A0A093HSY5_STRCA Loading...

Heterogeneous nuclear ribonucleoprotein D-like

AlphaFold DB , UniProt , Accession A0A093HSY5, Species STRCA (Struthio camelus australis), Gene n/a, Length 268 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
1I89.9Confident89.9Confident29 Ų2958.6 Ų58.615%0.14931%0.313CS..  0113.20-44.3-61.1000108.2L4 L13 L17 F40 G41 V43 I67 D68 P69I1-L4 HydrophobicContact CB-CD2 4.36Å; I1-L4 HydrophobicContact CG2-CD2 3.63Å; I1-L4 HydrophobicContact CG2-CG 4.3Å; I1-L13 HydrophobicContact CG1-CD1 4.38Å; I1-L13 HydrophobicContact CG2-CD1 4.22Å; I1-L17 HydrophobicContact CD1-CD1 4.03Å; I1-L17 HydrophobicContact CG1-CD1 4.04Å; I1-F40 CarbonylContact O-C 3.56Å; I1-F40 VanDerWaalsContact O-CA 3.23Å; I1-F40 WeakPolarHBondContact O-CA 3.38Å; I1-F40 WeakPolarHBondContact O-CB 3.47Å; I1-G41 PolarHBondContact N-O 2.77Å; I1-G41 PolarHBondContact O-N 3.28Å; I1-V43 HydrophobicContact CG1-CG2 4.07Å; I1-I67 HydrophobicContact CG2-CB 3.95Å; I1-I67 HydrophobicContact CG2-CD1 3.9Å; I1-I67 HydrophobicContact CG2-CG1 4.21Å; I1-D68 WeakPolarHBondContact CA-O 3.35Å; I1-P69 HydrophobicContact CD1-CB 3.62Å
2G91.1Very high90Very high23 Ų2358.5 Ų58.524%0.23731%0.313CS..BIsolated β-bridgetrans-99168.2173.300000111.8L4 I67 D68G2-L4 VanDerWaalsContact C-N 3.33Å; G2-L4 PolarHBondContact O-N 3.19Å; G2-I67 CarbonylContact O-C 3.59Å; G2-I67 VanDerWaalsContact O-CA 3.31Å; G2-I67 WeakPolarHBondContact O-CA 3.39Å; G2-D68 PolarHBondContact N-O 3.32Å; G2-D68 PolarHBondContact O-N 3.44Å
3G90.3Very high90.1Very high40 Ų4054 Ų5441%0.41229%0.289SS..SBendtrans7615.8175.600000115.1G39G3-G39 PolarHBondContact N-O 2.83Å
4L91.6Very high90.2Very high4 Ų452.9 Ų52.92%0.02129%0.285CS..  trans-62.6151.1177.4-59.7178000110.9I1 G2 T8 L13 I28 G39 L62 I67I1-L4 HydrophobicContact CB-CD2 4.36Å; I1-L4 HydrophobicContact CG2-CD2 3.63Å; I1-L4 HydrophobicContact CG2-CG 4.3Å; G2-L4 VanDerWaalsContact C-N 3.33Å; G2-L4 PolarHBondContact O-N 3.19Å; L4-T8 HydrophobicContact CD2-CG2 4.37Å; L4-L13 HydrophobicContact CD1-CD2 3.87Å; L4-L13 HydrophobicContact CD2-CD1 3.8Å; L4-L13 HydrophobicContact CD2-CD2 4.32Å; L4-I28 HydrophobicContact CD1-CG1 4.41Å; L4-G39 PolarHBondContact N-O 2.6Å; L4-G39 WeakPolarHBondContact O-CA 3.43Å; L4-L62 HydrophobicContact CD2-CD2 4.25Å; L4-I67 HydrophobicContact CD2-CB 4.39Å; L4-I67 HydrophobicContact CD2-CG2 3.83Å
5S90.7Very high90.3Very high9 Ų958.7 Ų58.76%0.06331%0.309CS..  trans-67.5159.2169.4-157.40000111D7 T8 K65S5-D7 PolarHBondContact O-N 2.81Å; S5-T8 WeakPolarHBondContact CA-OG1 3.42Å; S5-T8 WeakPolarHBondContact CB-OG1 3.17Å; S5-T8 PolarHBondContact N-OG1 3.4Å; S5-T8 PolarHBondContact O-N 3.02Å; S5-K65 PolarHBondContact OG-NZ 3.11Å; S5-K65 VanDerWaalsContact OG-NZ 3.12Å
6W88.3Confident90.4Very high139 Ų13956.6 Ų56.653%0.52730%0.296SS..SBendtrans-69-26175.5-65.5-33.9000111.8R36 S37W6-R36 VanDerWaalsContact CH2-NH2 3.29Å; W6-S37 WeakPolarHBondContact O-CB 3.34Å
7D86.9Confident90.4Very high140 Ų14053.3 Ų53.375%0.74928%0.279SS*.SBendtrans-93.8-6.2-179.4-45.5-57.8000112.5S5 S9S5-D7 PolarHBondContact O-N 2.81Å; D7-S9 PolarHBondContact O-N 3.33Å
8T88Confident90.5Very high7 Ų753.8 Ų53.84%0.04329%0.288CS..  trans-64.7122.5178.6-59.20000109.9L4 S5 D12 L13 I28 L62 D63L4-T8 HydrophobicContact CD2-CG2 4.37Å; S5-T8 WeakPolarHBondContact CA-OG1 3.42Å; S5-T8 WeakPolarHBondContact CB-OG1 3.17Å; S5-T8 PolarHBondContact N-OG1 3.4Å; S5-T8 PolarHBondContact O-N 3.02Å; T8-D12 HydrophobicContact CG2-CB 4.4Å; T8-L13 HydrophobicContact CG2-CB 4.37Å; T8-I28 HydrophobicContact CG2-CD1 4.44Å; T8-I28 VanDerWaalsContact O-CD1 3.24Å; T8-I28 WeakPolarHBondContact O-CD1 3.3Å; T8-L62 HydrophobicContact CG2-CD2 3.55Å; T8-L62 HydrophobicContact CG2-CG 4.36Å; T8-D63 WeakPolarHBondContact CA-OD2 3.42Å; T8-D63 VanDerWaalsContact CB-OD2 3.3Å; T8-D63 WeakPolarHBondContact CB-OD2 3.35Å; T8-D63 PolarHBondContact OG1-OD2 3.39Å
9S90.1Very high90.5Very high38 Ų3859.5 Ų59.527%0.26631%0.305SS..  trans-90.7168.417874.10000112.6D7 E11 D12 L13 I28D7-S9 PolarHBondContact O-N 3.33Å; S9-E11 WeakPolarHBondContact CB-OE2 3.27Å; S9-E11 PolarHBondContact O-N 2.67Å; S9-E11 PolarHBondContact OG-OE2 3.2Å; S9-D12 WeakPolarHBondContact CB-OD2 3.24Å; S9-D12 PolarHBondContact N-OD2 3.13Å; S9-D12 PolarHBondContact O-N 3.27Å; S9-D12 PolarHBondContact OG-N 3.12Å; S9-D12 PolarHBondContact OG-OD2 3.41Å; S9-L13 PolarHBondContact O-N 3.42Å; S9-I28 VanDerWaalsContact O-CD1 3.3Å; S9-I28 WeakPolarHBondContact O-CD1 3.3Å
10K90.4Very high90.5Very high90 Ų9057.8 Ų57.839%0.39130%0.295SS..Hα-helixtrans-61.7-38.3176.3171.6177.7171.2155.60109.7T14 D25 C26K10-T14 VanDerWaalsContact O-CB 3.29Å; K10-T14 WeakPolarHBondContact O-CB 3.43Å; K10-T14 PolarHBondContact O-N 2.95Å; K10-T14 PolarHBondContact O-OG1 2.89Å; K10-D25 IonicContact NZ-OD1 3.64Å; K10-C26 HydrophobicContact CD-CB 4.44Å; K10-C26 VanDerWaalsContact CD-O 3.23Å; K10-C26 WeakPolarHBondContact CD-O 3.42Å; K10-C26 WeakPolarHBondContact CE-O 3.06Å; K10-C26 HydrophobicContact CG-CB 3.92Å; K10-C26 PolarHBondContact NZ-O 3.49Å
11E91.3Very high90.4Very high126 Ų12655.9 Ų55.959%0.58929%0.29SS*.Hα-helixtrans-63.3-52.2-178.9-63.867.6-149.100109.8S9 L13 T14 E15S9-E11 WeakPolarHBondContact CB-OE2 3.27Å; S9-E11 PolarHBondContact O-N 2.67Å; S9-E11 PolarHBondContact OG-OE2 3.2Å; E11-L13 VanDerWaalsContact C-N 3.32Å; E11-L13 PolarHBondContact O-N 3.2Å; E11-T14 PolarHBondContact O-N 3.05Å; E11-T14 VanDerWaalsContact O-N 3.11Å; E11-E15 WeakPolarHBondContact O-CB 3.23Å; E11-E15 PolarHBondContact O-N 2.6Å
12D91.5Very high90.6Very high57 Ų5759.8 Ų59.831%0.30531%0.308SS..Hα-helixtrans-58.9-44.1179.6-55-42.1000111.6T8 S9 T14 Y16T8-D12 HydrophobicContact CG2-CB 4.4Å; S9-D12 WeakPolarHBondContact CB-OD2 3.24Å; S9-D12 PolarHBondContact N-OD2 3.13Å; S9-D12 PolarHBondContact O-N 3.27Å; S9-D12 PolarHBondContact OG-N 3.12Å; S9-D12 PolarHBondContact OG-OD2 3.41Å; D12-T14 VanDerWaalsContact C-N 3.34Å; D12-T14 PolarHBondContact O-N 2.64Å; D12-Y16 VanDerWaalsContact O-CB 3.29Å; D12-Y16 WeakPolarHBondContact O-CB 3.29Å; D12-Y16 PolarHBondContact O-N 2.88Å
