContact O-ND1 3.12Å; K243-P273 HydrophobicContact CB-CG 4.49Å; K243-P273 PolarHBondContact N-O 2.86Å
244G91.8Very high94.5Very high65 Ų6540.9 Ų40.967%0.6724%0.236SC*.THydrogen-bonded Turntrans79.13.7176.100000115I242I242-G244 PolarHBondContact O-N 2.86Å
245I93.6Very high94.5Very high17 Ų1745.8 Ų45.89%0.08725%0.253CS..  trans-95.5107.3169.9-61-172.8000108.4I242 K243 R249 A250 L253 I267 H272I242-I245 HydrophobicContact CB-CB 4.38Å; I242-I245 HydrophobicContact CB-CD1 3.79Å; I242-I245 HydrophobicContact CB-CG1 4.16Å; I242-I245 HydrophobicContact CD1-CD1 3.93Å; I242-I245 HydrophobicContact CG1-CD1 4.46Å; I242-I245 HydrophobicContact CG2-CD1 3.48Å; I242-I245 VanDerWaalsContact CG2-CD1 3.48Å; I242-I245 HydrophobicContact CG2-CG1 3.84Å; I242-I245 PolarHBondContact O-N 3.38Å; K243-I245 VanDerWaalsContact C-N 3.27Å; K243-I245 PolarHBondContact O-N 3.18Å; I245-R249 HydrophobicContact CG2-CB 4.29Å; I245-R249 HydrophobicContact CG2-CG 4.38Å; I245-A250 HydrophobicContact CG2-CB 4.02Å; I245-L253 HydrophobicContact CD1-CD1 3.72Å; I245-L253 HydrophobicContact CG2-CD1 4.13Å; I245-I267 HydrophobicContact CD1-CD1 4.25Å; I245-H272 HydrophobicContact CD1-CB 4.41Å; I245-H272 HydrophobicContact CG1-CB 4.45Å
246G91.9Very high94.5Very high34 Ų3451.5 Ų51.535%0.35128%0.277SS..  trans-96.2178.9175.800000113.1K248 R249 A250G246-K248 PolarHBondContact O-N 3.04Å; G246-R249 PolarHBondContact O-N 3.05Å; G246-A250 PolarHBondContact O-N 2.91Å
247P94.1Very high94.6Very high54 Ų5452.6 Ų52.635%0.35128%0.28SS..Hα-helixtrans-55.2-42.6-170.9-27.633.5000115.6L9 L234 A250 I251L9-P247 HydrophobicContact CD1-CB 3.94Å; L234-P247 VanDerWaalsContact CD2-CA 3.43Å; L234-P247 HydrophobicContact CD2-CB 3.59Å; L234-P247 HydrophobicContact CD2-CG 3.85Å; P247-A250 PolarHBondContact O-N 3.29Å; P247-I251 WeakPolarHBondContact O-CG2 3.37Å; P247-I251 PolarHBondContact O-N 3.44Å
248K92.8Very high94.7Very high163 Ų16352.8 Ų52.871%0.70929%0.287SS*.Hα-helixtrans-63.7-41177.5-67.6-173.2176.1-174.10112.4G246 I251 D252G246-K248 PolarHBondContact O-N 3.04Å; K248-I251 WeakPolarHBondContact O-CG2 3.49Å; K248-D252 VanDerWaalsContact O-CG 3.31Å; K248-D252 PolarHBondContact O-N 3.4Å
249R94.8Very high94.9Very high110 Ų11054 Ų5442%0.41530%0.296SS..Hα-helixtrans-76.2-36.1-179.1-172.160.2179.51310.3111.4I245 G246 D252 L253I245-R249 HydrophobicContact CG2-CB 4.29Å; I245-R249 HydrophobicContact CG2-CG 4.38Å; G246-R249 PolarHBondContact O-N 3.05Å; R249-D252 PolarHBondContact O-N 3.31Å; R249-L253 HydrophobicContact CG-CD1 3.9Å; R249-L253 HydrophobicContact CG-CG 4.25Å; R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 VanDerWaalsContact O-CG 3.28Å; R249-L253 WeakPolarHBondContact O-CG 3.44Å; R249-L253 PolarHBondContact O-N 2.87Å
250A96.3Very high95Very high0 Ų052.7 Ų52.70%029%0.287CS..Hα-helixtrans-59.9-46.7178.500000112L230 L233 L234 I245 G246 P247 L253 I254L230-A250 HydrophobicContact CD1-CB 3.84Å; L233-A250 HydrophobicContact CB-CB 4.01Å; L234-A250 HydrophobicContact CD2-CB 4.28Å; I245-A250 HydrophobicContact CG2-CB 4.02Å; G246-A250 PolarHBondContact O-N 2.91Å; P247-A250 PolarHBondContact O-N 3.29Å; A250-L253 PolarHBondContact O-N 3.5Å; A250-I254 WeakPolarHBondContact O-CG1 3.28Å; A250-I254 PolarHBondContact O-N 3.36Å
251I95.4Very high95.2Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-64.5-41.1177.8-172.2170.5000112.4L9 H13 I220 L230 P247 K248 I254 R255L9-I251 HydrophobicContact CD1-CB 4.44Å; L9-I251 HydrophobicContact CD2-CD1 4.49Å; H13-I251 HydrophobicContact CB-CD1 4.4Å; I220-I251 HydrophobicContact CG2-CD1 3.62Å; I220-I251 HydrophobicContact CG2-CG1 4.31Å; L230-I251 HydrophobicContact CD1-CB 4.15Å; P247-I251 WeakPolarHBondContact O-CG2 3.37Å; P247-I251 PolarHBondContact O-N 3.44Å; K248-I251 WeakPolarHBondContact O-CG2 3.49Å; I251-I254 PolarHBondContact O-N 2.91Å; I251-R255 WeakPolarHBondContact O-CB 3.28Å; I251-R255 WeakPolarHBondContact O-CG 3.29Å; I251-R255 PolarHBondContact O-N 3.23Å
252D95.6Very high95.3Very high79 Ų7954.8 Ų54.842%0.42229%0.285SS..Hα-helixtrans-64.1-43.5177.8-68.1-20.4000111.3K248 R249 R255 Q256K248-D252 VanDerWaalsContact O-CG 3.31Å; K248-D252 PolarHBondContact O-N 3.4Å; R249-D252 PolarHBondContact O-N 3.31Å; D252-R255 PolarHBondContact O-N 3.12Å; D252-Q256 VanDerWaalsContact O-CB 3.28Å; D252-Q256 WeakPolarHBondContact O-CB 3.49Å; D252-Q256 PolarHBondContact O-N 3.34Å
253L96.7Very high95.4Very high1 Ų154.7 Ų54.71%0.00528%0.284CS..Hα-helixtrans-63-44.9177.5-76.3171.6000111.7I245 R249 A250 R255 Q256 H257 I263 I267I245-L253 HydrophobicContact CD1-CD1 3.72Å; I245-L253 HydrophobicContact CG2-CD1 4.13Å; R249-L253 HydrophobicContact CG-CD1 3.9Å; R249-L253 HydrophobicContact CG-CG 4.25Å; R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 VanDerWaalsContact O-CG 3.28Å; R249-L253 WeakPolarHBondContact O-CG 3.44Å; R249-L253 PolarHBondContact O-N 2.87Å; A250-L253 PolarHBondContact O-N 3.5Å; L253-R255 VanDerWaalsContact C-N 3.35Å; L253-R255 PolarHBondContact O-N 3.49Å; L253-Q256 PolarHBondContact O-N 3.05Å; L253-H257 WeakPolarHBondContact O-CB 3.49Å; L253-H257 PolarHBondContact O-CD2 3.21Å; L253-H257 PolarHBondContact O-N 3.06Å; L253-I263 HydrophobicContact CB-CD1 3.75Å; L253-I263 HydrophobicContact CB-CG1 4.01Å; L253-I263 HydrophobicContact CB-CG2 4.48Å; L253-I263 HydrophobicContact CD1-CG2 4.12Å; L253-I263 HydrophobicContact CD2-CG2 4.44Å; L253-I267 HydrophobicContact CD1-CG2 4.35Å; L253-I267 HydrophobicContact CD2-CG2 3.88Å
254I97.6Very high95.4Very high0 Ų049.3 Ų49.30%026%0.263CS..Hα-helixtrans-65.3-39177.9-71.3-71.9000111.5L222 Q226 D229 L230 L233 A250 I251 Q256 G258 I263L222-I254 HydrophobicContact CD1-CG2 4.06Å; L222-I254 HydrophobicContact CD2-CG2 3.76Å; Q226-I254 HydrophobicContact CB-CG2 4.03Å; Q226-I254 HydrophobicContact CG-CG2 4.39Å; D229-I254 HydrophobicContact CB-CD1 3.63Å; L230-I254 HydrophobicContact CB-CG1 4.2Å; L230-I254 HydrophobicContact CD1-CG1 4.42Å; L233-I254 HydrophobicContact CD1-CD1 3.62Å; L233-I254 HydrophobicContact CD1-CG1 3.54Å; A250-I254 WeakPolarHBondContact O-CG1 3.28Å; A250-I254 PolarHBondContact O-N 3.36Å; I251-I254 PolarHBondContact O-N 2.91Å; I254-Q256 VanDerWaalsContact C-N 3.3Å; I254-Q256 PolarHBondContact O-N 3.37Å; I254-G258 WeakPolarHBondContact O-CA 3.34Å; I254-G258 PolarHBondContact O-N 3.34Å; I254-I263 HydrophobicContact CD1-CD1 3.59Å; I254-I263 HydrophobicContact CG1-CD1 3.98Å
255R95.7Very high95.6Very high116 Ų11653.3 Ų53.344%0.43826%0.264SS..Hα-helixtrans-65.4-34.9174.8-76.8175169.3167.8-4.9112.7I220 L222 I251 D252 L253I220-R255 PolarHBondContact O-NE 3.43Å; I220-R255 PolarHBondContact O-NH2 3.04Å; L222-R255 HydrophobicContact CD2-CG 4.02Å; I251-R255 WeakPolarHBondContact O-CB 3.28Å; I251-R255 WeakPolarHBondContact O-CG 3.29Å; I251-R255 PolarHBondContact O-N 3.23Å; D252-R255 PolarHBondContact O-N 3.12Å; L253-R255 VanDerWaalsContact C-N 3.35Å; L253-R255 PolarHBondContact O-N 3.49Å
256Q96.4Very high95.6Very high132 Ų13257.1 Ų57.162%0.61728%0.284SS*.Hα-helixtrans-79.1-43-177.7-177177.4-6.700112.5D252 L253 I254D252-Q256 VanDerWaalsContact O-CB 3.28Å; D252-Q256 WeakPolarHBondContact O-CB 3.49Å; D252-Q256 PolarHBondContact O-N 3.34Å; L253-Q256 PolarHBondContact O-N 3.05Å; I254-Q256 VanDerWaalsContact C-N 3.3Å; I254-Q256 PolarHBondContact O-N 3.37Å
257H96.8Very high95.6Very high35 Ų3556.6 Ų56.616%0.16227%0.273CS..Hα-helixtrans-111.4-18.4-168.1-61.9-70000113.3L253 S259 E262 I263 N266L253-H257 WeakPolarHBondContact O-CB 3.49Å; L253-H257 PolarHBondContact O-CD2 3.21Å; L253-H257 PolarHBondContact O-N 3.06Å; H257-S259 PolarHBondContact O-N 2.88Å; H257-S259 VanDerWaalsContact O-N 3.08Å; H257-E262 HydrophobicContact CB-CB 3.86Å; H257-E262 VanDerWaalsContact O-CB 3.31Å; H257-E262 WeakPolarHBondContact O-CB 3.3Å; H257-I263 HydrophobicContact CB-CG1 3.65Å; H257-N266 WeakPolarHBondContact CE1-CB 3.42Å
258G95.7Very high95.5Very high22 Ų2258.1 Ų58.123%0.22728%0.278CS..SBendtrans79.4-25.2172.900000116.2Q226 I254Q226-G258 WeakPolarHBondContact CG-O 3.31Å; I254-G258 WeakPolarHBondContact O-CA 3.34Å; I254-G258 PolarHBondContact O-N 3.34Å
259S97.4Very high95.3Very high29 Ų2954.1 Ų54.120%0.20327%0.268CS..SBendtrans-147.8162.3179.166.80000112.3D229 H257 E261 E262 I263D229-S259 WeakPolarHBondContact OD2-CA 3.38Å; H257-S259 PolarHBondContact O-N 2.88Å; H257-S259 VanDerWaalsContact O-N 3.08Å; S259-E261 VanDerWaalsContact C-N 3.3Å; S259-E261 PolarHBondContact O-N 3.48Å; S259-E262 PolarHBondContact O-N 2.93Å; S259-E262 WeakPolarHBondContact OG-CG 3.22Å; S259-E262 PolarHBondContact OG-N 3.11Å; S259-I263 WeakPolarHBondContact O-CD1 3.47Å; S259-I263 WeakPolarHBondContact O-CG1 3.25Å; S259-I263 PolarHBondContact O-N 2.88Å; S259-I263 VanDerWaalsContact O-N 3.11Å