13L90.8Very high90.6Very high0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-66.3-39179.3-176.459.4000111.7I1 L4 T8 S9 E11 L17 I28 V43 L62I1-L13 HydrophobicContact CG1-CD1 4.38Å; I1-L13 HydrophobicContact CG2-CD1 4.22Å; L4-L13 HydrophobicContact CD1-CD2 3.87Å; L4-L13 HydrophobicContact CD2-CD1 3.8Å; L4-L13 HydrophobicContact CD2-CD2 4.32Å; T8-L13 HydrophobicContact CG2-CB 4.37Å; S9-L13 PolarHBondContact O-N 3.42Å; E11-L13 VanDerWaalsContact C-N 3.32Å; E11-L13 PolarHBondContact O-N 3.2Å; L13-L17 HydrophobicContact CD1-CD1 3.72Å; L13-L17 HydrophobicContact CD1-CG 4.31Å; L13-L17 HydrophobicContact CG-CD1 4Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.49Å; L13-I28 HydrophobicContact CD2-CG1 4.26Å; L13-V43 HydrophobicContact CD2-CG2 3.85Å; L13-V43 HydrophobicContact CG-CG2 4.12Å; L13-L62 HydrophobicContact CB-CD2 4.38Å; L13-L62 HydrophobicContact CD1-CD2 3.83Å
14T91.8Very high90.6Very high39 Ų3962.3 Ų62.324%0.23931%0.31CS..Hα-helixtrans-69.6-47179.1-57.60000110.5K10 E11 D12 Y16 L17 S18 V23 C26K10-T14 VanDerWaalsContact O-CB 3.29Å; K10-T14 WeakPolarHBondContact O-CB 3.43Å; K10-T14 PolarHBondContact O-N 2.95Å; K10-T14 PolarHBondContact O-OG1 2.89Å; E11-T14 PolarHBondContact O-N 3.05Å; E11-T14 VanDerWaalsContact O-N 3.11Å; D12-T14 VanDerWaalsContact C-N 3.34Å; D12-T14 PolarHBondContact O-N 2.64Å; T14-Y16 VanDerWaalsContact C-N 3.33Å; T14-Y16 PolarHBondContact O-N 2.96Å; T14-L17 PolarHBondContact O-N 3.5Å; T14-S18 VanDerWaalsContact O-CB 3.28Å; T14-S18 WeakPolarHBondContact O-CB 3.46Å; T14-S18 PolarHBondContact O-N 2.93Å; T14-V23 HydrophobicContact CG2-CB 3.99Å; T14-V23 HydrophobicContact CG2-CG1 4.03Å; T14-V23 HydrophobicContact CG2-CG2 4.38Å; T14-C26 VanDerWaalsContact OG1-CB 3.27Å; T14-C26 WeakPolarHBondContact OG1-CB 3.27Å
15E92.2Very high90.4Very high139 Ų13965.5 Ų65.565%0.6533%0.327SS*.Hα-helixtrans-58.9-46.8176.5-175.4179.2172.900110.5E11 L17 S18E11-E15 WeakPolarHBondContact O-CB 3.23Å; E11-E15 PolarHBondContact O-N 2.6Å; E15-L17 PolarHBondContact O-N 2.81Å; E15-S18 PolarHBondContact O-N 3.27Å; E15-S18 PolarHBondContact O-OG 3.45Å
16Y91.2Very high90.4Very high25 Ų2565.1 Ų65.110%0.09833%0.325CS..Hα-helixtrans-59.9-45.7177.7-178.9-97.3000112.2D12 T14 R19 F20 H60 K61 L62 I67D12-Y16 VanDerWaalsContact O-CB 3.29Å; D12-Y16 WeakPolarHBondContact O-CB 3.29Å; D12-Y16 PolarHBondContact O-N 2.88Å; T14-Y16 VanDerWaalsContact C-N 3.33Å; T14-Y16 PolarHBondContact O-N 2.96Å; Y16-R19 VanDerWaalsContact CD2-NH2 3.3Å; Y16-R19 WeakPolarHBondContact O-CD 3.22Å; Y16-R19 VanDerWaalsContact O-CG 3.22Å; Y16-R19 WeakPolarHBondContact O-CG 3.28Å; Y16-R19 PolarHBondContact O-NE 3.05Å; Y16-F20 HydrophobicContact CE1-CE2 4.13Å; Y16-H60 HydrophobicContact CE1-CB 4.26Å; Y16-H60 AromaticContact CE1-ND1 3.68Å; Y16-H60 AromaticContact CZ-ND1 3.9Å; Y16-H60 PolarHBondContact OH-ND1 2.79Å; Y16-K61 VanDerWaalsContact CE2-O 3.3Å; Y16-K61 WeakPolarHBondContact CE2-O 3.23Å; Y16-K61 PolarHBondContact OH-N 3.2Å; Y16-L62 HydrophobicContact CD2-CD1 3.91Å; Y16-L62 HydrophobicContact CG-CD1 3.8Å; Y16-I67 HydrophobicContact CD1-CD1 4.08Å; Y16-I67 HydrophobicContact CE1-CD1 3.81Å
17L90.8Very high90.5Very high1 Ų160.8 Ų60.81%0.00531%0.313CS..Hα-helixtrans-80-20.1-176.1-73.1171.1000113.9I1 L13 T14 E15 R19 F20 V23 V43 F45 V54I1-L17 HydrophobicContact CD1-CD1 4.03Å; I1-L17 HydrophobicContact CG1-CD1 4.04Å; L13-L17 HydrophobicContact CD1-CD1 3.72Å; L13-L17 HydrophobicContact CD1-CG 4.31Å; L13-L17 HydrophobicContact CG-CD1 4Å; L13-L17 WeakPolarHBondContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.49Å; T14-L17 PolarHBondContact O-N 3.5Å; E15-L17 PolarHBondContact O-N 2.81Å; L17-R19 PolarHBondContact O-N 3.21Å; L17-R19 VanDerWaalsContact O-N 3.12Å; L17-F20 HydrophobicContact CD2-CD2 4.06Å; L17-F20 HydrophobicContact CD2-CE2 4.36Å; L17-F20 PolarHBondContact O-N 2.97Å; L17-V23 HydrophobicContact CB-CG2 4.17Å; L17-V43 HydrophobicContact CD1-CB 3.97Å; L17-V43 HydrophobicContact CD1-CG1 3.9Å; L17-V43 HydrophobicContact CD1-CG2 3.58Å; L17-F45 HydrophobicContact CB-CE1 4.36Å; L17-F45 HydrophobicContact CB-CZ 3.87Å; L17-F45 HydrophobicContact CD2-CZ 4.29Å; L17-F45 HydrophobicContact CG-CZ 4.49Å; L17-F45 WeakPolarHBondContact O-CE1 3.38Å; L17-V54 HydrophobicContact CD2-CG1 4.33Å; L17-V54 HydrophobicContact CD2-CG2 4.06Å
18S91.2Very high90.7Very high63 Ų6355.5 Ų55.544%0.44129%0.285SS..Hα-helixtrans-58.3-25.6177.772.30000113.2T14 E15 F20 G21T14-S18 VanDerWaalsContact O-CB 3.28Å; T14-S18 WeakPolarHBondContact O-CB 3.46Å; T14-S18 PolarHBondContact O-N 2.93Å; E15-S18 PolarHBondContact O-N 3.27Å; E15-S18 PolarHBondContact O-OG 3.45Å; S18-F20 PolarHBondContact O-N 3.12Å; S18-G21 WeakPolarHBondContact CA-O 3.39Å; S18-G21 PolarHBondContact O-N 3.28Å
19R90.8Very high90.8Very high162 Ų16258.1 Ų58.161%0.61130%0.295SS*.THydrogen-bonded Turntrans-63.1-22.2174.978.7-173.165.3-167-7.7113.9Y16 L17Y16-R19 VanDerWaalsContact CD2-NH2 3.3Å; Y16-R19 WeakPolarHBondContact O-CD 3.22Å; Y16-R19 VanDerWaalsContact O-CG 3.22Å; Y16-R19 WeakPolarHBondContact O-CG 3.28Å; Y16-R19 PolarHBondContact O-NE 3.05Å; L17-R19 PolarHBondContact O-N 3.21Å; L17-R19 VanDerWaalsContact O-N 3.12Å
20F90.4Very high90.8Very high25 Ų2559.6 Ų59.611%0.1130%0.303CS..THydrogen-bonded Turntrans-96.9-21.3179.6-55.8-67.2000112.4Y16 L17 S18 S50 K53 V54 L57 H60Y16-F20 HydrophobicContact CE1-CE2 4.13Å; L17-F20 HydrophobicContact CD2-CD2 4.06Å; L17-F20 HydrophobicContact CD2-CE2 4.36Å; L17-F20 PolarHBondContact O-N 2.97Å; S18-F20 PolarHBondContact O-N 3.12Å; F20-S50 WeakPolarHBondContact O-CB 3.25Å; F20-S50 PolarHBondContact O-OG 2.99Å; F20-K53 HydrophobicContact CB-CB 4.47Å; F20-K53 HydrophobicContact CD1-CB 4.33Å; F20-V54 HydrophobicContact CB-CG2 3.55Å; F20-V54 HydrophobicContact CD1-CG2 4.39Å; F20-V54 HydrophobicContact CD2-CG2 3.6Å; F20-V54 HydrophobicContact CE2-CG2 4.42Å; F20-V54 HydrophobicContact CG-CG2 3.57Å; F20-L57 HydrophobicContact CD1-CD1 4.31Å; F20-L57 HydrophobicContact CE1-CD1 3.17Å; F20-L57 HydrophobicContact CE1-CG 4.44Å; F20-L57 HydrophobicContact CE2-CD1 4.49Å; F20-L57 HydrophobicContact CZ-CD1 3.27Å; F20-H60 AromaticContact CE2-CE1 3.97Å; F20-H60 AromaticContact CZ-CE1 3.85Å