260I97.3Very high95Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-61.4-38.8174.7-64.5175.4000111.5D229 I232 L233 I263 L264 W278 Y280D229-I260 HydrophobicContact CB-CD1 4.14Å; D229-I260 HydrophobicContact CB-CG1 3.86Å; D229-I260 PolarHBondContact OD2-N 3.39Å; I232-I260 HydrophobicContact CB-CD1 3.89Å; I232-I260 HydrophobicContact CD1-CD1 4.3Å; I232-I260 HydrophobicContact CG2-CD1 3.63Å; L233-I260 HydrophobicContact CD1-CG1 4.48Å; L233-I260 HydrophobicContact CD2-CG1 4.35Å; L233-I260 HydrophobicContact CG-CD1 4.45Å; L233-I260 HydrophobicContact CG-CG1 4.19Å; I260-I263 WeakPolarHBondContact O-CB 3.49Å; I260-I263 PolarHBondContact O-N 2.8Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.29Å; I260-L264 WeakPolarHBondContact O-CG 3.25Å; I260-L264 PolarHBondContact O-N 3Å; I260-W278 HydrophobicContact CD1-CH2 4.27Å; I260-W278 HydrophobicContact CG2-CE3 4.41Å; I260-W278 HydrophobicContact CG2-CH2 3.62Å; I260-W278 HydrophobicContact CG2-CZ3 3.45Å; I260-W278 VanDerWaalsContact CG2-CZ3 3.45Å; I260-Y280 HydrophobicContact CB-CD2 3.9Å; I260-Y280 HydrophobicContact CB-CE2 3.88Å; I260-Y280 HydrophobicContact CD1-CD2 3.89Å; I260-Y280 HydrophobicContact CD1-CG 4.29Å; I260-Y280 HydrophobicContact CG1-CD2 4.49Å; I260-Y280 HydrophobicContact CG2-CD1 4.24Å; I260-Y280 HydrophobicContact CG2-CD2 3.67Å; I260-Y280 HydrophobicContact CG2-CE1 4.25Å; I260-Y280 HydrophobicContact CG2-CE2 3.68Å; I260-Y280 HydrophobicContact CG2-CG 3.95Å
261E96.5Very high94.8Very high48 Ų4863 Ų6322%0.22432%0.316CS..Hα-helixtrans-55.1-55.1177-72.178.1176.500111.4S259 I263 L264 E265 Y280 K281 R284S259-E261 VanDerWaalsContact C-N 3.3Å; S259-E261 PolarHBondContact O-N 3.48Å; E261-I263 VanDerWaalsContact C-N 3.27Å; E261-I263 PolarHBondContact O-N 2.96Å; E261-L264 PolarHBondContact O-N 3.42Å; E261-L264 VanDerWaalsContact O-N 3.12Å; E261-E265 PolarHBondContact O-N 3.05Å; E261-Y280 HydrophobicContact CG-CE2 4.41Å; E261-Y280 WeakPolarHBondContact CG-OH 3.42Å; E261-Y280 WeakPolarHBondContact OE1-CE2 3.31Å; E261-K281 WeakPolarHBondContact OE1-CE 3.43Å; E261-R284 IonicContact OE1-CZ 3.23Å; E261-R284 IonicContact OE1-NH1 4Å; E261-R284 PolarHBondContact OE1-NH1 2.98Å; E261-R284 IonicContact OE1-NH2 3.51Å; E261-R284 IonicContact OE2-CZ 3.7Å; E261-R284 IonicContact OE2-NH1 2.77Å; E261-R284 PolarHBondContact OE2-NH1 3.32Å; E261-R284 IonicContact OE2-NH2 3.24Å; E261-R284 PolarHBondContact OE2-NH2 3.48Å
262E96.9Very high94.6Very high86 Ų8664.6 Ų64.640%0.40232%0.324SS..Hα-helixtrans-64.8-32.9-179.5-70.5-70160.200111.8H257 S259 E265 N266H257-E262 HydrophobicContact CB-CB 3.86Å; H257-E262 VanDerWaalsContact O-CB 3.31Å; H257-E262 WeakPolarHBondContact O-CB 3.3Å; S259-E262 PolarHBondContact O-N 2.93Å; S259-E262 WeakPolarHBondContact OG-CG 3.22Å; S259-E262 PolarHBondContact OG-N 3.11Å; E262-E265 PolarHBondContact O-N 2.99Å; E262-N266 WeakPolarHBondContact O-CB 3.16Å; E262-N266 PolarHBondContact O-N 3.04Å; E262-N266 PolarHBondContact O-ND2 3.28Å
263I96.3Very high94.5Very high0 Ų063.6 Ų63.60%032%0.322CS..Hα-helixtrans-62.4-47.8173.5-70.4167.4000110.2L233 L253 I254 H257 S259 I260 E261 E265 N266 I267L233-I263 HydrophobicContact CD1-CD1 3.64Å; L253-I263 HydrophobicContact CB-CD1 3.75Å; L253-I263 HydrophobicContact CB-CG1 4.01Å; L253-I263 HydrophobicContact CB-CG2 4.48Å; L253-I263 HydrophobicContact CD1-CG2 4.12Å; L253-I263 HydrophobicContact CD2-CG2 4.44Å; I254-I263 HydrophobicContact CD1-CD1 3.59Å; I254-I263 HydrophobicContact CG1-CD1 3.98Å; H257-I263 HydrophobicContact CB-CG1 3.65Å; S259-I263 WeakPolarHBondContact O-CD1 3.47Å; S259-I263 WeakPolarHBondContact O-CG1 3.25Å; S259-I263 PolarHBondContact O-N 2.88Å; S259-I263 VanDerWaalsContact O-N 3.11Å; I260-I263 WeakPolarHBondContact O-CB 3.49Å; I260-I263 PolarHBondContact O-N 2.8Å; E261-I263 VanDerWaalsContact C-N 3.27Å; E261-I263 PolarHBondContact O-N 2.96Å; I263-E265 PolarHBondContact O-N 3.4Å; I263-N266 PolarHBondContact O-N 2.84Å; I263-N266 VanDerWaalsContact O-N 3.08Å; I263-I267 HydrophobicContact CG2-CD1 4.2Å; I263-I267 HydrophobicContact CG2-CG2 3.75Å; I263-I267 WeakPolarHBondContact O-CG1 3.19Å; I263-I267 VanDerWaalsContact O-CG2 3.31Å; I263-I267 WeakPolarHBondContact O-CG2 3.43Å; I263-I267 PolarHBondContact O-N 2.85Å
264L94.6Very high94.2Very high44 Ų4465.4 Ų65.423%0.2334%0.337CS..Hα-helixtrans-62.5-31.9-177.8-70.3172.1000112.7I242 I260 E261 N266 I267 A274 W278 Y280I242-L264 HydrophobicContact CD1-CD2 3.95Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.29Å; I260-L264 WeakPolarHBondContact O-CG 3.25Å; I260-L264 PolarHBondContact O-N 3Å; E261-L264 PolarHBondContact O-N 3.42Å; E261-L264 VanDerWaalsContact O-N 3.12Å; L264-N266 VanDerWaalsContact C-N 3.34Å; L264-I267 HydrophobicContact CD2-CD1 4.32Å; L264-A274 HydrophobicContact CD2-CB 3.85Å; L264-W278 HydrophobicContact CD1-CE3 4.28Å; L264-W278 HydrophobicContact CD1-CZ3 4.14Å; L264-W278 HydrophobicContact CD2-CZ3 4.14Å; L264-W278 HydrophobicContact CG-CZ3 4.44Å; L264-Y280 HydrophobicContact CD1-CE1 3.95Å
265E94.3Very high94Very high150 Ų15067.6 Ų67.670%0.70135%0.351SS*.Hα-helixtrans-73.6-24.8176.2-67.6-176.8-173.800113.3E261 E262 I263E261-E265 PolarHBondContact O-N 3.05Å; E262-E265 PolarHBondContact O-N 2.99Å; I263-E265 PolarHBondContact O-N 3.4Å
266N93.8Very high93.7Very high96 Ų9670.7 Ų70.751%0.51337%0.37SS..Hα-helixtrans-111.7-6.9-170.8-73.1-84.5000114.8H257 E262 I263 L264H257-N266 WeakPolarHBondContact CE1-CB 3.42Å; E262-N266 WeakPolarHBondContact O-CB 3.16Å; E262-N266 PolarHBondContact O-N 3.04Å; E262-N266 PolarHBondContact O-ND2 3.28Å; I263-N266 PolarHBondContact O-N 2.84Å; I263-N266 VanDerWaalsContact O-N 3.08Å; L264-N266 VanDerWaalsContact C-N 3.34Å
267I93Very high93.4Very high23 Ų2371.1 Ų71.112%0.11838%0.377CS..SBendtrans-93.5154.9176.566.1175.3000112.5I242 I245 L253 I263 L264 T269 H272I242-I267 HydrophobicContact CD1-CD1 4.1Å; I242-I267 HydrophobicContact CG2-CD1 4.39Å; I245-I267 HydrophobicContact CD1-CD1 4.25Å; L253-I267 HydrophobicContact CD1-CG2 4.35Å; L253-I267 HydrophobicContact CD2-CG2 3.88Å; I263-I267 HydrophobicContact CG2-CD1 4.2Å; I263-I267 HydrophobicContact CG2-CG2 3.75Å; I263-I267 WeakPolarHBondContact O-CG1 3.19Å; I263-I267 VanDerWaalsContact O-CG2 3.31Å; I263-I267 WeakPolarHBondContact O-CG2 3.43Å; I263-I267 PolarHBondContact O-N 2.85Å; L264-I267 HydrophobicContact CD2-CD1 4.32Å; I267-T269 PolarHBondContact O-N 3.47Å; I267-T269 VanDerWaalsContact O-N 3.08Å; I267-H272 HydrophobicContact CD1-CB 4.17Å
268D91.4Very high93.3Very high86 Ų8670.7 Ų70.746%0.4637%0.374SS..  trans-71.9100.2168.9179.22000110.3N270 K271 H272D268-N270 PolarHBondContact O-N 3.4Å; D268-N270 WeakPolarHBondContact OD1-CB 3.48Å; D268-N270 PolarHBondContact OD1-N 2.94Å; D268-K271 HydrophobicContact CB-CB 4.26Å; D268-K271 PolarHBondContact O-N 3.26Å; D268-K271 PolarHBondContact OD1-N 3.15Å; D268-H272 PolarHBondContact O-N 2.99Å
269T88.6Confident93.3Very high80 Ų8073.4 Ų73.449%0.49138%0.383SS..THydrogen-bonded Turntrans-66.1-21.1-17953.40000113.4I267 H272 P273I267-T269 PolarHBondContact O-N 3.47Å; I267-T269 VanDerWaalsContact O-N 3.08Å; T269-H272 CarbonylContact O-C 3.55Å; T269-P273 VanDerWaalsContact O-CA 3.3Å; T269-P273 WeakPolarHBondContact O-CA 3.37Å
270N89.1Confident93.2Very high148 Ų14873.1 Ų73.179%0.79138%0.377SS*.THydrogen-bonded Turntrans-72.9-39175.1-60.3-57.9000111.1D268D268-N270 PolarHBondContact O-N 3.4Å; D268-N270 WeakPolarHBondContact OD1-CB 3.48Å; D268-N270 PolarHBondContact OD1-N 2.94Å
271K91.4Very high93.2Very high147 Ų14778.4 Ų78.464%0.63940%0.4SS*.THydrogen-bonded Turntrans-80.9-36178.2-173.1178.4178.2179.30112.3D268 P273D268-K271 HydrophobicContact CB-CB 4.26Å; D268-K271 PolarHBondContact O-N 3.26Å; D268-K271 PolarHBondContact OD1-N 3.15Å; K271-P273 VanDerWaalsContact C-CD 3.42Å; K271-P273 WeakPolarHBondContact O-CD 3.24Å
272H91.7Very high93.2Very high34 Ų3480.4 Ų80.416%0.15741%0.41CS..SBendtrans-124.168.6-176.1-63.6-63.6000110.5I242 K243 I245 I267 D268 T269 A274I242-H272 HydrophobicContact CG2-CB 3.89Å; K243-H272 PolarHBondContact O-ND1 3.33Å; K243-H272 VanDerWaalsContact O-ND1 3.12Å; I245-H272 HydrophobicContact CD1-CB 4.41Å; I245-H272 HydrophobicContact CG1-CB 4.45Å; I267-H272 HydrophobicContact CD1-CB 4.17Å; D268-H272 PolarHBondContact O-N 2.99Å; T269-H272 CarbonylContact O-C 3.55Å; H272-A274 PolarHBondContact O-N 3.22Å
273P92.4Very high93.2Very high59 Ų5976.3 Ų76.338%0.38339%0.391SS..PPolyproline II helixtrans-64.8129178.827.1-34.1000109.8K243 T269 K271K243-P273 HydrophobicContact CB-CG 4.49Å; K243-P273 PolarHBondContact N-O 2.86Å; T269-P273 VanDerWaalsContact O-CA 3.3Å; T269-P273 WeakPolarHBondContact O-CA 3.37Å; K271-P273 VanDerWaalsContact C-CD 3.42Å; K271-P273 WeakPolarHBondContact O-CD 3.24Å