21G90.1Very high90.6Very high18 Ų1857.9 Ų57.919%0.18630%0.298CS..SBendtrans164.1178.7171.700000113.6S18 V23 F45 S50S18-G21 WeakPolarHBondContact CA-O 3.39Å; S18-G21 PolarHBondContact O-N 3.28Å; G21-V23 PolarHBondContact O-N 3.22Å; G21-F45 WeakPolarHBondContact O-CE1 3.35Å; G21-S50 WeakPolarHBondContact CA-OG 3.32Å
22E92.8Very high90.3Very high111 Ų11157.8 Ų57.852%0.51931%0.309SS..  trans-67.8117.9-177.7-168.2-177.614900110.9F45 K46E22-F45 WeakPolarHBondContact O-CA 3.45Å; E22-K46 HydrophobicContact CB-CB 4.19Å; E22-K46 HydrophobicContact CB-CD 4.32Å; E22-K46 VanDerWaalsContact CD-NZ 3.28Å; E22-K46 HydrophobicContact CG-CD 4.26Å; E22-K46 PolarHBondContact O-N 3.46Å; E22-K46 WeakPolarHBondContact OE1-CD 3.32Å; E22-K46 IonicContact OE1-NZ 3.05Å; E22-K46 PolarHBondContact OE1-NZ 2.93Å; E22-K46 WeakPolarHBondContact OE2-CD 3.47Å; E22-K46 IonicContact OE2-NZ 2.76Å; E22-K46 PolarHBondContact OE2-NZ 3.43Å
23V92.3Very high90Very high28 Ų2861.4 Ų61.417%0.1733%0.332CS..EExtended strand (participates in β ladder)trans-87.5118.5176.6176.50000108.9T14 L17 G21 D25 C26 V43 L44 F45T14-V23 HydrophobicContact CG2-CB 3.99Å; T14-V23 HydrophobicContact CG2-CG1 4.03Å; T14-V23 HydrophobicContact CG2-CG2 4.38Å; L17-V23 HydrophobicContact CB-CG2 4.17Å; G21-V23 PolarHBondContact O-N 3.22Å; V23-D25 WeakPolarHBondContact CG1-O 3.49Å; V23-C26 HydrophobicContact CG1-CB 4.21Å; V23-V43 HydrophobicContact CB-CG1 4.39Å; V23-V43 HydrophobicContact CG1-CG1 3.58Å; V23-V43 HydrophobicContact CG2-CG1 3.93Å; V23-L44 CarbonylContact C-O 3.47Å; V23-F45 HydrophobicContact CG2-CD1 3.97Å; V23-F45 HydrophobicContact CG2-CE1 3.62Å; V23-F45 HydrophobicContact CG2-CZ 4.32Å
24V90.1Very high89.8Confident87 Ų8765.8 Ų65.853%0.52736%0.359SS..EExtended strand (participates in β ladder)trans-82.9-43.9177.9176.30000110.9L44 K46V24-L44 HydrophobicContact CB-CD2 4.27Å; V24-L44 HydrophobicContact CB-CG 4.29Å; V24-L44 HydrophobicContact CG1-CD2 4.14Å; V24-L44 PolarHBondContact N-O 2.79Å; V24-K46 HydrophobicContact CG2-CB 3.69Å; V24-K46 HydrophobicContact CG2-CG 4.36Å
25D87.6Confident89.4Confident71 Ų7166.4 Ų66.438%0.3837%0.373SS..EExtended strand (participates in β ladder)trans-143.3148177.8-173.732.2000111.2K10 V23 V43 L44K10-D25 IonicContact NZ-OD1 3.64Å; V23-D25 WeakPolarHBondContact CG1-O 3.49Å; D25-V43 CarbonylContact O-C 3.56Å; D25-V43 WeakPolarHBondContact O-CA 3.17Å; D25-L44 HydrophobicContact CB-CB 4.07Å; D25-L44 HydrophobicContact CB-CD2 4.44Å; D25-L44 PolarHBondContact N-O 2.77Å; D25-L44 PolarHBondContact O-N 2.76Å
26C89.4Confident89.1Confident2 Ų266.1 Ų66.11%0.01437%0.366CS..EExtended strand (participates in β ladder)trans-140.5127.8176.3179.60000108.6K10 T14 V23 F42 V43K10-C26 HydrophobicContact CD-CB 4.44Å; K10-C26 VanDerWaalsContact CD-O 3.23Å; K10-C26 WeakPolarHBondContact CD-O 3.42Å; K10-C26 WeakPolarHBondContact CE-O 3.06Å; K10-C26 HydrophobicContact CG-CB 3.92Å; K10-C26 PolarHBondContact NZ-O 3.49Å; T14-C26 VanDerWaalsContact OG1-CB 3.27Å; T14-C26 WeakPolarHBondContact OG1-CB 3.27Å; V23-C26 HydrophobicContact CG1-CB 4.21Å; C26-F42 WeakPolarHBondContact CA-O 3.46Å; C26-V43 HydrophobicContact CB-CG2 4.37Å
27T89.8Confident89.1Confident47 Ų4765.5 Ų65.529%0.28837%0.365SS..EExtended strand (participates in β ladder)trans-135.7115.3-178.3-68.30000109.9K29 G41 F42T27-K29 HydrophobicContact CG2-CD 4.36Å; T27-G41 CarbonylContact O-C 3.47Å; T27-G41 WeakPolarHBondContact O-CA 3.3Å; T27-F42 PolarHBondContact N-O 3.05Å; T27-F42 PolarHBondContact O-N 2.8Å
28I91.3Very high88.9Confident29 Ų2972.8 Ų72.815%0.14939%0.393CS..EExtended strand (participates in β ladder)trans-87.6135170-62.4-175.4000109.1L4 T8 S9 L13 T30L4-I28 HydrophobicContact CD1-CG1 4.41Å; T8-I28 HydrophobicContact CG2-CD1 4.44Å; T8-I28 VanDerWaalsContact O-CD1 3.24Å; T8-I28 WeakPolarHBondContact O-CD1 3.3Å; S9-I28 VanDerWaalsContact O-CD1 3.3Å; S9-I28 WeakPolarHBondContact O-CD1 3.3Å; L13-I28 HydrophobicContact CD2-CG1 4.26Å; I28-T30 PolarHBondContact O-N 3.49Å
29K89.8Confident88.9Confident62 Ų6270.4 Ų70.427%0.2738%0.378SS..EExtended strand (participates in β ladder)trans-86.2114.3175.3-67.3-52.6-176.5-163.40109.4T27 R38 F40 F42T27-K29 HydrophobicContact CG2-CD 4.36Å; K29-R38 WeakPolarHBondContact O-CB 3.47Å; K29-R38 WeakPolarHBondContact O-CG 3.32Å; K29-R38 PolarHBondContact O-N 3.45Å; K29-F40 HydrophobicContact CB-CD2 4.19Å; K29-F40 HydrophobicContact CB-CE1 4.15Å; K29-F40 HydrophobicContact CB-CE2 3.74Å; K29-F40 HydrophobicContact CB-CZ 3.7Å; K29-F40 HydrophobicContact CG-CD2 4.06Å; K29-F40 HydrophobicContact CG-CE2 3.46Å; K29-F40 VanDerWaalsContact CG-CE2 3.46Å; K29-F40 HydrophobicContact CG-CZ 3.85Å; K29-F40 PolarHBondContact N-O 2.86Å; K29-F42 HydrophobicContact CD-CE2 4.45Å; K29-F42 HydrophobicContact CG-CD2 4.19Å; K29-F42 HydrophobicContact CG-CE2 3.89Å
30T90.9Very high88.9Confident69 Ų6965.7 Ų65.742%0.42336%0.362SS..EExtended strand (participates in β ladder)trans-101.9158.6170.652.90000110.3I28 G35 R36I28-T30 PolarHBondContact O-N 3.49Å; T30-G35 WeakPolarHBondContact CB-O 3.42Å; T30-G35 WeakPolarHBondContact CG2-O 3.48Å; T30-R36 CarbonylContact C-O 3.56Å; T30-R36 WeakPolarHBondContact CA-O 3.17Å
31D86.9Confident89Confident54 Ų5464.6 Ų64.629%0.28936%0.358SS..  trans-70.2124.1167.4176.6-7000108.6V33 T34 G35 R36D31-V33 PolarHBondContact O-N 2.83Å; D31-V33 PolarHBondContact OD1-N 2.79Å; D31-T34 VanDerWaalsContact CB-OG1 3.3Å; D31-T34 WeakPolarHBondContact CB-OG1 3.21Å; D31-T34 PolarHBondContact OD2-OG1 3.49Å; D31-G35 WeakPolarHBondContact O-CA 3.22Å; D31-G35 PolarHBondContact O-N 3.06Å; D31-R36 PolarHBondContact N-O 3.19Å