274A92.2Very high93.3Very high39 Ų3978.1 Ų78.132%0.32240%0.398SS..PPolyproline II helixtrans-70.9154.8167.100000109.8L264 H272 W278L264-A274 HydrophobicContact CD2-CB 3.85Å; H272-A274 PolarHBondContact O-N 3.22Å; A274-W278 HydrophobicContact CB-CE3 4.09Å
275P92.6Very high93.4Very high45 Ų4580.1 Ų80.129%0.29241%0.408SS..PPolyproline II helixtrans-55.5145.9169.9-22.333000111.6T241 W278T241-P275 WeakPolarHBondContact O-CG 3.27Å; P275-W278 HydrophobicContact CB-CB 4.06Å; P275-W278 HydrophobicContact CB-CG 4.17Å; P275-W278 HydrophobicContact CG-CB 4.39Å; P275-W278 HydrophobicContact CG-CD2 4.35Å; P275-W278 HydrophobicContact CG-CG 4Å; P275-W278 WeakPolarHBondContact O-CB 3.37Å
276E88.8Confident93.6Very high181 Ų18174.3 Ų74.385%0.84638%0.382SS*.THydrogen-bonded Turntrans-64.1140.4168-168.3171.2-166.100109.4W278E276-W278 PolarHBondContact O-N 3.35Å
277D89.9Confident93.7Very high141 Ų14169.9 Ų69.975%0.75436%0.358SS*.THydrogen-bonded Turntrans47.244-176.1-61.3-34.3000113.8L279D277-L279 WeakPolarHBondContact O-CG 3.5Å; D277-L279 PolarHBondContact O-N 3.2Å
278W94.5Very high93.9Very high26 Ų2672.1 Ų72.110%0.09837%0.37CS..  trans-64107.4-173.9-171.224.2000112.8I232 L233 G240 I242 I260 L264 A274 P275 E276 Y280I232-W278 HydrophobicContact CG2-CZ2 3.82Å; L233-W278 HydrophobicContact CD2-CH2 3.9Å; G240-W278 PolarHBondContact O-NE1 3.42Å; I242-W278 HydrophobicContact CD1-CH2 3.84Å; I242-W278 HydrophobicContact CD1-CZ3 3.76Å; I242-W278 HydrophobicContact CG1-CE3 4.44Å; I242-W278 HydrophobicContact CG1-CH2 3.59Å; I242-W278 HydrophobicContact CG1-CZ2 4.35Å; I242-W278 HydrophobicContact CG1-CZ3 3.62Å; I260-W278 HydrophobicContact CD1-CH2 4.27Å; I260-W278 HydrophobicContact CG2-CE3 4.41Å; I260-W278 HydrophobicContact CG2-CH2 3.62Å; I260-W278 HydrophobicContact CG2-CZ3 3.45Å; I260-W278 VanDerWaalsContact CG2-CZ3 3.45Å; L264-W278 HydrophobicContact CD1-CE3 4.28Å; L264-W278 HydrophobicContact CD1-CZ3 4.14Å; L264-W278 HydrophobicContact CD2-CZ3 4.14Å; L264-W278 HydrophobicContact CG-CZ3 4.44Å; A274-W278 HydrophobicContact CB-CE3 4.09Å; P275-W278 HydrophobicContact CB-CB 4.06Å; P275-W278 HydrophobicContact CB-CG 4.17Å; P275-W278 HydrophobicContact CG-CB 4.39Å; P275-W278 HydrophobicContact CG-CD2 4.35Å; P275-W278 HydrophobicContact CG-CG 4Å; P275-W278 WeakPolarHBondContact O-CB 3.37Å; E276-W278 PolarHBondContact O-N 3.35Å; W278-Y280 HydrophobicContact CB-CD1 4.27Å; W278-Y280 AromaticContact CD2-CD1 3.63Å; W278-Y280 HydrophobicContact CD2-CD1 3.63Å; W278-Y280 HydrophobicContact CD2-CG 4.15Å; W278-Y280 AromaticContact CE3-CD1 3.51Å; W278-Y280 HydrophobicContact CE3-CD1 3.51Å; W278-Y280 HydrophobicContact CE3-CE1 4.12Å; W278-Y280 HydrophobicContact CE3-CG 4.18Å; W278-Y280 AromaticContact CG-CD1 3.97Å; W278-Y280 HydrophobicContact CG-CD1 3.97Å; W278-Y280 HydrophobicContact CZ3-CD1 4.05Å; W278-Y280 HydrophobicContact CZ3-CG 4.39Å; W278-Y280 VanDerWaalsContact O-CD1 3.28Å; W278-Y280 WeakPolarHBondContact O-CD1 3.47Å; W278-Y280 PolarHBondContact O-N 3.47Å
279L95.7Very high94.1Very high79 Ų7975.6 Ų75.641%0.41438%0.381SS..  trans-76.139.5-178.9-56178.6000114.4L92 D277 K281 E282 A283L92-L279 HydrophobicContact CD2-CB 4.15Å; L92-L279 HydrophobicContact CD2-CD1 3.7Å; D277-L279 WeakPolarHBondContact O-CG 3.5Å; D277-L279 PolarHBondContact O-N 3.2Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 2.97Å; L279-E282 WeakPolarHBondContact CA-OE2 3.38Å; L279-E282 HydrophobicContact CB-CB 4.37Å; L279-A283 WeakPolarHBondContact O-CB 3.46Å; L279-A283 PolarHBondContact O-N 2.88Å
280Y96.7Very high94.5Very high23 Ų2373.1 Ų73.19%0.0937%0.367CS..Hα-helixtrans-68.9-30.1-178.171.2-91.4000112.6I260 E261 L264 W278 R284I260-Y280 HydrophobicContact CB-CD2 3.9Å; I260-Y280 HydrophobicContact CB-CE2 3.88Å; I260-Y280 HydrophobicContact CD1-CD2 3.89Å; I260-Y280 HydrophobicContact CD1-CG 4.29Å; I260-Y280 HydrophobicContact CG1-CD2 4.49Å; I260-Y280 HydrophobicContact CG2-CD1 4.24Å; I260-Y280 HydrophobicContact CG2-CD2 3.67Å; I260-Y280 HydrophobicContact CG2-CE1 4.25Å; I260-Y280 HydrophobicContact CG2-CE2 3.68Å; I260-Y280 HydrophobicContact CG2-CG 3.95Å; E261-Y280 HydrophobicContact CG-CE2 4.41Å; E261-Y280 WeakPolarHBondContact CG-OH 3.42Å; E261-Y280 WeakPolarHBondContact OE1-CE2 3.31Å; L264-Y280 HydrophobicContact CD1-CE1 3.95Å; W278-Y280 HydrophobicContact CB-CD1 4.27Å; W278-Y280 AromaticContact CD2-CD1 3.63Å; W278-Y280 HydrophobicContact CD2-CD1 3.63Å; W278-Y280 HydrophobicContact CD2-CG 4.15Å; W278-Y280 AromaticContact CE3-CD1 3.51Å; W278-Y280 HydrophobicContact CE3-CD1 3.51Å; W278-Y280 HydrophobicContact CE3-CE1 4.12Å; W278-Y280 HydrophobicContact CE3-CG 4.18Å; W278-Y280 AromaticContact CG-CD1 3.97Å; W278-Y280 HydrophobicContact CG-CD1 3.97Å; W278-Y280 HydrophobicContact CZ3-CD1 4.05Å; W278-Y280 HydrophobicContact CZ3-CG 4.39Å; W278-Y280 VanDerWaalsContact O-CD1 3.28Å; W278-Y280 WeakPolarHBondContact O-CD1 3.47Å; W278-Y280 PolarHBondContact O-N 3.47Å; Y280-R284 VanDerWaalsContact O-CB 3.3Å; Y280-R284 WeakPolarHBondContact O-CB 3.39Å; Y280-R284 PolarHBondContact O-N 2.94Å
281K97.3Very high94.9Very high111 Ų11172.3 Ų72.348%0.48336%0.358SS..Hα-helixtrans-69.3-41.2178.8-65.5-175.3-179.6179.80111E261 L279 R284 N285E261-K281 WeakPolarHBondContact OE1-CE 3.43Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 2.97Å; K281-R284 PolarHBondContact O-N 3.32Å; K281-N285 WeakPolarHBondContact O-CB 3.47Å; K281-N285 PolarHBondContact O-N 2.81Å
282E97.1Very high95.1Very high91 Ų9167.6 Ų67.643%0.42534%0.342SS..Hα-helixtrans-67-43.8176.1-63.176.9-175.900110.3L92 L279 N285 L286L92-E282 HydrophobicContact CD1-CB 3.85Å; L92-E282 HydrophobicContact CD2-CB 3.96Å; L279-E282 WeakPolarHBondContact CA-OE2 3.38Å; L279-E282 HydrophobicContact CB-CB 4.37Å; E282-N285 PolarHBondContact O-N 2.95Å; E282-L286 PolarHBondContact O-N 3.15Å
283A96.8Very high95.3Very high0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-61.8-43.1173.700000112I232 C239 L279 N285 L286 F287I232-A283 HydrophobicContact CD1-CB 4.32Å; C239-A283 HydrophobicContact CB-CB 4.15Å; L279-A283 WeakPolarHBondContact O-CB 3.46Å; L279-A283 PolarHBondContact O-N 2.88Å; A283-N285 PolarHBondContact O-N 3.49Å; A283-L286 WeakPolarHBondContact O-CB 3.28Å; A283-L286 PolarHBondContact O-N 3.03Å; A283-F287 WeakPolarHBondContact O-CD2 3.29Å; A283-F287 PolarHBondContact O-N 3.43Å; A283-F287 VanDerWaalsContact O-N 3.09Å
284R97.7Very high95.4Very high37 Ų3768.6 Ų68.614%0.1435%0.346CS..Hα-helixtrans-59.1-46.7173.7-176.5-166.1-65.9145.5-8.6111.1I228 D229 I232 E261 Y280 K281 L286 F287 L288I228-R284 HydrophobicContact CG2-CB 4.43Å; I228-R284 HydrophobicContact CG2-CG 4.05Å; D229-R284 IonicContact OD1-CZ 3.69Å; D229-R284 VanDerWaalsContact OD1-CZ 3.24Å; D229-R284 IonicContact OD1-NE 3.43Å; D229-R284 PolarHBondContact OD1-NE 3.04Å; D229-R284 IonicContact OD1-NH2 3.55Å; D229-R284 PolarHBondContact OD1-NH2 3.48Å; D229-R284 IonicContact OD2-CZ 3.69Å; D229-R284 IonicContact OD2-NE 2.92Å; D229-R284 IonicContact OD2-NH2 2.71Å; D229-R284 PolarHBondContact OD2-NH2 3.19Å; I232-R284 HydrophobicContact CD1-CB 3.85Å; E261-R284 IonicContact OE1-CZ 3.23Å; E261-R284 IonicContact OE1-NH1 4Å; E261-R284 PolarHBondContact OE1-NH1 2.98Å; E261-R284 IonicContact OE1-NH2 3.51Å; E261-R284 IonicContact OE2-CZ 3.7Å; E261-R284 IonicContact OE2-NH1 2.77Å; E261-R284 PolarHBondContact OE2-NH1 3.32Å; E261-R284 IonicContact OE2-NH2 3.24Å; E261-R284 PolarHBondContact OE2-NH2 3.48Å; Y280-R284 VanDerWaalsContact O-CB 3.3Å; Y280-R284 WeakPolarHBondContact O-CB 3.39Å; Y280-R284 PolarHBondContact O-N 2.94Å; K281-R284 PolarHBondContact O-N 3.32Å; R284-L286 VanDerWaalsContact C-N 3.32Å; R284-L286 PolarHBondContact O-N 3.36Å; R284-F287 PolarHBondContact O-N 3.25Å; R284-L288 HydrophobicContact CG-CD1 3.89Å; R284-L288 HydrophobicContact CG-CG 4.45Å; R284-L288 WeakPolarHBondContact O-CG 3.43Å; R284-L288 PolarHBondContact O-N 2.97Å
285N97.5Very high95.3Very high86 Ų8666.8 Ų66.846%0.4633%0.33SS..Hα-helixtrans-64.2-36.7178.2-175.468.8000112.1K281 E282 A283 F287 L288 K289K281-N285 WeakPolarHBondContact O-CB 3.47Å; K281-N285 PolarHBondContact O-N 2.81Å; E282-N285 PolarHBondContact O-N 2.95Å; A283-N285 PolarHBondContact O-N 3.49Å; N285-F287 VanDerWaalsContact C-N 3.34Å; N285-F287 PolarHBondContact O-N 2.86Å; N285-L288 PolarHBondContact O-N 2.83Å; N285-K289 PolarHBondContact O-N 2.86Å