32P84.4Confident89.1Confident125 Ų12567.7 Ų67.781%0.81237%0.366SS*.THydrogen-bonded Turntrans-65.3-21.5-178.326.4-34.9000114
33V85.5Confident89Confident132 Ų13264 Ų6480%0.835%0.351SS*.THydrogen-bonded Turntrans-88.8-45.9-178.9-177.40000111D31D31-V33 PolarHBondContact O-N 2.83Å; D31-V33 PolarHBondContact OD1-N 2.79Å
34T87.1Confident88.9Confident92 Ų9267.4 Ų67.456%0.56437%0.368SS*.THydrogen-bonded Turntrans-98-10.9-173.764.10000113.6D31 R36D31-T34 VanDerWaalsContact CB-OG1 3.3Å; D31-T34 WeakPolarHBondContact CB-OG1 3.21Å; D31-T34 PolarHBondContact OD2-OG1 3.49Å; T34-R36 PolarHBondContact O-N 3.41Å; T34-R36 PolarHBondContact OG1-N 2.8Å
35G83.1Confident89.1Confident52 Ų5264.4 Ų64.454%0.53635%0.348SS..  trans69.1-4.8-173.700000114.3T30 D31T30-G35 WeakPolarHBondContact CB-O 3.42Å; T30-G35 WeakPolarHBondContact CG2-O 3.48Å; D31-G35 WeakPolarHBondContact O-CA 3.22Å; D31-G35 PolarHBondContact O-N 3.06Å
36R86.3Confident89.2Confident134 Ų13466.8 Ų66.851%0.50636%0.355SS..  trans-71.5140-174.5-167.4179.4-171.8166.17.2111.4W6 T30 D31 T34 R38W6-R36 VanDerWaalsContact CH2-NH2 3.29Å; T30-R36 CarbonylContact C-O 3.56Å; T30-R36 WeakPolarHBondContact CA-O 3.17Å; D31-R36 PolarHBondContact N-O 3.19Å; T34-R36 PolarHBondContact O-N 3.41Å; T34-R36 PolarHBondContact OG1-N 2.8Å; R36-R38 PolarHBondContact O-N 3.33Å
37S89.6Confident89.3Confident11 Ų1170.8 Ų70.88%0.07738%0.376CS..EExtended strand (participates in β ladder)trans-59.2132.9173174.20000111.3W6 G39W6-S37 WeakPolarHBondContact O-CB 3.34Å; S37-G39 PolarHBondContact O-N 3.4Å; S37-G39 PolarHBondContact OG-N 2.79Å
38R88.2Confident89.2Confident155 Ų15572 Ų7259%0.58539%0.391SS*.EExtended strand (participates in β ladder)trans-80.14.4175-60.1177.562-179.5-1.1112.2K29 R36 F40K29-R38 WeakPolarHBondContact O-CB 3.47Å; K29-R38 WeakPolarHBondContact O-CG 3.32Å; K29-R38 PolarHBondContact O-N 3.45Å; R36-R38 PolarHBondContact O-N 3.33Å; R38-F40 VanDerWaalsContact C-N 3.31Å; R38-F40 HydrophobicContact CB-CD1 3.8Å; R38-F40 HydrophobicContact CB-CE1 3.54Å; R38-F40 HydrophobicContact CG-CE1 4.47Å; R38-F40 WeakPolarHBondContact O-CD1 3.31Å; R38-F40 PolarHBondContact O-N 2.93Å
39G89.8Confident89.2Confident12 Ų1273.5 Ų73.512%0.12440%0.404CS..EExtended strand (participates in β ladder)trans74.718.6179.100000114G3 L4 S37G3-G39 PolarHBondContact N-O 2.83Å; L4-G39 PolarHBondContact N-O 2.6Å; L4-G39 WeakPolarHBondContact O-CA 3.43Å; S37-G39 PolarHBondContact O-N 3.4Å; S37-G39 PolarHBondContact OG-N 2.79Å
40F91.7Very high89.3Confident64 Ų6470.7 Ų70.728%0.28139%0.392SS..EExtended strand (participates in β ladder)trans-149.9155172.873.1-84.9000112.2I1 K29 R38 F42I1-F40 CarbonylContact O-C 3.56Å; I1-F40 VanDerWaalsContact O-CA 3.23Å; I1-F40 WeakPolarHBondContact O-CA 3.38Å; I1-F40 WeakPolarHBondContact O-CB 3.47Å; K29-F40 HydrophobicContact CB-CD2 4.19Å; K29-F40 HydrophobicContact CB-CE1 4.15Å; K29-F40 HydrophobicContact CB-CE2 3.74Å; K29-F40 HydrophobicContact CB-CZ 3.7Å; K29-F40 HydrophobicContact CG-CD2 4.06Å; K29-F40 HydrophobicContact CG-CE2 3.46Å; K29-F40 VanDerWaalsContact CG-CE2 3.46Å; K29-F40 HydrophobicContact CG-CZ 3.85Å; K29-F40 PolarHBondContact N-O 2.86Å; R38-F40 VanDerWaalsContact C-N 3.31Å; R38-F40 HydrophobicContact CB-CD1 3.8Å; R38-F40 HydrophobicContact CB-CE1 3.54Å; R38-F40 HydrophobicContact CG-CE1 4.47Å; R38-F40 WeakPolarHBondContact O-CD1 3.31Å; R38-F40 PolarHBondContact O-N 2.93Å; F40-F42 HydrophobicContact CD2-CE2 4.16Å; F40-F42 HydrophobicContact CD2-CZ 4.47Å; F40-F42 AromaticContact CE2-CE2 3.89Å; F40-F42 HydrophobicContact CE2-CE2 3.89Å; F40-F42 HydrophobicContact CE2-CZ 4.24Å
41G91.8Very high89.3Confident1 Ų169.4 Ų69.41%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-149.7169.2-179.200000112.5I1 T27I1-G41 PolarHBondContact N-O 2.77Å; I1-G41 PolarHBondContact O-N 3.28Å; T27-G41 CarbonylContact O-C 3.47Å; T27-G41 WeakPolarHBondContact O-CA 3.3Å
42F92.6Very high89.5Confident84 Ų8472 Ų7237%0.36839%0.394SS..EExtended strand (participates in β ladder)trans-117.7140.6176.7-62.4-85.9000109C26 T27 K29 F40 A72C26-F42 WeakPolarHBondContact CA-O 3.46Å; T27-F42 PolarHBondContact N-O 3.05Å; T27-F42 PolarHBondContact O-N 2.8Å; K29-F42 HydrophobicContact CD-CE2 4.45Å; K29-F42 HydrophobicContact CG-CD2 4.19Å; K29-F42 HydrophobicContact CG-CE2 3.89Å; F40-F42 HydrophobicContact CD2-CE2 4.16Å; F40-F42 HydrophobicContact CD2-CZ 4.47Å; F40-F42 AromaticContact CE2-CE2 3.89Å; F40-F42 HydrophobicContact CE2-CE2 3.89Å; F40-F42 HydrophobicContact CE2-CZ 4.24Å; F42-A72 HydrophobicContact CD1-CB 4.27Å
43V91.8Very high89.8Confident32 Ų3271.4 Ų71.419%0.19438%0.379CS..EExtended strand (participates in β ladder)trans-133.8130.6179.1-1790000107.2I1 L13 L17 V23 D25 C26 F45I1-V43 HydrophobicContact CG1-CG2 4.07Å; L13-V43 HydrophobicContact CD2-CG2 3.85Å; L13-V43 HydrophobicContact CG-CG2 4.12Å; L17-V43 HydrophobicContact CD1-CB 3.97Å; L17-V43 HydrophobicContact CD1-CG1 3.9Å; L17-V43 HydrophobicContact CD1-CG2 3.58Å; V23-V43 HydrophobicContact CB-CG1 4.39Å; V23-V43 HydrophobicContact CG1-CG1 3.58Å; V23-V43 HydrophobicContact CG2-CG1 3.93Å; D25-V43 CarbonylContact O-C 3.56Å; D25-V43 WeakPolarHBondContact O-CA 3.17Å; C26-V43 HydrophobicContact CB-CG2 4.37Å; V43-F45 HydrophobicContact CG1-CE2 4.3Å; V43-F45 HydrophobicContact CG1-CZ 4.48Å
44L90.3Very high90.1Very high100 Ų10065.3 Ų65.352%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-106.6116.3176.6-177.565.5000107.5V23 V24 D25V23-L44 CarbonylContact C-O 3.47Å; V24-L44 HydrophobicContact CB-CD2 4.27Å; V24-L44 HydrophobicContact CB-CG 4.29Å; V24-L44 HydrophobicContact CG1-CD2 4.14Å; V24-L44 PolarHBondContact N-O 2.79Å; D25-L44 HydrophobicContact CB-CB 4.07Å; D25-L44 HydrophobicContact CB-CD2 4.44Å; D25-L44 PolarHBondContact N-O 2.77Å; D25-L44 PolarHBondContact O-N 2.76Å
45F92.9Very high90.2Very high25 Ų2564 Ų6411%0.1133%0.331CS..EExtended strand (participates in β ladder)trans-87.2154.1169.7-73.3-78.2000110.3L17 G21 E22 V23 V43 V51 V54L17-F45 HydrophobicContact CB-CE1 4.36Å; L17-F45 HydrophobicContact CB-CZ 3.87Å; L17-F45 HydrophobicContact CD2-CZ 4.29Å; L17-F45 HydrophobicContact CG-CZ 4.49Å; L17-F45 WeakPolarHBondContact O-CE1 3.38Å; G21-F45 WeakPolarHBondContact O-CE1 3.35Å; E22-F45 WeakPolarHBondContact O-CA 3.45Å; V23-F45 HydrophobicContact CG2-CD1 3.97Å; V23-F45 HydrophobicContact CG2-CE1 3.62Å; V23-F45 HydrophobicContact CG2-CZ 4.32Å; V43-F45 HydrophobicContact CG1-CE2 4.3Å; V43-F45 HydrophobicContact CG1-CZ 4.48Å; F45-V51 HydrophobicContact CB-CG2 4.45Å; F45-V51 HydrophobicContact CD2-CG2 3.85Å; F45-V54 HydrophobicContact CE2-CG2 3.99Å; F45-V54 HydrophobicContact CZ-CG2 3.86Å
46K90.4Very high90.5Very high121 Ų12169 Ų6953%0.52634%0.341SS..SBendtrans-66-44.2171-172.7172.4-179.7173.20111.4E22 V24E22-K46 HydrophobicContact CB-CB 4.19Å; E22-K46 HydrophobicContact CB-CD 4.32Å; E22-K46 VanDerWaalsContact CD-NZ 3.28Å; E22-K46 HydrophobicContact CG-CD 4.26Å; E22-K46 PolarHBondContact O-N 3.46Å; E22-K46 WeakPolarHBondContact OE1-CD 3.32Å; E22-K46 IonicContact OE1-NZ 3.05Å; E22-K46 PolarHBondContact OE1-NZ 2.93Å; E22-K46 WeakPolarHBondContact OE2-CD 3.47Å; E22-K46 IonicContact OE2-NZ 2.76Å; E22-K46 PolarHBondContact OE2-NZ 3.43Å; V24-K46 HydrophobicContact CG2-CB 3.69Å; V24-K46 HydrophobicContact CG2-CG 4.36Å
47D90.8Very high90.6Very high86 Ų8666.5 Ų66.546%0.4634%0.337SS..SBendtrans-109140.5-177.3-62.2-54.8000112.1S49 S50D47-S49 PolarHBondContact O-N 3.26Å; D47-S50 WeakPolarHBondContact O-CB 3.43Å; D47-S50 PolarHBondContact O-N 2.93Å
48A88.4Confident90.1Very high73 Ų7376 Ų7660%0.60338%0.377SS*.Hα-helixtrans-66-27.6174.700000112.5S50 V51 E52A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.47Å; A48-V51 WeakPolarHBondContact O-CB 3.43Å; A48-V51 PolarHBondContact O-N 2.65Å; A48-V51 VanDerWaalsContact O-N 3.15Å; A48-E52 PolarHBondContact O-N 3.36Å
49S91.8Very high90.2Very high59 Ų5976 Ų7641%0.41338%0.383SS..Hα-helixtrans-63.8-30.8177.661.60000112.4D47 V51 E52 K53D47-S49 PolarHBondContact O-N 3.26Å; S49-V51 VanDerWaalsContact C-N 3.29Å; S49-V51 PolarHBondContact O-N 2.77Å; S49-E52 PolarHBondContact O-N 3.49Å; S49-K53 WeakPolarHBondContact O-CG 3.47Å; S49-K53 PolarHBondContact O-N 2.82Å; S49-K53 VanDerWaalsContact O-N 3.13Å
50S92Very high90.2Very high3 Ų375.5 Ų75.52%0.02138%0.378CS..Hα-helixtrans-63.1-37174.9-54.10000111.8F20 G21 D47 A48 E52 K53 V54F20-S50 WeakPolarHBondContact O-CB 3.25Å; F20-S50 PolarHBondContact O-OG 2.99Å; G21-S50 WeakPolarHBondContact CA-OG 3.32Å; D47-S50 WeakPolarHBondContact O-CB 3.43Å; D47-S50 PolarHBondContact O-N 2.93Å; A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.47Å; S50-E52 VanDerWaalsContact C-N 3.31Å; S50-E52 PolarHBondContact O-N 2.88Å; S50-K53 PolarHBondContact O-N 2.96Å; S50-V54 VanDerWaalsContact O-CG2 3.32Å; S50-V54 WeakPolarHBondContact O-CG2 3.49Å; S50-V54 PolarHBondContact O-N 3.38Å; S50-V54 VanDerWaalsContact O-N 3.1Å
51V90.1Very high90.1Very high43 Ų4378.8 Ų78.826%0.26139%0.392SS..Hα-helixtrans-65.4-37.9176.5-179.50000110.9F45 A48 S49 V54 L55 R71F45-V51 HydrophobicContact CB-CG2 4.45Å; F45-V51 HydrophobicContact CD2-CG2 3.85Å; A48-V51 WeakPolarHBondContact O-CB 3.43Å; A48-V51 PolarHBondContact O-N 2.65Å; A48-V51 VanDerWaalsContact O-N 3.15Å; S49-V51 VanDerWaalsContact C-N 3.29Å; S49-V51 PolarHBondContact O-N 2.77Å; V51-V54 PolarHBondContact O-N 3.43Å; V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 HydrophobicContact CG1-CG 4.42Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.45Å; V51-L55 PolarHBondContact O-N 2.82Å; V51-R71 HydrophobicContact CG1-CG 4.33Å
52E90.4Very high89.9Confident109 Ų10979.5 Ų79.551%0.50940%0.395SS..Hα-helixtrans-66.4-44.5178.2-69.8175.7-18000111.7A48 S49 S50 V54 L55 E56 R71A48-E52 PolarHBondContact O-N 3.36Å; S49-E52 PolarHBondContact O-N 3.49Å; S50-E52 VanDerWaalsContact C-N 3.31Å; S50-E52 PolarHBondContact O-N 2.88Å; E52-V54 VanDerWaalsContact C-N 3.3Å; E52-V54 PolarHBondContact O-N 3.1Å; E52-L55 CarbonylContact O-C 3.41Å; E52-L55 PolarHBondContact O-N 3.37Å; E52-L55 VanDerWaalsContact O-N 3.1Å; E52-E56 WeakPolarHBondContact O-CB 3.4Å; E52-E56 PolarHBondContact O-N 3Å; E52-R71 IonicContact OE1-NH2 3.65Å
53K91.1Very high89.6Confident111 Ų11179.3 Ų79.348%0.48340%0.398SS..Hα-helixtrans-60-39175.2-67.2174.3-175.91760112.7F20 S49 S50F20-K53 HydrophobicContact CB-CB 4.47Å; F20-K53 HydrophobicContact CD1-CB 4.33Å; S49-K53 WeakPolarHBondContact O-CG 3.47Å; S49-K53 PolarHBondContact O-N 2.82Å; S49-K53 VanDerWaalsContact O-N 3.13Å; S50-K53 PolarHBondContact O-N 2.96Å
54V91.1Very high89.2Confident5 Ų580.7 Ų80.73%0.0342%0.419CS..Hα-helixtrans-63.5-48.7173.71740000109.6L17 F20 F45 S50 V51 E52 E56 L57 H60 P69L17-V54 HydrophobicContact CD2-CG1 4.33Å; L17-V54 HydrophobicContact CD2-CG2 4.06Å; F20-V54 HydrophobicContact CB-CG2 3.55Å; F20-V54 HydrophobicContact CD1-CG2 4.39Å; F20-V54 HydrophobicContact CD2-CG2 3.6Å; F20-V54 HydrophobicContact CE2-CG2 4.42Å; F20-V54 HydrophobicContact CG-CG2 3.57Å; F45-V54 HydrophobicContact CE2-CG2 3.99Å; F45-V54 HydrophobicContact CZ-CG2 3.86Å; S50-V54 VanDerWaalsContact O-CG2 3.32Å; S50-V54 WeakPolarHBondContact O-CG2 3.49Å; S50-V54 PolarHBondContact O-N 3.38Å; S50-V54 VanDerWaalsContact O-N 3.1Å; V51-V54 PolarHBondContact O-N 3.43Å; E52-V54 VanDerWaalsContact C-N 3.3Å; E52-V54 PolarHBondContact O-N 3.1Å; V54-E56 VanDerWaalsContact C-N 3.29Å; V54-E56 PolarHBondContact O-N 3.42Å; V54-L57 PolarHBondContact O-N 3.15Å; V54-H60 PolarHBondContact O-CE1 3.3Å; V54-H60 PolarHBondContact O-NE2 3.36Å; V54-P69 HydrophobicContact CG1-CB 3.41Å; V54-P69 VanDerWaalsContact CG1-CB 3.41Å; V54-P69 HydrophobicContact CG1-CG 3.59Å