286L96.8Very high95.2Very high28 Ų2868.6 Ų68.615%0.14734%0.344CS..Hα-helixtrans-59.1-44173.3-178.176.7000111.6P90 L92 Y238 E282 A283 R284 K289 P290P90-L286 HydrophobicContact CB-CD1 3.96Å; P90-L286 HydrophobicContact CB-CD2 4.3Å; P90-L286 HydrophobicContact CG-CD1 4.41Å; P90-L286 HydrophobicContact CG-CD2 4.06Å; L92-L286 HydrophobicContact CD1-CB 4.26Å; L92-L286 HydrophobicContact CD1-CD2 4.33Å; Y238-L286 HydrophobicContact CD1-CD2 3.3Å; Y238-L286 HydrophobicContact CD2-CD2 3.94Å; Y238-L286 HydrophobicContact CE1-CD2 3.45Å; Y238-L286 VanDerWaalsContact CE1-CD2 3.45Å; Y238-L286 HydrophobicContact CE2-CD2 4.08Å; Y238-L286 HydrophobicContact CG-CD2 3.55Å; E282-L286 PolarHBondContact O-N 3.15Å; A283-L286 WeakPolarHBondContact O-CB 3.28Å; A283-L286 PolarHBondContact O-N 3.03Å; R284-L286 VanDerWaalsContact C-N 3.32Å; R284-L286 PolarHBondContact O-N 3.36Å; L286-K289 CarbonylContact O-C 3.48Å; L286-P290 VanDerWaalsContact O-CA 3.24Å; L286-P290 WeakPolarHBondContact O-CA 3.44Å; L286-P290 WeakPolarHBondContact O-CB 3.45Å; L286-P290 WeakPolarHBondContact O-CD 3.15Å; L286-P290 VanDerWaalsContact O-N 3.1Å
287F97.3Very high95.3Very high3 Ų364.8 Ų64.81%0.01333%0.334CS..Hα-helixtrans-69.5-37.9177-72.8-57.8000113.4I3 D185 T188 F189 I228 I232 C236 Y238 A283 R284 N285I3-F287 HydrophobicContact CD1-CZ 4.21Å; D185-F287 HydrophobicContact CB-CE1 4.4Å; T188-F287 WeakPolarHBondContact OG1-CD1 3.46Å; T188-F287 WeakPolarHBondContact OG1-CE1 3.48Å; F189-F287 AromaticContact CD1-CD1 3.9Å; F189-F287 HydrophobicContact CD1-CD1 3.9Å; F189-F287 AromaticContact CE1-CD1 3.58Å; F189-F287 HydrophobicContact CE1-CD1 3.58Å; F189-F287 HydrophobicContact CE1-CE1 4.14Å; F189-F287 HydrophobicContact CE2-CD1 4.27Å; F189-F287 HydrophobicContact CE2-CE1 4.14Å; F189-F287 HydrophobicContact CG-CD1 4.38Å; F189-F287 AromaticContact CZ-CD1 3.79Å; F189-F287 HydrophobicContact CZ-CD1 3.79Å; F189-F287 AromaticContact CZ-CE1 3.86Å; F189-F287 HydrophobicContact CZ-CE1 3.86Å; I228-F287 HydrophobicContact CD1-CB 3.99Å; I228-F287 HydrophobicContact CG1-CB 4.18Å; I228-F287 HydrophobicContact CG2-CB 3.85Å; I228-F287 HydrophobicContact CG2-CD2 3.79Å; I228-F287 HydrophobicContact CG2-CG 4.17Å; I232-F287 HydrophobicContact CG1-CD2 4.44Å; I232-F287 HydrophobicContact CG1-CE2 4.18Å; C236-F287 HydrophobicContact CB-CE2 4.2Å; C236-F287 HydrophobicContact CB-CZ 4.01Å; Y238-F287 AromaticContact CD2-CE1 3.91Å; Y238-F287 HydrophobicContact CD2-CE1 3.91Å; Y238-F287 AromaticContact CD2-CE2 3.81Å; Y238-F287 HydrophobicContact CD2-CE2 3.81Å; Y238-F287 AromaticContact CD2-CZ 3.33Å; Y238-F287 HydrophobicContact CD2-CZ 3.33Å; Y238-F287 HydrophobicContact CE2-CD1 4.43Å; Y238-F287 AromaticContact CE2-CE1 3.42Å; Y238-F287 HydrophobicContact CE2-CE1 3.42Å; Y238-F287 VanDerWaalsContact CE2-CE1 3.42Å; Y238-F287 HydrophobicContact CE2-CE2 4.2Å; Y238-F287 AromaticContact CE2-CZ 3.3Å; Y238-F287 HydrophobicContact CE2-CZ 3.3Å; A283-F287 WeakPolarHBondContact O-CD2 3.29Å; A283-F287 PolarHBondContact O-N 3.43Å; A283-F287 VanDerWaalsContact O-N 3.09Å; R284-F287 PolarHBondContact O-N 3.25Å; N285-F287 VanDerWaalsContact C-N 3.34Å; N285-F287 PolarHBondContact O-N 2.86Å
288L96.6Very high95.5Very high71 Ų7159 Ų5937%0.37230%0.304SS..Hα-helixtrans-73.6-39-179.7-72.5172.5000112.8E225 I228 R284 N285 P290E225-L288 HydrophobicContact CG-CD2 4.16Å; I228-L288 HydrophobicContact CD1-CD2 3.46Å; I228-L288 VanDerWaalsContact CD1-CD2 3.46Å; I228-L288 HydrophobicContact CD1-CG 3.88Å; R284-L288 HydrophobicContact CG-CD1 3.89Å; R284-L288 HydrophobicContact CG-CG 4.45Å; R284-L288 WeakPolarHBondContact O-CG 3.43Å; R284-L288 PolarHBondContact O-N 2.97Å; N285-L288 PolarHBondContact O-N 2.83Å; L288-P290 VanDerWaalsContact C-CD 3.45Å
289K96.2Very high95.4Very high158 Ų15862.9 Ų62.969%0.68733%0.326SS*.SBendtrans-132.163.8-175.2-62.7180-176.5173.80110.3N285 L286N285-K289 PolarHBondContact O-N 2.86Å; L286-K289 CarbonylContact O-C 3.48Å
290P96.3Very high95.4Very high29 Ų2960.3 Ų60.319%0.18831%0.312CS..  trans-68.3150.4177.529.5-35.2000110.7A165 F189 L286 L288 V292A165-P290 HydrophobicContact CB-CB 3.85Å; A165-P290 HydrophobicContact CB-CG 4.24Å; F189-P290 HydrophobicContact CD1-CB 3.87Å; F189-P290 HydrophobicContact CD1-CG 3.9Å; F189-P290 HydrophobicContact CE1-CB 3.86Å; F189-P290 HydrophobicContact CE1-CG 4.39Å; L286-P290 VanDerWaalsContact O-CA 3.24Å; L286-P290 WeakPolarHBondContact O-CA 3.44Å; L286-P290 WeakPolarHBondContact O-CB 3.45Å; L286-P290 WeakPolarHBondContact O-CD 3.15Å; L286-P290 VanDerWaalsContact O-N 3.1Å; L288-P290 VanDerWaalsContact C-CD 3.45Å; P290-V292 HydrophobicContact CB-CG1 3.9Å; P290-V292 HydrophobicContact CG-CG1 3.74Å; P290-V292 PolarHBondContact O-N 3.5Å
291E96.8Very high95.3Very high130 Ų13064.7 Ų64.761%0.60733%0.332SS*.  trans-74.2114.2166-164.6-177.8168.800108.4P160 C161P160-E291 HydrophobicContact CB-CG 3.84Å; P160-E291 HydrophobicContact CG-CB 4.42Å; P160-E291 HydrophobicContact CG-CG 3.82Å; C161-E291 HydrophobicContact CB-CB 4.18Å
292V97.3Very high95.2Very high49 Ų4961.2 Ų61.230%0.29732%0.316SS..  trans-133.6161.7-173.5-64.70000111.2P160 A165 A169 P290P160-V292 VanDerWaalsContact CG-C 3.49Å; A165-V292 HydrophobicContact CB-CG1 3.81Å; A165-V292 WeakPolarHBondContact O-CG1 3.13Å; A169-V292 HydrophobicContact CB-CB 4.04Å; A169-V292 HydrophobicContact CB-CG1 4.31Å; A169-V292 HydrophobicContact CB-CG2 3.89Å; P290-V292 HydrophobicContact CB-CG1 3.9Å; P290-V292 HydrophobicContact CG-CG1 3.74Å; P290-V292 PolarHBondContact O-N 3.5Å
293V95.5Very high95.1Very high23 Ų2365.2 Ų65.214%0.13933%0.327CS..  trans-57.8140.4173670000111.4I157 S166 L170 S295 V298I157-V293 HydrophobicContact CG2-CB 4.25Å; I157-V293 HydrophobicContact CG2-CG1 4.39Å; I157-V293 HydrophobicContact CG2-CG2 3.97Å; S166-V293 PolarHBondContact OG-N 3.36Å; L170-V293 HydrophobicContact CD2-CG1 4.43Å; L170-V293 HydrophobicContact CG-CG1 4.41Å; V293-S295 PolarHBondContact O-N 3.23Å; V293-V298 HydrophobicContact CG1-CG2 4.4Å; V293-V298 HydrophobicContact CG2-CG2 3.73Å
294D94.1Very high94.9Very high91 Ų9172.1 Ų72.149%0.48736%0.36SS..  trans-7197.3167.6-178.9-3.7000109.6S296 T297D294-S296 PolarHBondContact O-N 3.25Å; D294-S296 VanDerWaalsContact O-N 3.15Å; D294-S296 VanDerWaalsContact OD1-CB 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.34Å; D294-S296 PolarHBondContact OD1-N 3.25Å; D294-S296 PolarHBondContact OD1-OG 3.01Å; D294-S296 PolarHBondContact OD2-OG 3.33Å; D294-T297 HydrophobicContact CB-CG2 4.28Å; D294-T297 PolarHBondContact O-N 3.37Å; D294-T297 VanDerWaalsContact O-N 3.09Å; D294-T297 PolarHBondContact O-OG1 3.23Å
295S90.6Very high94.8Very high0 Ų071.2 Ų71.20%036%0.358CS..THydrogen-bonded Turntrans-63.2-17.2-177.5-68.60000113.5L170 E173 K175 V293 T297 V298L170-S295 WeakPolarHBondContact CD2-OG 3.07Å; E173-S295 VanDerWaalsContact OE1-CB 3.31Å; E173-S295 WeakPolarHBondContact OE1-CB 3.08Å; E173-S295 WeakPolarHBondContact OE2-CB 3.19Å; K175-S295 WeakPolarHBondContact CE-O 3.48Å; K175-S295 PolarHBondContact NZ-O 2.9Å; V293-S295 PolarHBondContact O-N 3.23Å; S295-T297 VanDerWaalsContact C-N 3.31Å; S295-V298 PolarHBondContact O-N 3Å
296S89.9Confident94.8Very high84 Ų8471.1 Ų71.159%0.58736%0.358SS*.THydrogen-bonded Turntrans-67.1-34.2173.776.40000112.1D294 V298D294-S296 PolarHBondContact O-N 3.25Å; D294-S296 VanDerWaalsContact O-N 3.15Å; D294-S296 VanDerWaalsContact OD1-CB 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.34Å; D294-S296 PolarHBondContact OD1-N 3.25Å; D294-S296 PolarHBondContact OD1-OG 3.01Å; D294-S296 PolarHBondContact OD2-OG 3.33Å; S296-V298 VanDerWaalsContact C-N 3.33Å
297T91.4Very high94.8Very high101 Ų10172.1 Ų72.162%0.6236%0.362SS*.THydrogen-bonded Turntrans-81.7-13.4179.269.30000113.4D294 S295 D299D294-T297 HydrophobicContact CB-CG2 4.28Å; D294-T297 PolarHBondContact O-N 3.37Å; D294-T297 VanDerWaalsContact O-N 3.09Å; D294-T297 PolarHBondContact O-OG1 3.23Å; S295-T297 VanDerWaalsContact C-N 3.31Å; T297-D299 PolarHBondContact O-N 3.21Å
298V92.9Very high94.7Very high20 Ų2077.6 Ų77.612%0.12139%0.387CS..  trans-78.7110.9-175176.20000110.8I157 L170 V293 S295 S296 L300I157-V298 HydrophobicContact CD1-CG1 3.65Å; I157-V298 HydrophobicContact CD1-CG2 4.17Å; L170-V298 HydrophobicContact CD2-CB 4.26Å; L170-V298 HydrophobicContact CD2-CG1 4.03Å; L170-V298 HydrophobicContact CD2-CG2 4.23Å; V293-V298 HydrophobicContact CG1-CG2 4.4Å; V293-V298 HydrophobicContact CG2-CG2 3.73Å; S295-V298 PolarHBondContact O-N 3Å; S296-V298 VanDerWaalsContact C-N 3.33Å; V298-L300 HydrophobicContact CG1-CD2 3.5Å; V298-L300 HydrophobicContact CG1-CG 3.82Å
299D93.4Very high94.8Very high107 Ų10775.7 Ų75.757%0.57238%0.382SS*.  trans-110.7103.3171.5-179.823.4000110.9T297 K301T297-D299 PolarHBondContact O-N 3.21Å; D299-K301 PolarHBondContact O-N 3.08Å; D299-K301 WeakPolarHBondContact OD2-CD 3.48Å; D299-K301 WeakPolarHBondContact OD2-CE 3.22Å; D299-K301 IonicContact OD2-NZ 3.99Å; D299-K301 PolarHBondContact OD2-NZ 3.38Å