55L90.4Very high89.1Confident63 Ų6379.7 Ų79.733%0.3341%0.41SS..Hα-helixtrans-72.5-21.2-176.9-65.3168.4000114.3V51 E52 L57 P69 R71V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 HydrophobicContact CG1-CG 4.42Å; V51-L55 VanDerWaalsContact O-CG 3.24Å; V51-L55 WeakPolarHBondContact O-CG 3.45Å; V51-L55 PolarHBondContact O-N 2.82Å; E52-L55 CarbonylContact O-C 3.41Å; E52-L55 PolarHBondContact O-N 3.37Å; E52-L55 VanDerWaalsContact O-N 3.1Å; L55-L57 VanDerWaalsContact C-N 3.28Å; L55-P69 VanDerWaalsContact CD2-O 3.28Å; L55-P69 WeakPolarHBondContact CD2-O 3.39Å; L55-R71 HydrophobicContact CD1-CG 3.48Å; L55-R71 VanDerWaalsContact CD1-CG 3.48Å
56E89.8Confident89Confident159 Ų15984 Ų8474%0.74343%0.434SS*.Hα-helixtrans-67.6-31.6175.3-173.9172-163.400111.6E52 V54 K58E52-E56 WeakPolarHBondContact O-CB 3.4Å; E52-E56 PolarHBondContact O-N 3Å; V54-E56 VanDerWaalsContact C-N 3.29Å; V54-E56 PolarHBondContact O-N 3.42Å; E56-K58 PolarHBondContact O-N 3.44Å
57L87.2Confident89.2Confident81 Ų8178.7 Ų78.742%0.42441%0.411SS..  trans-74117.6170.6-77170.5000110.3F20 V54 L55 E59 H60F20-L57 HydrophobicContact CD1-CD1 4.31Å; F20-L57 HydrophobicContact CE1-CD1 3.17Å; F20-L57 HydrophobicContact CE1-CG 4.44Å; F20-L57 HydrophobicContact CE2-CD1 4.49Å; F20-L57 HydrophobicContact CZ-CD1 3.27Å; V54-L57 PolarHBondContact O-N 3.15Å; L55-L57 VanDerWaalsContact C-N 3.28Å; L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 PolarHBondContact O-N 3.47Å; L57-H60 WeakPolarHBondContact CB-NE2 3.47Å; L57-H60 PolarHBondContact O-NE2 2.83Å
58K80.6Confident89.1Confident211 Ų21179.7 Ų79.792%0.91742%0.416SS*.SBendtrans-67-28.2178.9-70.4-175.5177.8178.50113.4E56E56-K58 PolarHBondContact O-N 3.44Å
59E88.4Confident89.3Confident153 Ų15377 Ų7772%0.71539%0.393SS*.  trans-135.2127.6-174.7-64.2-173.516600110.9L57L57-E59 VanDerWaalsContact C-N 3.27Å; L57-E59 PolarHBondContact O-N 3.47Å
60H89.9Confident89.2Confident3 Ų381.3 Ų81.31%0.01440%0.404CS..EExtended strand (participates in β ladder)trans-121137.7172.3-67.7-89.8000109.8Y16 F20 V54 L57 L66 I67 P69Y16-H60 HydrophobicContact CE1-CB 4.26Å; Y16-H60 AromaticContact CE1-ND1 3.68Å; Y16-H60 AromaticContact CZ-ND1 3.9Å; Y16-H60 PolarHBondContact OH-ND1 2.79Å; F20-H60 AromaticContact CE2-CE1 3.97Å; F20-H60 AromaticContact CZ-CE1 3.85Å; V54-H60 PolarHBondContact O-CE1 3.3Å; V54-H60 PolarHBondContact O-NE2 3.36Å; L57-H60 WeakPolarHBondContact CB-NE2 3.47Å; L57-H60 PolarHBondContact O-NE2 2.83Å; H60-L66 CarbonylContact O-C 3.59Å; H60-L66 VanDerWaalsContact O-CA 3.32Å; H60-L66 WeakPolarHBondContact O-CA 3.34Å; H60-I67 HydrophobicContact CB-CD1 3.82Å; H60-I67 HydrophobicContact CB-CG1 3.25Å; H60-I67 PolarHBondContact O-N 3.36Å; H60-P69 WeakPolarHBondContact CD2-CG 3.21Å; H60-P69 WeakPolarHBondContact NE2-CG 3.47Å
61K89.9Confident89.1Confident133 Ų13387.8 Ų87.858%0.57843%0.428SS*.EExtended strand (participates in β ladder)trans-130127.2179.8-168.5176.3178.41780110Y16 G64 K65 L66Y16-K61 VanDerWaalsContact CE2-O 3.3Å; Y16-K61 WeakPolarHBondContact CE2-O 3.23Å; Y16-K61 PolarHBondContact OH-N 3.2Å; K61-G64 WeakPolarHBondContact CE-O 3.5Å; K61-K65 CarbonylContact C-O 3.55Å; K61-K65 VanDerWaalsContact CA-O 3.27Å; K61-K65 WeakPolarHBondContact CA-O 3.38Å; K61-K65 WeakPolarHBondContact CG-O 3.4Å; K61-L66 HydrophobicContact CB-CD2 4.35Å
62L88.7Confident88.8Confident15 Ų1589.3 Ų89.38%0.07945%0.445CS..EExtended strand (participates in β ladder)trans-137.4132.8178.1-171.565.9000108.6L4 T8 L13 Y16 G64 K65 I67L4-L62 HydrophobicContact CD2-CD2 4.25Å; T8-L62 HydrophobicContact CG2-CD2 3.55Å; T8-L62 HydrophobicContact CG2-CG 4.36Å; L13-L62 HydrophobicContact CB-CD2 4.38Å; L13-L62 HydrophobicContact CD1-CD2 3.83Å; Y16-L62 HydrophobicContact CD2-CD1 3.91Å; Y16-L62 HydrophobicContact CG-CD1 3.8Å; L62-G64 PolarHBondContact O-N 3.34Å; L62-G64 VanDerWaalsContact O-N 3.13Å; L62-K65 PolarHBondContact N-O 3.1Å; L62-K65 PolarHBondContact O-N 3.36Å; L62-K65 VanDerWaalsContact O-O 3.06Å; L62-I67 HydrophobicContact CB-CD1 4.13Å; L62-I67 HydrophobicContact CB-CG2 3.82Å
63D85.1Confident88.2Confident81 Ų8192.3 Ų92.343%0.43346%0.456SS..THydrogen-bonded Turntrans50.738.4180-49.4-32.2000114.1T8 K65T8-D63 WeakPolarHBondContact CA-OD2 3.42Å; T8-D63 VanDerWaalsContact CB-OD2 3.3Å; T8-D63 WeakPolarHBondContact CB-OD2 3.35Å; T8-D63 PolarHBondContact OG1-OD2 3.39Å; D63-K65 PolarHBondContact O-N 3.31Å
64G83.9Confident86.9Confident60 Ų6091 Ų9162%0.61947%0.466SS*.THydrogen-bonded Turntrans77.5-6.6-178.400000115.2K61 L62K61-G64 WeakPolarHBondContact CE-O 3.5Å; L62-G64 PolarHBondContact O-N 3.34Å; L62-G64 VanDerWaalsContact O-N 3.13Å
65K89.1Confident85.3Confident80 Ų8097.7 Ų97.735%0.34850%0.501SS..EExtended strand (participates in β ladder)trans-102.9148.3177.2-78.9179.7-180159.70112.5S5 K61 L62 D63S5-K65 PolarHBondContact OG-NZ 3.11Å; S5-K65 VanDerWaalsContact OG-NZ 3.12Å; K61-K65 CarbonylContact C-O 3.55Å; K61-K65 VanDerWaalsContact CA-O 3.27Å; K61-K65 WeakPolarHBondContact CA-O 3.38Å; K61-K65 WeakPolarHBondContact CG-O 3.4Å; L62-K65 PolarHBondContact N-O 3.1Å; L62-K65 PolarHBondContact O-N 3.36Å; L62-K65 VanDerWaalsContact O-O 3.06Å; D63-K65 PolarHBondContact O-N 3.31Å
66L90.8Very high83.4Confident116 Ų116104 Ų10461%0.60753%0.526SS*.EExtended strand (participates in β ladder)trans-78.2124.7170.8-71.5171000109.3H60 K61H60-L66 CarbonylContact O-C 3.59Å; H60-L66 VanDerWaalsContact O-CA 3.32Å; H60-L66 WeakPolarHBondContact O-CA 3.34Å; K61-L66 HydrophobicContact CB-CD2 4.35Å
67I93.1Very high81.6Confident9 Ų999.8 Ų99.85%0.04653%0.525CS..EExtended strand (participates in β ladder)trans-103.9144.8177.170.6176.8000109.2I1 G2 L4 Y16 H60 L62 P69I1-I67 HydrophobicContact CG2-CB 3.95Å; I1-I67 HydrophobicContact CG2-CD1 3.9Å; I1-I67 HydrophobicContact CG2-CG1 4.21Å; G2-I67 CarbonylContact O-C 3.59Å; G2-I67 VanDerWaalsContact O-CA 3.31Å; G2-I67 WeakPolarHBondContact O-CA 3.39Å; L4-I67 HydrophobicContact CD2-CB 4.39Å; L4-I67 HydrophobicContact CD2-CG2 3.83Å; Y16-I67 HydrophobicContact CD1-CD1 4.08Å; Y16-I67 HydrophobicContact CE1-CD1 3.81Å; H60-I67 HydrophobicContact CB-CD1 3.82Å; H60-I67 HydrophobicContact CB-CG1 3.25Å; H60-I67 PolarHBondContact O-N 3.36Å; L62-I67 HydrophobicContact CB-CD1 4.13Å; L62-I67 HydrophobicContact CB-CG2 3.82Å; I67-P69 WeakPolarHBondContact O-CD 3.24Å
68D90.4Very high79.8Confident106 Ų106104.3 Ų104.357%0.56754%0.542SS*.BIsolated β-bridgetrans-112.995-179.1-178.731.7000109.7I1 G2 K70I1-D68 WeakPolarHBondContact CA-O 3.35Å; G2-D68 PolarHBondContact N-O 3.32Å; G2-D68 PolarHBondContact O-N 3.44Å; D68-K70 PolarHBondContact O-N 3.13Å
69P91Very high78.4Confident17 Ų17102.3 Ų102.311%0.1154%0.535CS..  trans-72.9127.2170.626.9-27.6000110.3I1 V54 L55 H60 I67I1-P69 HydrophobicContact CD1-CB 3.62Å; V54-P69 HydrophobicContact CG1-CB 3.41Å; V54-P69 VanDerWaalsContact CG1-CB 3.41Å; V54-P69 HydrophobicContact CG1-CG 3.59Å; L55-P69 VanDerWaalsContact CD2-O 3.28Å; L55-P69 WeakPolarHBondContact CD2-O 3.39Å; H60-P69 WeakPolarHBondContact CD2-CG 3.21Å; H60-P69 WeakPolarHBondContact NE2-CG 3.47Å; I67-P69 WeakPolarHBondContact O-CD 3.24Å
70K90.6Very high76.8Confident150 Ų15097.3 Ų97.365%0.65252%0.516SS*.  trans-130.6146.4175.2-171.1169.8-172.6162.80109.4D68 A72D68-K70 PolarHBondContact O-N 3.13Å; K70-A72 PolarHBondContact O-N 3.42Å; K70-A72 VanDerWaalsContact O-N 3.09Å
71R89.4Confident75.5Confident139 Ų13999.1 Ų99.153%0.52553%0.528SS..  trans-54.2119.7170.2-68.3-168.3177-116.43.2108.9V51 E52 L55 K73V51-R71 HydrophobicContact CG1-CG 4.33Å; E52-R71 IonicContact OE1-NH2 3.65Å; L55-R71 HydrophobicContact CD1-CG 3.48Å; L55-R71 VanDerWaalsContact CD1-CG 3.48Å; R71-K73 PolarHBondContact O-N 3.21Å
72A83.3Confident74.8Confident74 Ų7497.8 Ų97.861%0.61252%0.522SS*.  trans-63123.1179.200000108.5F42 K70 A74F42-A72 HydrophobicContact CD1-CB 4.27Å; K70-A72 PolarHBondContact O-N 3.42Å; K70-A72 VanDerWaalsContact O-N 3.09Å; A72-A74 PolarHBondContact O-N 3.35Å
73K78.6Confident74.6Confident173 Ų17399.8 Ų99.875%0.75253%0.531SS*.  trans-76115.2164.5-66.8-175.7178.9-176.30105.9R71 L75R71-K73 PolarHBondContact O-N 3.21Å; K73-L75 PolarHBondContact O-N 3.15Å
74A62.9Low74.7Confident84 Ų8496 Ų9669%0.69451%0.51SS*.  trans-54.5116.4171.800000108A72 K76A72-A74 PolarHBondContact O-N 3.35Å; A74-K76 PolarHBondContact O-N 3.08Å
75L58.3Low74.9Confident145 Ų14595.5 Ų95.576%0.75949%0.491SS*.  trans-6499.1158.9-98.881.6000104.9K73 G77 K78K73-L75 PolarHBondContact O-N 3.15Å; L75-G77 VanDerWaalsContact C-N 3.33Å; L75-G77 PolarHBondContact O-N 3.42Å; L75-K78 PolarHBondContact O-N 3.4Å
76K49.6Very low74.9Confident195 Ų19591.7 Ų91.785%0.84847%0.474SS*.THydrogen-bonded Turntrans-51.7100.4167.3-71.6-175.7178.2-177.90107.1A74A74-K76 PolarHBondContact O-N 3.08Å
77G52.5Low74.7Confident71 Ų7186.5 Ų86.573%0.73245%0.449SS*.THydrogen-bonded Turntrans149.7-0.7-173.800000116.3L75L75-G77 VanDerWaalsContact C-N 3.33Å; L75-G77 PolarHBondContact O-N 3.42Å
78K50.7Low74.2Confident176 Ų17688.4 Ų88.477%0.76547%0.471SS*.  trans-119.81.4173.1-85.5-160.2175.5-151.30115.6L75L75-K78 PolarHBondContact O-N 3.4Å
79E50.5Low73.9Confident168 Ų16884 Ų8479%0.78545%0.447SS*.SBendtrans-73.7128.2155.5-73.1175.3-170.200106.2P81E79-P81 VanDerWaalsContact O-N 3.08Å
80P54.7Low73.4Confident49 Ų4984.3 Ų84.332%0.31845%0.45SS..  trans-55123.2171.621.6-27.6000106.2K82 E133P80-K82 PolarHBondContact O-N 3.39Å; P80-E133 HydrophobicContact CB-CB 4.25Å; P80-E133 HydrophobicContact CG-CB 3.95Å; P80-E133 HydrophobicContact CG-CG 4.44Å; P80-E133 WeakPolarHBondContact CG-OE2 3.48Å
81P61.8Low72.7Confident40 Ų4080.9 Ų80.926%0.2644%0.443SS..  trans-66.7108.1-170.528.9-36000106.7E79 K83 V136 V156E79-P81 VanDerWaalsContact O-N 3.08Å; P81-K83 WeakPolarHBondContact CB-O 3.24Å; P81-K83 PolarHBondContact O-N 2.96Å; P81-V136 WeakPolarHBondContact O-CG1 3.41Å; P81-V156 HydrophobicContact CB-CG1 4.15Å; P81-V156 HydrophobicContact CG-CB 4.05Å; P81-V156 HydrophobicContact CG-CG1 3.52Å; P81-V156 HydrophobicContact CG-CG2 3.78Å
82K76.3Confident72.1Confident105 Ų10580.3 Ų80.346%0.45745%0.45SS..SBendtrans-55.9-16.3168.9-63.5-169.6178.7-157.60112.1P80 T129 Y130 T131P80-K82 PolarHBondContact O-N 3.39Å; K82-T129 HydrophobicContact CB-CG2 4.45Å; K82-T129 CarbonylContact O-C 3.6Å; K82-T129 WeakPolarHBondContact O-CA 3.43Å; K82-Y130 PolarHBondContact O-N 2.8Å; K82-T131 PolarHBondContact NZ-O 3.39Å
83K84.9Confident71.9Confident58 Ų5877 Ų7725%0.25242%0.422SS..EExtended strand (participates in β ladder)trans-98.7126.8176.9-164.7168.7-177.6166.60112P81 E112 F127 I128 A157P81-K83 WeakPolarHBondContact CB-O 3.24Å; P81-K83 PolarHBondContact O-N 2.96Å; K83-E112 IonicContact NZ-OE1 2.78Å; K83-E112 PolarHBondContact NZ-OE1 2.87Å; K83-E112 IonicContact NZ-OE2 2.71Å; K83-E112 PolarHBondContact NZ-OE2 3.14Å; K83-F127 HydrophobicContact CD-CB 4.34Å; K83-F127 HydrophobicContact CG-CB 4.21Å; K83-I128 CarbonylContact C-O 3.57Å; K83-I128 VanDerWaalsContact CA-O 3.3Å; K83-I128 WeakPolarHBondContact CA-O 3.23Å; K83-A157 HydrophobicContact CB-CB 3.91Å; K83-A157 HydrophobicContact CD-CB 4.3Å; K83-A157 HydrophobicContact CG-CB 3.69Å; K83-A157 WeakPolarHBondContact O-CB 3.39Å; K83-A157 PolarHBondContact O-N 3.07Å
84V86.9Confident72.1Confident1 Ų170 Ų701%0.00640%0.395CS..EExtended strand (participates in β ladder)trans-110.6140.4178.8-177.20000109.1V86 F127 I128 Y130 V136 I154V84-V86 HydrophobicContact CG1-CG2 4.28Å; V84-F127 VanDerWaalsContact O-CA 3.23Å; V84-F127 WeakPolarHBondContact O-CA 3.49Å; V84-I128 PolarHBondContact N-O 3.49Å; V84-I128 PolarHBondContact O-N 3.21Å; V84-Y130 HydrophobicContact CG2-CD2 4.3Å; V84-Y130 HydrophobicContact CG2-CE2 4.26Å; V84-V136 HydrophobicContact CG2-CB 4.02Å; V84-V136 HydrophobicContact CG2-CG1 3.68Å; V84-V136 HydrophobicContact CG2-CG2 3.56Å; V84-I154 HydrophobicContact CG1-CG2 3.27Å