300L95.5Very high94.8Very high24 Ų2468.2 Ų68.213%0.12635%0.349CS..  trans-86.9110.1-175.5-58.3-179000111.5V82 P155 I157 V176 V298 W302V82-L300 HydrophobicContact CB-CD1 4.3Å; V82-L300 HydrophobicContact CB-CD2 4.18Å; V82-L300 HydrophobicContact CG1-CD1 3.96Å; V82-L300 HydrophobicContact CG2-CD2 3.64Å; P155-L300 HydrophobicContact CB-CD2 4.45Å; I157-L300 HydrophobicContact CD1-CD2 4.12Å; V176-L300 HydrophobicContact CG1-CD1 3.81Å; V298-L300 HydrophobicContact CG1-CD2 3.5Å; V298-L300 HydrophobicContact CG1-CG 3.82Å; L300-W302 HydrophobicContact CB-CE3 4.47Å; L300-W302 HydrophobicContact CB-CH2 3.6Å; L300-W302 HydrophobicContact CB-CZ3 3.49Å; L300-W302 VanDerWaalsContact CB-CZ3 3.49Å; L300-W302 HydrophobicContact CD1-CH2 3.95Å; L300-W302 HydrophobicContact CG-CH2 4.37Å; L300-W302 WeakPolarHBondContact O-CZ3 3.45Å
301K95.1Very high94.8Very high116 Ų11667.4 Ų67.450%0.50434%0.343SS..  trans-122.5119.8179.2-73.7172170.3153.40111.4D299D299-K301 PolarHBondContact O-N 3.08Å; D299-K301 WeakPolarHBondContact OD2-CD 3.48Å; D299-K301 WeakPolarHBondContact OD2-CE 3.22Å; D299-K301 IonicContact OD2-NZ 3.99Å; D299-K301 PolarHBondContact OD2-NZ 3.38Å
302W95.2Very high94.8Very high37 Ų3766.2 Ų66.214%0.1434%0.338CS..  trans-91.3123.8169.5-68.5-100.4000109K30 K80 P81 V82 G153 P155 L300 R336K30-W302 HydrophobicContact CB-CH2 4.45Å; K30-W302 HydrophobicContact CD-CH2 4.17Å; K30-W302 HydrophobicContact CD-CZ3 4.3Å; K30-W302 HydrophobicContact CG-CH2 4.07Å; K30-W302 HydrophobicContact CG-CZ3 4.45Å; K80-W302 VanDerWaalsContact C-CZ2 3.49Å; K80-W302 HydrophobicContact CB-CD2 4.14Å; K80-W302 HydrophobicContact CB-CE3 4.48Å; K80-W302 HydrophobicContact CB-CH2 4.06Å; K80-W302 HydrophobicContact CB-CZ2 3.68Å; K80-W302 HydrophobicContact CB-CZ3 4.44Å; K80-W302 VanDerWaalsContact O-CZ2 3.27Å; K80-W302 WeakPolarHBondContact O-CZ2 3.39Å; P81-W302 VanDerWaalsContact O-CE2 3.27Å; P81-W302 VanDerWaalsContact O-CZ2 3.28Å; P81-W302 WeakPolarHBondContact O-CZ2 3.23Å; P81-W302 PolarHBondContact O-NE1 3.47Å; V82-W302 HydrophobicContact CB-CZ2 4.29Å; G153-W302 CarbonylContact O-C 3.51Å; G153-W302 VanDerWaalsContact O-CA 3.31Å; G153-W302 WeakPolarHBondContact O-CA 3.43Å; P155-W302 VanDerWaalsContact CD-CD1 3.49Å; P155-W302 HydrophobicContact CG-CD2 3.97Å; P155-W302 HydrophobicContact CG-CE3 4.42Å; P155-W302 HydrophobicContact CG-CG 4.42Å; P155-W302 HydrophobicContact CG-CH2 4.25Å; P155-W302 HydrophobicContact CG-CZ2 3.77Å; L300-W302 HydrophobicContact CB-CE3 4.47Å; L300-W302 HydrophobicContact CB-CH2 3.6Å; L300-W302 HydrophobicContact CB-CZ3 3.49Å; L300-W302 VanDerWaalsContact CB-CZ3 3.49Å; L300-W302 HydrophobicContact CD1-CH2 3.95Å; L300-W302 HydrophobicContact CG-CH2 4.37Å; L300-W302 WeakPolarHBondContact O-CZ3 3.45Å; W302-R336 PolarHBondContact O-NH1 2.9Å; W302-R336 PolarHBondContact O-NH2 3.09Å
303R94.6Very high94.8Very high175 Ų17564 Ų6466%0.6632%0.324SS*.  trans-112.9166.4-176.1-58.3-177.8-171.1177.23.1111.8G153 R336G153-R303 WeakPolarHBondContact CA-O 3.42Å; G153-R303 PolarHBondContact O-N 2.89Å; R303-R336 PolarHBondContact O-NH1 3.21Å
304E93.3Very high94.8Very high146 Ų14663 Ų6368%0.68232%0.318SS*.  trans-63.5144.4173.6-65.4-174.8167.100110
305P95.6Very high94.9Very high17 Ų1759.5 Ų59.511%0.1130%0.301CS..  trans-68.7142.8176.630.7-34.8000110.1L151 E307 L310 I332 M333L151-P305 CarbonylContact O-C 3.22Å; L151-P305 VanDerWaalsContact O-CA 3.26Å; L151-P305 WeakPolarHBondContact O-CA 3.13Å; P305-E307 PolarHBondContact O-N 3.18Å; P305-L310 HydrophobicContact CB-CD1 3.97Å; P305-I332 HydrophobicContact CB-CG2 4.26Å; P305-I332 HydrophobicContact CG-CB 4.24Å; P305-I332 HydrophobicContact CG-CG2 3.8Å; P305-M333 HydrophobicContact CG-CG 3.97Å
306D96.8Very high95Very high85 Ų8562.8 Ų62.846%0.45532%0.324SS..  trans-84.691.7168.9-170.6-27.5000108.3L151 E308 A309 L310L151-D306 HydrophobicContact CD2-CB 4.5Å; L151-D306 PolarHBondContact O-N 3.13Å; D306-E308 PolarHBondContact O-N 2.96Å; D306-A309 HydrophobicContact CB-CB 4.06Å; D306-A309 WeakPolarHBondContact OD1-CB 3.31Å; D306-A309 PolarHBondContact OD1-N 3.06Å; D306-A309 VanDerWaalsContact OD1-N 3.1Å; D306-L310 VanDerWaalsContact O-CB 3.3Å; D306-L310 WeakPolarHBondContact O-CB 3.4Å; D306-L310 VanDerWaalsContact O-CG 3.31Å; D306-L310 WeakPolarHBondContact O-CG 3.27Å; D306-L310 PolarHBondContact O-N 3.38Å
307E95.6Very high95.1Very high48 Ų4863 Ų6322%0.22432%0.315CS..Hα-helixtrans-59.8-46-173.4-179.6171.7167.200112.1P305 L310 I311 R326 C329P305-E307 PolarHBondContact O-N 3.18Å; E307-L310 WeakPolarHBondContact O-CB 3.19Å; E307-L310 PolarHBondContact O-N 3.19Å; E307-I311 HydrophobicContact CG-CD1 3.83Å; E307-I311 WeakPolarHBondContact O-CD1 3.42Å; E307-I311 VanDerWaalsContact O-CG1 3.23Å; E307-I311 WeakPolarHBondContact O-CG1 3.34Å; E307-I311 PolarHBondContact O-N 3.11Å; E307-R326 IonicContact OE1-CZ 2.78Å; E307-R326 IonicContact OE1-NH1 3.4Å; E307-R326 PolarHBondContact OE1-NH1 3.4Å; E307-C329 HydrophobicContact CB-CB 4.49Å; E307-C329 HydrophobicContact CG-CB 4.11Å
308E96.4Very high95.2Very high119 Ų11958.8 Ų58.856%0.55629%0.288SS*.Hα-helixtrans-69.5-41.3-176.2-64.9-58.4128.400111.3D306 I311 Q312 R326D306-E308 PolarHBondContact O-N 2.96Å; E308-I311 PolarHBondContact O-N 2.93Å; E308-Q312 PolarHBondContact O-N 3.38Å; E308-R326 IonicContact OE1-NH1 2.8Å; E308-R326 PolarHBondContact OE1-NH1 3.21Å; E308-R326 IonicContact OE1-NH2 3.24Å
309A97.4Very high95.1Very high31 Ų3161.5 Ų61.526%0.25630%0.3SS..Hα-helixtrans-68.7-33.9174.700000112.5L151 D306 I311 Q312 F313L151-A309 HydrophobicContact CD1-CB 4.49Å; L151-A309 HydrophobicContact CD2-CB 3.61Å; D306-A309 HydrophobicContact CB-CB 4.06Å; D306-A309 WeakPolarHBondContact OD1-CB 3.31Å; D306-A309 PolarHBondContact OD1-N 3.06Å; D306-A309 VanDerWaalsContact OD1-N 3.1Å; A309-I311 VanDerWaalsContact C-N 3.34Å; A309-Q312 PolarHBondContact O-N 2.8Å; A309-F313 WeakPolarHBondContact O-CB 3.49Å; A309-F313 PolarHBondContact O-N 2.78Å
310L96.6Very high95.1Very high0 Ų058.1 Ų58.10%028%0.28CS..Hα-helixtrans-61.6-42.6172.2-85.4173.3000111.7L148 L151 M152 P305 D306 E307 F313 M314 I325 C329L148-L310 HydrophobicContact CD1-CD2 3.71Å; L151-L310 HydrophobicContact CB-CD2 3.44Å; L151-L310 VanDerWaalsContact CB-CD2 3.44Å; L151-L310 HydrophobicContact CB-CG 3.68Å; L151-L310 HydrophobicContact CD1-CD2 4.31Å; M152-L310 HydrophobicContact CG-CD1 4.33Å; M152-L310 HydrophobicContact CG-CD2 4.01Å; P305-L310 HydrophobicContact CB-CD1 3.97Å; D306-L310 VanDerWaalsContact O-CB 3.3Å; D306-L310 WeakPolarHBondContact O-CB 3.4Å; D306-L310 VanDerWaalsContact O-CG 3.31Å; D306-L310 WeakPolarHBondContact O-CG 3.27Å; D306-L310 PolarHBondContact O-N 3.38Å; E307-L310 WeakPolarHBondContact O-CB 3.19Å; E307-L310 PolarHBondContact O-N 3.19Å; L310-F313 PolarHBondContact O-N 3.25Å; L310-M314 VanDerWaalsContact O-CB 3.24Å; L310-M314 WeakPolarHBondContact O-CB 3.45Å; L310-M314 WeakPolarHBondContact O-CG 3.38Å; L310-M314 PolarHBondContact O-N 3.24Å; L310-I325 HydrophobicContact CB-CG2 4.49Å; L310-C329 VanDerWaalsContact CD1-SG 3.55Å
311I96.9Very high95Very high12 Ų1259.6 Ų59.66%0.06229%0.292CS..Hα-helixtrans-68.6-45.2179-68.3164.5000110.1E307 E308 A309 F313 C315 S316 E322 I325 R326E307-I311 HydrophobicContact CG-CD1 3.83Å; E307-I311 WeakPolarHBondContact O-CD1 3.42Å; E307-I311 VanDerWaalsContact O-CG1 3.23Å; E307-I311 WeakPolarHBondContact O-CG1 3.34Å; E307-I311 PolarHBondContact O-N 3.11Å; E308-I311 PolarHBondContact O-N 2.93Å; A309-I311 VanDerWaalsContact C-N 3.34Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.22Å; I311-C315 HydrophobicContact CG2-CB 4.16Å; I311-C315 WeakPolarHBondContact O-CA 3.34Å; I311-C315 WeakPolarHBondContact O-CB 3.29Å; I311-C315 PolarHBondContact O-N 3.4Å; I311-S316 PolarHBondContact O-N 3.28Å; I311-E322 HydrophobicContact CG2-CG 4.02Å; I311-I325 HydrophobicContact CG1-CG2 4.2Å; I311-R326 HydrophobicContact CD1-CG 3.58Å; I311-R326 HydrophobicContact CG1-CG 4.25Å
312Q96.9Very high95Very high105 Ų10558.2 Ų58.249%0.49129%0.288SS..Iπ-helixtrans-57-45.8175.7-178.858.222.300111.3E308 A309 S316 E317E308-Q312 PolarHBondContact O-N 3.38Å; A309-Q312 PolarHBondContact O-N 2.8Å; Q312-S316 WeakPolarHBondContact O-CA 3.3Å; Q312-S316 WeakPolarHBondContact O-CB 3.25Å; Q312-S316 PolarHBondContact O-N 3.01Å; Q312-S316 PolarHBondContact OE1-OG 2.79Å; Q312-E317 PolarHBondContact O-N 2.72Å; Q312-E317 VanDerWaalsContact O-N 3.08Å
313F97.1Very high95.1Very high3 Ų362.2 Ų62.21%0.01331%0.312CS..Iπ-helixtrans-70.6-52.9-179.9178.3-131.2000112.9L64 D144 K147 L148 L151 A309 L310 I311 E317 K318L64-F313 HydrophobicContact CD1-CZ 4.28Å; L64-F313 HydrophobicContact CD2-CE1 3.87Å; L64-F313 HydrophobicContact CD2-CZ 4.08Å; D144-F313 HydrophobicContact CB-CZ 4.42Å; K147-F313 HydrophobicContact CB-CE1 4.32Å; K147-F313 HydrophobicContact CB-CZ 4.34Å; K147-F313 HydrophobicContact CD-CD1 4.35Å; K147-F313 HydrophobicContact CD-CD2 3.78Å; K147-F313 HydrophobicContact CD-CE1 4.26Å; K147-F313 HydrophobicContact CD-CE2 3.67Å; K147-F313 HydrophobicContact CD-CG 4.12Å; K147-F313 HydrophobicContact CD-CZ 3.92Å; K147-F313 VanDerWaalsContact CE-CD2 3.41Å; K147-F313 HydrophobicContact CG-CD1 4.26Å; K147-F313 HydrophobicContact CG-CE1 4.16Å; K147-F313 HydrophobicContact CG-CE2 4.46Å; K147-F313 HydrophobicContact CG-CG 4.45Å; K147-F313 HydrophobicContact CG-CZ 4.25Å; K147-F313 VanDerWaalsContact NZ-CD2 3.27Å; L148-F313 HydrophobicContact CB-CE1 4.12Å; L151-F313 HydrophobicContact CD1-CB 3.82Å; L151-F313 HydrophobicContact CD1-CD1 3.97Å; L151-F313 HydrophobicContact CD1-CG 4.17Å; A309-F313 WeakPolarHBondContact O-CB 3.49Å; A309-F313 PolarHBondContact O-N 2.78Å; L310-F313 PolarHBondContact O-N 3.25Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.22Å; F313-E317 HydrophobicContact CD2-CB 4.43Å; F313-E317 VanDerWaalsContact CD2-OE2 3.3Å; F313-E317 WeakPolarHBondContact CD2-OE2 3.46Å; F313-E317 WeakPolarHBondContact O-CB 3.37Å; F313-K318 HydrophobicContact CD2-CG 4.34Å; F313-K318 HydrophobicContact CE2-CG 4Å; F313-K318 HydrophobicContact CZ-CG 4.4Å; F313-K318 WeakPolarHBondContact O-CG 3.45Å; F313-K318 PolarHBondContact O-N 3.34Å; F313-K318 VanDerWaalsContact O-N 3.1Å
314M96.2Very high95Very high1 Ų161.6 Ų61.61%0.00531%0.309CS..Iπ-helixtrans-76-39.6-173.1-66.3-69.9-72.700111.7L64 F68 L148 L310 K318 Q319 F320 I325L64-M314 HydrophobicContact CB-CE 4.19Å; L64-M314 HydrophobicContact CB-SD 4.26Å; L64-M314 HydrophobicContact CD1-SD 4.36Å; L64-M314 HydrophobicContact CD2-SD 4.36Å; F68-M314 HydrophobicContact CB-CE 4.46Å; L148-M314 HydrophobicContact CD1-CG 4.21Å; L148-M314 HydrophobicContact CD1-SD 3.8Å; L310-M314 VanDerWaalsContact O-CB 3.24Å; L310-M314 WeakPolarHBondContact O-CB 3.45Å; L310-M314 WeakPolarHBondContact O-CG 3.38Å; L310-M314 PolarHBondContact O-N 3.24Å; M314-K318 CarbonylContact O-C 3.51Å; M314-K318 VanDerWaalsContact O-C 3.22Å; M314-Q319 PolarHBondContact O-N 2.85Å; M314-Q319 VanDerWaalsContact O-N 3.14Å; M314-F320 HydrophobicContact CB-CB 4.39Å; M314-F320 HydrophobicContact CB-CD2 4.29Å; M314-F320 HydrophobicContact CE-CD2 3.64Å; M314-F320 HydrophobicContact CE-CE2 3.7Å; M314-F320 HydrophobicContact CE-CG 4.09Å; M314-F320 HydrophobicContact CE-CZ 4.19Å; M314-F320 VanDerWaalsContact O-CB 3.31Å; M314-F320 WeakPolarHBondContact O-CB 3.46Å; M314-F320 VanDerWaalsContact O-CD2 3.27Å; M314-F320 WeakPolarHBondContact O-CD2 3.46Å; M314-F320 PolarHBondContact O-N 3.1Å; M314-F320 HydrophobicContact SD-CD2 4.25Å; M314-F320 HydrophobicContact SD-CE2 4.33Å; M314-I325 HydrophobicContact CB-CD1 3.92Å; M314-I325 HydrophobicContact CB-CG1 3.86Å; M314-I325 HydrophobicContact CB-CG2 4.27Å; M314-I325 HydrophobicContact CE-CD1 3.85Å; M314-I325 HydrophobicContact CG-CD1 4.27Å
315C94.8Very high95.1Very high19 Ų1954.7 Ų54.713%0.12828%0.277CS..Iπ-helixtrans-92.6-51.4-173.9-55.10000111.9I311 Q319 F320 E322I311-C315 HydrophobicContact CG2-CB 4.16Å; I311-C315 WeakPolarHBondContact O-CA 3.34Å; I311-C315 WeakPolarHBondContact O-CB 3.29Å; I311-C315 PolarHBondContact O-N 3.4Å; C315-Q319 WeakPolarHBondContact O-CA 3.4Å; C315-Q319 PolarHBondContact O-N 2.85Å; C315-Q319 VanDerWaalsContact O-N 3.09Å; C315-F320 WeakPolarHBondContact CA-O 3.45Å; C315-F320 WeakPolarHBondContact CB-O 3.16Å; C315-F320 PolarHBondContact SG-O 3.45Å; C315-E322 HydrophobicContact CB-CB 4.48Å; C315-E322 WeakPolarHBondContact SG-CA 3.39Å
316S92.6Very high95.2Very high69 Ų6956.9 Ų56.948%0.48328%0.283SS..Iπ-helixtrans-74.8-47.1-176.7-44.50000112.1I311 Q312I311-S316 PolarHBondContact O-N 3.28Å; Q312-S316 WeakPolarHBondContact O-CA 3.3Å; Q312-S316 WeakPolarHBondContact O-CB 3.25Å; Q312-S316 PolarHBondContact O-N 3.01Å; Q312-S316 PolarHBondContact OE1-OG 2.79Å
317E92.8Very high95.1Very high87 Ų8756.9 Ų56.941%0.40728%0.283SS..Iπ-helixtrans-83.6-40.7-178.2-57.7172.4-144.800112.5K147 Q312 F313K147-E317 VanDerWaalsContact NZ-CD 3.34Å; K147-E317 IonicContact NZ-OE1 2.73Å; K147-E317 PolarHBondContact NZ-OE1 3.44Å; K147-E317 IonicContact NZ-OE2 3.3Å; K147-E317 PolarHBondContact NZ-OE2 3.21Å; Q312-E317 PolarHBondContact O-N 2.72Å; Q312-E317 VanDerWaalsContact O-N 3.08Å; F313-E317 HydrophobicContact CD2-CB 4.43Å; F313-E317 VanDerWaalsContact CD2-OE2 3.3Å; F313-E317 WeakPolarHBondContact CD2-OE2 3.46Å; F313-E317 WeakPolarHBondContact O-CB 3.37Å
318K92.9Very high95.1Very high13 Ų1354.8 Ų54.86%0.05727%0.274CS..THydrogen-bonded Turntrans-108.55.4-172.2-57.4-69.21761730114.1E59 L64 D144 F313 M314 F320E59-K318 IonicContact OE2-NZ 3.29Å; E59-K318 PolarHBondContact OE2-NZ 3.34Å; L64-K318 HydrophobicContact CD1-CB 4.18Å; L64-K318 HydrophobicContact CD1-CD 3.94Å; L64-K318 HydrophobicContact CD1-CG 3.7Å; D144-K318 IonicContact OD1-NZ 2.7Å; D144-K318 IonicContact OD2-NZ 2.64Å; D144-K318 PolarHBondContact OD2-NZ 3.33Å; F313-K318 HydrophobicContact CD2-CG 4.34Å; F313-K318 HydrophobicContact CE2-CG 4Å; F313-K318 HydrophobicContact CZ-CG 4.4Å; F313-K318 WeakPolarHBondContact O-CG 3.45Å; F313-K318 PolarHBondContact O-N 3.34Å; F313-K318 VanDerWaalsContact O-N 3.1Å; M314-K318 CarbonylContact O-C 3.51Å; M314-K318 VanDerWaalsContact O-C 3.22Å; K318-F320 VanDerWaalsContact C-N 3.28Å; K318-F320 HydrophobicContact CB-CD2 3.87Å; K318-F320 HydrophobicContact CB-CE2 3.98Å; K318-F320 PolarHBondContact O-N 3.5Å
319Q91.9Very high95Very high77 Ų7749.1 Ų49.136%0.3625%0.248SC..  trans59.628.6169.4-57.4177.8-35.600115.5E56 M314 C315E56-Q319 VanDerWaalsContact CB-OE1 3.3Å; E56-Q319 VanDerWaalsContact CD-NE2 3.31Å; E56-Q319 VanDerWaalsContact CG-OE1 3.26Å; E56-Q319 PolarHBondContact OE2-NE2 3.14Å; M314-Q319 PolarHBondContact O-N 2.85Å; M314-Q319 VanDerWaalsContact O-N 3.14Å; C315-Q319 WeakPolarHBondContact O-CA 3.4Å; C315-Q319 PolarHBondContact O-N 2.85Å; C315-Q319 VanDerWaalsContact O-N 3.09Å
320F93.3Very high94.9Very high36 Ų3653.5 Ų53.516%0.15826%0.261CS..  trans-76.6152.2170.4-73-84.4000112.2T61 L64 M65 M314 C315 K318 E322 I325T61-F320 HydrophobicContact CG2-CE2 4.29Å; L64-F320 HydrophobicContact CB-CE2 4.14Å; L64-F320 HydrophobicContact CB-CZ 4.25Å; L64-F320 HydrophobicContact CD1-CE2 4.26Å; M65-F320 HydrophobicContact CB-CE1 3.86Å; M65-F320 HydrophobicContact CB-CZ 4.03Å; M65-F320 HydrophobicContact CG-CE1 4.09Å; M65-F320 HydrophobicContact SD-CE1 4.29Å; M314-F320 HydrophobicContact CB-CB 4.39Å; M314-F320 HydrophobicContact CB-CD2 4.29Å; M314-F320 HydrophobicContact CE-CD2 3.64Å; M314-F320 HydrophobicContact CE-CE2 3.7Å; M314-F320 HydrophobicContact CE-CG 4.09Å; M314-F320 HydrophobicContact CE-CZ 4.19Å; M314-F320 VanDerWaalsContact O-CB 3.31Å; M314-F320 WeakPolarHBondContact O-CB 3.46Å; M314-F320 VanDerWaalsContact O-CD2 3.27Å; M314-F320 WeakPolarHBondContact O-CD2 3.46Å; M314-F320 PolarHBondContact O-N 3.1Å; M314-F320 HydrophobicContact SD-CD2 4.25Å; M314-F320 HydrophobicContact SD-CE2 4.33Å; C315-F320 WeakPolarHBondContact CA-O 3.45Å; C315-F320 WeakPolarHBondContact CB-O 3.16Å; C315-F320 PolarHBondContact SG-O 3.45Å; K318-F320 VanDerWaalsContact C-N 3.28Å; K318-F320 HydrophobicContact CB-CD2 3.87Å; K318-F320 HydrophobicContact CB-CE2 3.98Å; K318-F320 PolarHBondContact O-N 3.5Å; F320-E322 PolarHBondContact O-N 2.82Å; F320-I325 HydrophobicContact CB-CD1 4.11Å; F320-I325 HydrophobicContact CB-CG1 4.08Å
321S93.7Very high94.8Very high55 Ų5558 Ų5839%0.38528%0.281SS..  trans-61.3120.3174.5166.30000112.2D323 R324 I325S321-D323 PolarHBondContact O-N 3.49Å; S321-R324 WeakPolarHBondContact O-CB 3.36Å; S321-R324 PolarHBondContact O-N 3.17Å; S321-R324 VanDerWaalsContact O-N 3.11Å; S321-I325 PolarHBondContact O-N 3.29Å
322E95.6Very high94.7Very high88 Ų8857.6 Ų57.641%0.41128%0.278SS..Hα-helixtrans-56.3-46.4-179.8-172.7177.6162.500113.1I311 C315 F320 R324 I325 R326I311-E322 HydrophobicContact CG2-CG 4.02Å; C315-E322 HydrophobicContact CB-CB 4.48Å; C315-E322 WeakPolarHBondContact SG-CA 3.39Å; F320-E322 PolarHBondContact O-N 2.82Å; E322-R324 PolarHBondContact O-N 3.33Å; E322-I325 PolarHBondContact O-N 2.99Å; E322-R326 HydrophobicContact CG-CG 4.25Å; E322-R326 PolarHBondContact O-N 3.04Å; E322-R326 IonicContact OE1-CZ 3.99Å; E322-R326 VanDerWaalsContact OE1-CZ 3.24Å; E322-R326 IonicContact OE1-NE 2.98Å; E322-R326 PolarHBondContact OE1-NE 3.27Å; E322-R326 IonicContact OE1-NH2 3.3Å; E322-R326 PolarHBondContact OE1-NH2 3.31Å
323D95.5Very high94.4Very high121 Ų12156.4 Ų56.465%0.64727%0.274SS*.Hα-helixtrans-55.1-39.3177.7-72-30.7000112.4S321 N327S321-D323 PolarHBondContact O-N 3.49Å; D323-N327 VanDerWaalsContact O-CB 3.25Å; D323-N327 WeakPolarHBondContact O-CB 3.22Å; D323-N327 PolarHBondContact O-N 3.08Å; D323-N327 PolarHBondContact O-ND2 2.7Å
324R93.5Very high94.2Very high161 Ų16163.9 Ų63.961%0.60831%0.307SS*.Hα-helixtrans-69.4-41.8178.8-67.4-173.8-176.7175.51.1111.5S321 E322 G328S321-R324 WeakPolarHBondContact O-CB 3.36Å; S321-R324 PolarHBondContact O-N 3.17Å; S321-R324 VanDerWaalsContact O-N 3.11Å; E322-R324 PolarHBondContact O-N 3.33Å; R324-G328 PolarHBondContact O-N 3.48Å
325I96.3Very high93.8Very high2 Ų265.4 Ų65.41%0.0132%0.317CS..Hα-helixtrans-68.6-46.2179.6-59-53.9000111F68 L310 I311 M314 F320 S321 E322 N327 G328 C329F68-I325 HydrophobicContact CD1-CD1 4.24Å; F68-I325 HydrophobicContact CE1-CD1 3.81Å; F68-I325 HydrophobicContact CZ-CD1 4.06Å; F68-I325 HydrophobicContact CZ-CG2 4.29Å; L310-I325 HydrophobicContact CB-CG2 4.49Å; I311-I325 HydrophobicContact CG1-CG2 4.2Å; M314-I325 HydrophobicContact CB-CD1 3.92Å; M314-I325 HydrophobicContact CB-CG1 3.86Å; M314-I325 HydrophobicContact CB-CG2 4.27Å; M314-I325 HydrophobicContact CE-CD1 3.85Å; M314-I325 HydrophobicContact CG-CD1 4.27Å; F320-I325 HydrophobicContact CB-CD1 4.11Å; F320-I325 HydrophobicContact CB-CG1 4.08Å; S321-I325 PolarHBondContact O-N 3.29Å; E322-I325 PolarHBondContact O-N 2.99Å; I325-N327 VanDerWaalsContact C-N 3.33Å; I325-N327 PolarHBondContact O-N 3.4Å; I325-G328 WeakPolarHBondContact O-CA 2.97Å; I325-G328 PolarHBondContact O-N 2.86Å; I325-C329 PolarHBondContact O-N 3.38Å; I325-C329 PolarHBondContact O-SG 3.16Å
326R95.8Very high93Very high63 Ų6369.6 Ų69.624%0.23833%0.33CS..Hα-helixtrans-58.5-43.6174.5-75-168.6-175.9-79.61.9112E307 E308 I311 E322 G328 C329 K330E307-R326 IonicContact OE1-CZ 2.78Å; E307-R326 IonicContact OE1-NH1 3.4Å; E307-R326 PolarHBondContact OE1-NH1 3.4Å; E308-R326 IonicContact OE1-NH1 2.8Å; E308-R326 PolarHBondContact OE1-NH1 3.21Å; E308-R326 IonicContact OE1-NH2 3.24Å; I311-R326 HydrophobicContact CD1-CG 3.58Å; I311-R326 HydrophobicContact CG1-CG 4.25Å; E322-R326 HydrophobicContact CG-CG 4.25Å; E322-R326 PolarHBondContact O-N 3.04Å; E322-R326 IonicContact OE1-CZ 3.99Å; E322-R326 VanDerWaalsContact OE1-CZ 3.24Å; E322-R326 IonicContact OE1-NE 2.98Å; E322-R326 PolarHBondContact OE1-NE 3.27Å; E322-R326 IonicContact OE1-NH2 3.3Å; E322-R326 PolarHBondContact OE1-NH2 3.31Å; R326-G328 VanDerWaalsContact C-N 3.3Å; R326-G328 PolarHBondContact O-N 2.99Å; R326-C329 PolarHBondContact O-N 3.24Å; R326-K330 WeakPolarHBondContact O-CG 3.47Å; R326-K330 PolarHBondContact O-N 3.45Å
327N95.8Very high92.2Very high85 Ų8574 Ų7446%0.45534%0.343SS..Hα-helixtrans-63.6-35.9175.2-75.7-29.6000112.4D323 I325 K331D323-N327 VanDerWaalsContact O-CB 3.25Å; D323-N327 WeakPolarHBondContact O-CB 3.22Å; D323-N327 PolarHBondContact O-N 3.08Å; D323-N327 PolarHBondContact O-ND2 2.7Å; I325-N327 VanDerWaalsContact C-N 3.33Å; I325-N327 PolarHBondContact O-N 3.4Å; N327-K331 WeakPolarHBondContact O-CG 3.36Å; N327-K331 PolarHBondContact O-N 3.35Å
328G95.1Very high90.9Very high3 Ų371.9 Ų71.93%0.03135%0.345CS..Hα-helixtrans-62-45171.100000112.8R324 I325 R326 K330 K331 I332R324-G328 PolarHBondContact O-N 3.48Å; I325-G328 WeakPolarHBondContact O-CA 2.97Å; I325-G328 PolarHBondContact O-N 2.86Å; R326-G328 VanDerWaalsContact C-N 3.3Å; R326-G328 PolarHBondContact O-N 2.99Å; G328-K330 PolarHBondContact O-N 3.49Å; G328-K331 WeakPolarHBondContact O-CB 3.08Å; G328-K331 PolarHBondContact O-N 2.9Å; G328-K331 VanDerWaalsContact O-N 3.14Å; G328-I332 WeakPolarHBondContact O-CG1 3.18Å; G328-I332 PolarHBondContact O-N 2.88Å
329C94.7Very high89.2Confident0 Ų076.5 Ų76.50%038%0.379CS..Hα-helixtrans-59.5-45.9176.6-62.50000111.7E307 L310 I325 R326 K331 I332 M333E307-C329 HydrophobicContact CB-CB 4.49Å; E307-C329 HydrophobicContact CG-CB 4.11Å; L310-C329 VanDerWaalsContact CD1-SG 3.55Å; I325-C329 PolarHBondContact O-N 3.38Å; I325-C329 PolarHBondContact O-SG 3.16Å; R326-C329 PolarHBondContact O-N 3.24Å; C329-K331 VanDerWaalsContact C-N 3.27Å; C329-K331 PolarHBondContact O-N 3.13Å; C329-I332 WeakPolarHBondContact O-CB 3.49Å; C329-I332 PolarHBondContact O-N 2.98Å; C329-I332 VanDerWaalsContact O-N 3.11Å; C329-M333 WeakPolarHBondContact O-CG 3.15Å; C329-M333 PolarHBondContact O-N 2.92Å
330K94.9Very high87.6Confident123 Ų12376 Ų7654%0.53538%0.381SS..Hα-helixtrans-56.1-40.5174.6-70.7173.8-175.4172.10112.5R326 G328 K334R326-K330 WeakPolarHBondContact O-CG 3.47Å; R326-K330 PolarHBondContact O-N 3.45Å; G328-K330 PolarHBondContact O-N 3.49Å; K330-K334 WeakPolarHBondContact O-CB 3.36Å; K330-K334 PolarHBondContact O-N 3.33Å
331K95Very high86.2Confident95 Ų9582.2 Ų82.241%0.41341%0.411SS..Hα-helixtrans-65.5-43.7176.3-72175.3167.8-157.40112.1I72 E76 N327 G328 C329 K334 S335I72-K331 HydrophobicContact CG2-CB 3.87Å; I72-K331 HydrophobicContact CG2-CD 3.98Å; E76-K331 HydrophobicContact CG-CB 4.33Å; E76-K331 VanDerWaalsContact OE1-CD 3.31Å; E76-K331 WeakPolarHBondContact OE1-CD 3.4Å; E76-K331 WeakPolarHBondContact OE1-CG 3.28Å; E76-K331 IonicContact OE1-NZ 3.91Å; E76-K331 IonicContact OE2-NZ 3.88Å; N327-K331 WeakPolarHBondContact O-CG 3.36Å; N327-K331 PolarHBondContact O-N 3.35Å; G328-K331 WeakPolarHBondContact O-CB 3.08Å; G328-K331 PolarHBondContact O-N 2.9Å; G328-K331 VanDerWaalsContact O-N 3.14Å; C329-K331 VanDerWaalsContact C-N 3.27Å; C329-K331 PolarHBondContact O-N 3.13Å; K331-K334 PolarHBondContact O-N 3.46Å; K331-S335 WeakPolarHBondContact O-CB 3.38Å; K331-S335 PolarHBondContact O-N 2.86Å
332I93.8Very high84.7Confident3 Ų381.9 Ų81.92%0.01542%0.416CS..Hα-helixtrans-58.2-50.7175.8-64165.7000109.8I72 L75 M152 P305 G328 C329 K334 S335I72-I332 HydrophobicContact CD1-CD1 4.33Å; I72-I332 HydrophobicContact CD1-CG1 4.44Å; I72-I332 HydrophobicContact CG1-CD1 3.92Å; I72-I332 HydrophobicContact CG1-CG1 3.73Å; L75-I332 HydrophobicContact CD1-CG1 4.23Å; L75-I332 HydrophobicContact CD1-CG2 4.16Å; M152-I332 HydrophobicContact CE-CD1 3.66Å; M152-I332 HydrophobicContact CG-CD1 4.39Å; P305-I332 HydrophobicContact CB-CG2 4.26Å; P305-I332 HydrophobicContact CG-CB 4.24Å; P305-I332 HydrophobicContact CG-CG2 3.8Å; G328-I332 WeakPolarHBondContact O-CG1 3.18Å; G328-I332 PolarHBondContact O-N 2.88Å; C329-I332 WeakPolarHBondContact O-CB 3.49Å; C329-I332 PolarHBondContact O-N 2.98Å; C329-I332 VanDerWaalsContact O-N 3.11Å; I332-K334 PolarHBondContact O-N 2.9Å; I332-S335 PolarHBondContact O-N 3.22Å; I332-S335 PolarHBondContact O-OG 3.39Å
333M91.9Very high83.7Confident81 Ų8182.2 Ų82.240%0.39941%0.414SS..Hα-helixtrans-60-47179.1-66.4-179.97900112.1P305 C329 S335 R336P305-M333 HydrophobicContact CG-CG 3.97Å; C329-M333 WeakPolarHBondContact O-CG 3.15Å; C329-M333 PolarHBondContact O-N 2.92Å; M333-S335 VanDerWaalsContact C-N 3.33Å; M333-S335 PolarHBondContact O-N 3.37Å; M333-R336 PolarHBondContact O-N 2.95Å
334K91.8Very high82.8Confident160 Ų16082.8 Ų82.870%0.69642%0.416SS*.Hα-helixtrans-60.7-40.7178.7-175.5179.3179.1-178.70112.3K330 K331 I332 R336 Q337K330-K334 WeakPolarHBondContact O-CB 3.36Å; K330-K334 PolarHBondContact O-N 3.33Å; K331-K334 PolarHBondContact O-N 3.46Å; I332-K334 PolarHBondContact O-N 2.9Å; K334-R336 PolarHBondContact O-N 3.16Å; K334-Q337 PolarHBondContact O-N 2.92Å
335S87.8Confident81.9Confident32 Ų3277.9 Ų77.922%0.22440%0.402CS..Hα-helixtrans-61.6-24.8-17974.10000113.6L75 K331 I332 M333L75-S335 WeakPolarHBondContact O-CB 3.15Å; K331-S335 WeakPolarHBondContact O-CB 3.38Å; K331-S335 PolarHBondContact O-N 2.86Å; I332-S335 PolarHBondContact O-N 3.22Å; I332-S335 PolarHBondContact O-OG 3.39Å; M333-S335 VanDerWaalsContact C-N 3.33Å; M333-S335 PolarHBondContact O-N 3.37Å
336R79Confident80.8Confident107 Ų10781.2 Ų81.240%0.40443%0.426SS..Hα-helixtrans-83.6-23.6179.3-65.7177.466.7108.43.3114.2W302 R303 M333 K334 G338W302-R336 PolarHBondContact O-NH1 2.9Å; W302-R336 PolarHBondContact O-NH2 3.09Å; R303-R336 PolarHBondContact O-NH1 3.21Å; M333-R336 PolarHBondContact O-N 2.95Å; K334-R336 PolarHBondContact O-N 3.16Å; R336-G338 VanDerWaalsContact C-N 3.25Å; R336-G338 PolarHBondContact O-N 3.47Å
337Q75.1Confident79.6Confident161 Ų16185.6 Ų85.675%0.75245%0.446SS*.Hα-helixtrans-74.4-15.9-176.3-68.4176.9-3.900112.9K334 S339K334-Q337 PolarHBondContact O-N 2.92Å; Q337-S339 PolarHBondContact O-N 2.85Å
338G64.6Low78.6Confident43 Ų4388.3 Ų88.344%0.44346%0.455SS..SBendtrans-71.2121.3172.300000111R336 T340R336-G338 VanDerWaalsContact C-N 3.25Å; R336-G338 PolarHBondContact O-N 3.47Å; G338-T340 PolarHBondContact O-N 3.26Å
339S57.6Low77.5Confident111 Ų11193.2 Ų93.278%0.77649%0.489SS*.  trans-57.7115.9172.4590000109.5Q337 Q341Q337-S339 PolarHBondContact O-N 2.85Å; S339-Q341 PolarHBondContact O-N 3.22Å
340T59.8Low76.5Confident66 Ų6699.2 Ų99.241%0.40553%0.525SS..  trans-72.795.2174.153.50000108.8F27 G338 G342F27-T340 HydrophobicContact CE1-CG2 4.48Å; F27-T340 HydrophobicContact CZ-CG2 4.22Å; G338-T340 PolarHBondContact O-N 3.26Å; T340-G342 PolarHBondContact O-N 2.85Å; T340-G342 VanDerWaalsContact O-N 3.12Å
341Q62.4Low75.2Confident166 Ų166100 Ų10078%0.77654%0.54SS*.PPolyproline II helixtrans-57.6117.2164.9-176.2173.9-4.900107.6S339S339-Q341 PolarHBondContact O-N 3.22Å
342G63.8Low73.7Confident49 Ų4998.2 Ų98.251%0.50555%0.548SS..PPolyproline II helixtrans-63.3137179.800000110.7T340T340-G342 PolarHBondContact O-N 2.85Å; T340-G342 VanDerWaalsContact O-N 3.12Å
343R74.1Confident72.3Confident94 Ų94103.1 Ų103.136%0.35558%0.583SS.*PPolyproline II helixtrans-81.3142.9175.9-59.4-179.362.2101.21.7110.6N25 F27 D345 S346 F347N25-R343 PolarHBondContact O-NH1 3.17Å; N25-R343 VanDerWaalsContact O-NH1 3.07Å; F27-R343 WeakPolarHBondContact O-CD 2.95Å; R343-D345 VanDerWaalsContact C-N 3.28Å; R343-D345 WeakPolarHBondContact CB-OD1 3.33Å; R343-D345 IonicContact CZ-OD2 2.83Å; R343-D345 IonicContact NE-OD1 2.87Å; R343-D345 PolarHBondContact NE-OD1 2.97Å; R343-D345 IonicContact NE-OD2 3.94Å; R343-D345 PolarHBondContact NE-OD2 3.2Å; R343-D345 IonicContact NH2-OD2 3.96Å; R343-D345 PolarHBondContact NH2-OD2 3.43Å; R343-D345 PolarHBondContact O-N 3.42Å; R343-S346 WeakPolarHBondContact O-CB 3.49Å; R343-S346 PolarHBondContact O-N 3.42Å; R343-F347 VanDerWaalsContact O-CD2 3.24Å; R343-F347 WeakPolarHBondContact O-CD2 3.47Å
344L76.1Confident70.5Confident133 Ų133108.3 Ų108.370%0.69661%0.611SS**G310 helixtrans-61.1-37.4-179.8-70.5172.4000112.8S346 F347 F348L344-S346 PolarHBondContact O-N 3.37Å; L344-S346 VanDerWaalsContact O-N 3.15Å; L344-F347 PolarHBondContact O-N 2.96Å; L344-F348 HydrophobicContact CD2-CE2 4.29Å; L344-F348 WeakPolarHBondContact O-CD2 3.16Å; L344-F348 PolarHBondContact O-N 3.32Å
345D75.6Confident68.9Low58 Ų58105.7 Ų105.731%0.3161%0.613SS.*G310 helixtrans-69.1-3.917754.516.2000113.7R29 R343R29-D345 VanDerWaalsContact CZ-CG 3.42Å; R29-D345 IonicContact CZ-OD1 3.75Å; R29-D345 IonicContact CZ-OD2 3.88Å; R29-D345 IonicContact NH1-OD1 2.64Å; R29-D345 PolarHBondContact NH1-OD1 3.25Å; R29-D345 IonicContact NH1-OD2 3.51Å; R29-D345 IonicContact NH2-OD1 2.69Å; R29-D345 PolarHBondContact NH2-OD1 2.86Å; R29-D345 VanDerWaalsContact NH2-OD1 3.14Å; R29-D345 IonicContact NH2-OD2 3.56Å; R29-D345 PolarHBondContact NH2-OD2 3.14Å; R343-D345 VanDerWaalsContact C-N 3.28Å; R343-D345 WeakPolarHBondContact CB-OD1 3.33Å; R343-D345 IonicContact CZ-OD2 2.83Å; R343-D345 IonicContact NE-OD1 2.87Å; R343-D345 PolarHBondContact NE-OD1 2.97Å; R343-D345 IonicContact NE-OD2 3.94Å; R343-D345 PolarHBondContact NE-OD2 3.2Å; R343-D345 IonicContact NH2-OD2 3.96Å; R343-D345 PolarHBondContact NH2-OD2 3.43Å; R343-D345 PolarHBondContact O-N 3.42Å
346S71.3Confident67.1Low73 Ų73109.3 Ų109.351%0.5164%0.638SS.*G310 helixtrans-88.8-12.9166.6-73.50000113.1R29 R343 L344R29-S346 PolarHBondContact NH1-OG 3.1Å; R29-S346 VanDerWaalsContact NH1-OG 3.08Å; R343-S346 WeakPolarHBondContact O-CB 3.49Å; R343-S346 PolarHBondContact O-N 3.42Å; L344-S346 PolarHBondContact O-N 3.37Å; L344-S346 VanDerWaalsContact O-N 3.15Å
347F70.9Confident65.6Low154 Ų154114 Ų11468%0.67566%0.661SS**THydrogen-bonded Turntrans-109.2-29.8179.5-61.5-80.5000112.9R343 L344R343-F347 VanDerWaalsContact O-CD2 3.24Å; R343-F347 WeakPolarHBondContact O-CD2 3.47Å; L344-F347 PolarHBondContact O-N 2.96Å
348F76.2Confident64.4Low143 Ų143117.7 Ų117.763%0.62767%0.669SS**SBendtrans-117.4135-177.2-58.1-76.3000110.8L344L344-F348 HydrophobicContact CD2-CE2 4.29Å; L344-F348 WeakPolarHBondContact O-CD2 3.16Å; L344-F348 PolarHBondContact O-N 3.32Å
349S71.5Confident63.5Low106 Ų106125.3 Ų125.374%0.74169%0.69SS**  trans-72137.9170.654.70000110.4T351S349-T351 PolarHBondContact O-N 3.26Å
350V72.8Confident62.9Low125 Ų125128.4 Ų128.476%0.75869%0.692SS**  trans-77.8110.5177.2-179.80000108.6G352V350-G352 VanDerWaalsContact C-N 3.34Å
351T68.9Low62.1Low141 Ų141131 Ų13187%0.86571%0.71SS**  trans-88.22.7-178.552.60000114.3S349S349-T351 PolarHBondContact O-N 3.26Å
352G61.8Low61.1Low56 Ų56131.6 Ų131.658%0.57771%0.713SS**  trans126.1170.9179.200000112.8V350V350-G352 VanDerWaalsContact C-N 3.34Å
353S64.4Low60Low106 Ų106136 Ų13674%0.74173%0.73SS**  trans-102.3125.417261.10000110.3S355S353-S355 PolarHBondContact O-N 3.48Å
354L55.2Low58.2Low190 Ų190141.1 Ų141.1100%0.99576%0.755SS**  trans-73.295.6170.4-73167.3000108.4
355S57.8Low56.2Low106 Ų106138 Ų13874%0.74176%0.755SS**  trans-97.3108.7169.982.10000109.8S353S353-S355 PolarHBondContact O-N 3.48Å
356S51.3Low54.4Low107 Ų107141.1 Ų141.175%0.74878%0.781SS**  trans-85.3115.5164.564.10000108.2R358S356-R358 PolarHBondContact O-N 2.84Å
357K45.6Very low52.7Low205 Ų205142.5 Ų142.589%0.89180%0.797SS**  trans-58113.3167.9-90.8-178.2174.5178.10108.2K359K357-K359 PolarHBondContact O-N 3.27Å
358R51.5Low51Low240 Ų240145 Ų14591%0.90681%0.807SS**PPolyproline II helixtrans-61.9118.4165.6-87.7-178.7178.4168.70107.2S356 E360S356-R358 PolarHBondContact O-N 2.84Å; R358-E360 PolarHBondContact O-N 2.93Å
359K45.1Very low49.1Very low203 Ų203148.3 Ų148.388%0.88382%0.822SS**PPolyproline II helixtrans-57.4132165.3-86.1-177173-177.10107.8K357K357-K359 PolarHBondContact O-N 3.27Å
360E44.7Very low47.3Very low176 Ų176153.1 Ų153.182%0.82283%0.829SS**PPolyproline II helixtrans-52.3137.5169.4-72.1179.8157.400109.1R358 E362R358-E360 PolarHBondContact O-N 2.93Å; E360-E362 PolarHBondContact O-N 3.29Å; E360-E362 VanDerWaalsContact O-N 3.11Å
361P43.2Very low45.3Very low120 Ų120156.6 Ų156.678%0.77984%0.837SS**PPolyproline II helixtrans-65.3116.4176.425.4-29.8000108.6T363P361-T363 PolarHBondContact O-N 3.39Å; P361-T363 VanDerWaalsContact O-N 3.15Å
362E40.4Very low43.5Very low179 Ų179159.7 Ų159.784%0.83684%0.839SS**PPolyproline II helixtrans-51.4121.3168.6-73.3-178.2168.300109E360 K364E360-E362 PolarHBondContact O-N 3.29Å; E360-E362 VanDerWaalsContact O-N 3.11Å; E362-K364 VanDerWaalsContact C-N 3.34Å; E362-K364 PolarHBondContact O-N 3.2Å
363T41.4Very low42Very low142 Ų142164.1 Ų164.187%0.87186%0.855SS**  trans-63.494.1171.236.10000108.7P361 G365P361-T363 PolarHBondContact O-N 3.39Å; P361-T363 VanDerWaalsContact O-N 3.15Å; T363-G365 PolarHBondContact O-N 2.97Å; T363-G365 VanDerWaalsContact O-N 3.11Å
364K37.3Very low40.3Very low200 Ų200163 Ų16387%0.8786%0.86SS**  trans-62115.9170.4-82.6-173.9175.5179.10109.2E362E362-K364 VanDerWaalsContact C-N 3.34Å; E362-K364 PolarHBondContact O-N 3.2Å
365G34Very low39.3Very low68 Ų68158.5 Ų158.570%0.70185%0.851SS**  trans-53150.9176.300000113.6T363 A367T363-G365 PolarHBondContact O-N 2.97Å; T363-G365 VanDerWaalsContact O-N 3.11Å; G365-A367 PolarHBondContact O-N 2.89Å
366S36.5Very low38Very low124 Ų124159.8 Ų159.887%0.86785%0.854SS**  trans-53.1110.4-179.837.10000113.2K368S366-K368 PolarHBondContact O-N 3.28Å
367A35.8Very low37.5Very low102 Ų102160.7 Ų160.784%0.84386%0.857SS**  trans-78.9113.3169.500000110.4G365 K369G365-A367 PolarHBondContact O-N 2.89Å; A367-K369 PolarHBondContact O-N 3.38Å
368K35.7Very low36.9Very low205 Ų205154.8 Ų154.889%0.89185%0.854SS**  trans-54.1127.6170-81.9175.9173.6174.10111.1S366 K370S366-K368 PolarHBondContact O-N 3.28Å; K368-K370 PolarHBondContact O-N 3Å
369K36.5Very low36.2Very low214 Ų214152.9 Ų152.993%0.9385%0.853SS**  trans-55.6120.3165.9-124.3174.1-178.91750109.7A367A367-K369 PolarHBondContact O-N 3.38Å
370K32.9Very low35.6Very low207 Ų207153.5 Ų153.590%0.986%0.856SS**  trans-123.6131.2160.2-116.1-177.6179.9-177.10109.5K368K368-K370 PolarHBondContact O-N 3Å
371Q32Very low35.1Very low198 Ų198153.7 Ų153.793%0.92585%0.854SS**  trans-62.5147.4-170.7-98.6162.9-31.200114.4
372K31.5Very low34.8Very low206 Ų206157.3 Ų157.390%0.89686%0.857SS**  trans-59136.8168.7-74.9174.6168.8179.30112.2
373T29.5Very low34.6Very low148 Ų148152.2 Ų152.291%0.90885%0.853SS**  trans-137.5129.6143.547.10000108.3
374G29.6Very low34.4Very low84 Ų84159 Ų15987%0.86687%0.87SS**  trans176101.7178.700000112.4
375A32.6Very low34.3Very low95 Ų95157 Ų15779%0.78587%0.871SS**  trans-160.6121.6151.700000105.6
376T31.9Very low34.3Very low133 Ų133161.6 Ų161.682%0.81688%0.879SS**  -170.7140.874.9-44.40000109.3
377P39.5Very low34.2Very low126 Ų126163.7 Ų163.782%0.81888%0.88SS**PPolyproline II helixtrans-96.2148.3164.622.3-6.8000112.4
378G33.4Very low34.1Very low80 Ų80167.4 Ų167.483%0.82588%0.882SS**PPolyproline II helixtrans-72.2159.5-169.900000116.9
379K36.6Very low34Very low201 Ų201165 Ų16587%0.87488%0.882SS**PPolyproline II helixtrans-48.7144.5176.7-69.5166.3171.9168.10115.2
380F32.8Very low33.8Very low215 Ų215161.7 Ų161.794%0.94388%0.879SS**  trans-129.5122.8144-105.3-93.5000111.3
381K35Very low33.9Very low181 Ų181158.5 Ų158.579%0.78788%0.877SS**  trans-88.7160.6163.9-105.1-178.9178.6179.20106.7
382K35.8Very low34Very low195 Ų195155.5 Ų155.585%0.84887%0.873SS**  cis-177.6161.3-3.4-147.9-175.7-172.4-166.60106.1
383G36.4Very low34.2Very low73 Ų73151.3 Ų151.375%0.75387%0.871SS**  trans120.7130.6154.400000112.5
384K37.7Very low34.6Very low284 Ų284151.5 Ų151.5100%1.23587%0.868SS**  cis-149.108.9-140.5-176.3-169.8-177.20108

Retrieved 384 of 384 residues in 132.6 ms (Link to these results)

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