85F87.6Confident73.1Confident49 Ų4970.4 Ų70.422%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-96126.2167.8170.9-91.5000108.9F125 F127 I154 K155 A157F85-F125 HydrophobicContact CD2-CD2 4.28Å; F85-F125 HydrophobicContact CE2-CB 3.6Å; F85-F125 HydrophobicContact CE2-CD1 4.45Å; F85-F125 AromaticContact CE2-CD2 3.63Å; F85-F125 HydrophobicContact CE2-CD2 3.63Å; F85-F125 HydrophobicContact CE2-CE2 4.42Å; F85-F125 AromaticContact CE2-CG 3.66Å; F85-F125 HydrophobicContact CE2-CG 3.66Å; F85-F125 HydrophobicContact CZ-CB 3.73Å; F85-F125 HydrophobicContact CZ-CG 4.13Å; F85-F127 HydrophobicContact CB-CD1 4.11Å; F85-F127 HydrophobicContact CB-CE1 4.04Å; F85-F127 HydrophobicContact CD2-CD1 4.11Å; F85-F127 AromaticContact CD2-CE1 3.56Å; F85-F127 HydrophobicContact CD2-CE1 3.56Å; F85-F127 AromaticContact CD2-CZ 3.85Å; F85-F127 HydrophobicContact CD2-CZ 3.85Å; F85-F127 HydrophobicContact CE2-CZ 4.43Å; F85-F127 HydrophobicContact CG-CE1 4.28Å; F85-I154 WeakPolarHBondContact O-CA 3.44Å; F85-K155 HydrophobicContact CB-CB 4.43Å; F85-K155 HydrophobicContact CD1-CB 4.05Å; F85-K155 HydrophobicContact CD1-CD 4.47Å; F85-K155 PolarHBondContact N-O 3.31Å; F85-K155 PolarHBondContact O-N 3.15Å; F85-A157 HydrophobicContact CB-CB 4.44Å
86V88.3Confident74.4Confident0 Ų070 Ų700%038%0.377CS..EExtended strand (participates in β ladder)trans-115.5108.4175.2-175.30000107.5V84 L89 F102 F125 C126 I128 C152 E153V84-V86 HydrophobicContact CG1-CG2 4.28Å; V86-L89 HydrophobicContact CB-CD1 4.37Å; V86-L89 HydrophobicContact CG1-CD1 3.97Å; V86-L89 HydrophobicContact CG1-CD2 3.97Å; V86-L89 HydrophobicContact CG1-CG 3.93Å; V86-F102 HydrophobicContact CB-CZ 4.23Å; V86-F102 HydrophobicContact CG1-CE2 4.01Å; V86-F102 HydrophobicContact CG1-CZ 3.63Å; V86-F102 HydrophobicContact CG2-CE1 4.04Å; V86-F102 HydrophobicContact CG2-CE2 4.05Å; V86-F102 HydrophobicContact CG2-CZ 3.56Å; V86-F125 CarbonylContact O-C 3.57Å; V86-F125 WeakPolarHBondContact O-CA 2.92Å; V86-F125 VanDerWaalsContact O-CB 3.27Å; V86-F125 WeakPolarHBondContact O-CB 3.42Å; V86-C126 PolarHBondContact N-O 3.2Å; V86-C126 PolarHBondContact O-N 3.32Å; V86-I128 HydrophobicContact CG2-CD1 4Å; V86-I128 HydrophobicContact CG2-CG1 4.38Å; V86-C152 HydrophobicContact CG1-CB 3.7Å; V86-E153 WeakPolarHBondContact CA-O 3.46Å
87G86.9Confident76.2Confident7 Ų764.6 Ų64.67%0.07236%0.355CS..EExtended strand (participates in β ladder)trans-106.4160.2179.300000112.6G124 C152 E153G87-G124 CarbonylContact C-O 3.53Å; G87-C152 CarbonylContact O-C 3.57Å; G87-C152 WeakPolarHBondContact O-CA 3.2Å; G87-C152 VanDerWaalsContact O-CB 3.31Å; G87-C152 WeakPolarHBondContact O-CB 3.49Å; G87-E153 PolarHBondContact N-O 3.44Å; G87-E153 PolarHBondContact O-N 3.01Å
88G83.8Confident77.8Confident49 Ų4961.3 Ų61.351%0.50532%0.32SS..  trans77.321.4179.200000114G124 K151G88-G124 PolarHBondContact N-O 3.3Å; G88-K151 VanDerWaalsContact O-O 3.08Å
89L83.9Confident79.6Confident14 Ų1459 Ų597%0.07331%0.31CS..  trans-69138.6171.1-69168.9000109.6V86 T93 I98 G124 C126 I147 C152V86-L89 HydrophobicContact CB-CD1 4.37Å; V86-L89 HydrophobicContact CG1-CD1 3.97Å; V86-L89 HydrophobicContact CG1-CD2 3.97Å; V86-L89 HydrophobicContact CG1-CG 3.93Å; L89-T93 HydrophobicContact CD2-CG2 4.41Å; L89-I98 HydrophobicContact CD1-CD1 3.82Å; L89-G124 PolarHBondContact N-O 3.35Å; L89-G124 VanDerWaalsContact O-CA 3.31Å; L89-G124 WeakPolarHBondContact O-CA 3.42Å; L89-C126 HydrophobicContact CD1-CB 3.86Å; L89-C126 WeakPolarHBondContact CD1-SG 3.38Å; L89-I147 HydrophobicContact CD2-CD1 4.24Å; L89-C152 HydrophobicContact CD2-CB 3.87Å; L89-C152 HydrophobicContact CG-CB 4.31Å
90S80.4Confident81.4Confident24 Ų2458.4 Ų58.417%0.16831%0.307CS..  trans-65142.8172.8-170.70000109.1D92 T93S90-D92 PolarHBondContact O-N 3.09Å; S90-D92 VanDerWaalsContact O-N 3.15Å; S90-T93 WeakPolarHBondContact CB-OG1 3.45Å; S90-T93 WeakPolarHBondContact O-CB 3.24Å; S90-T93 PolarHBondContact O-N 3.22Å; S90-T93 PolarHBondContact O-OG1 3.06Å
91P75Confident83Confident77 Ų7759.7 Ų59.750%0.531%0.306SS..THydrogen-bonded Turntrans-56.9-27.2172.423.6-34.3000112.3T93 R122P91-T93 VanDerWaalsContact C-N 3.3Å; P91-T93 PolarHBondContact O-N 2.93Å; P91-R122 WeakPolarHBondContact O-CD 3.35Å; P91-R122 PolarHBondContact O-NH1 2.99Å
92D77.5Confident84.2Confident128 Ų12857.8 Ų57.868%0.68429%0.294SS*.THydrogen-bonded Turntrans-75.9-15.2178.5-54.7-37.6000113.4S90 S94S90-D92 PolarHBondContact O-N 3.09Å; S90-D92 VanDerWaalsContact O-N 3.15Å; D92-S94 PolarHBondContact O-N 3.49Å
93T79.8Confident84.6Confident3 Ų354.4 Ų54.42%0.01829%0.289CS..  trans-70.4115.4-177.2-55.90000110.6L89 S90 P91 Q97 I98 R122 I147L89-T93 HydrophobicContact CD2-CG2 4.41Å; S90-T93 WeakPolarHBondContact CB-OG1 3.45Å; S90-T93 WeakPolarHBondContact O-CB 3.24Å; S90-T93 PolarHBondContact O-N 3.22Å; S90-T93 PolarHBondContact O-OG1 3.06Å; P91-T93 VanDerWaalsContact C-N 3.3Å; P91-T93 PolarHBondContact O-N 2.93Å; T93-Q97 HydrophobicContact CG2-CB 4.24Å; T93-I98 HydrophobicContact CG2-CD1 4.15Å; T93-I98 HydrophobicContact CG2-CG1 3.76Å; T93-R122 PolarHBondContact O-NH1 2.93Å; T93-I147 HydrophobicContact CG2-CG2 3.77Å
94S82.5Confident84.8Confident26 Ų2655.9 Ų55.918%0.18231%0.312CS..  trans-76.9160.2-179.580.90000112.6D92 E96 Q97 I98D92-S94 PolarHBondContact O-N 3.49Å; S94-E96 WeakPolarHBondContact CB-OE2 3.28Å; S94-E96 PolarHBondContact O-N 3.01Å; S94-E96 PolarHBondContact OG-N 2.96Å; S94-E96 PolarHBondContact OG-OE2 3.1Å; S94-Q97 PolarHBondContact O-N 2.91Å; S94-Q97 PolarHBondContact OG-N 3.02Å; S94-I98 WeakPolarHBondContact O-CG1 3.11Å; S94-I98 PolarHBondContact O-N 3.25Å
95E83.8Confident84.7Confident94 Ų9458.5 Ų58.544%0.43932%0.324SS..Hα-helixtrans-61.9-35174.7-176.8177.3162.500111.3Q97 I98 K99 I111 L113E95-Q97 VanDerWaalsContact C-N 3.34Å; E95-Q97 PolarHBondContact O-N 3.29Å; E95-I98 PolarHBondContact O-N 3.43Å; E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 PolarHBondContact O-N 3.41Å; E95-I111 HydrophobicContact CG-CD1 4.49Å; E95-L113 HydrophobicContact CB-CD1 3.8Å; E95-L113 HydrophobicContact CG-CD1 3.69Å
96E85.8Confident84.6Confident137 Ų13757.2 Ų57.264%0.6432%0.324SS*.Hα-helixtrans-62.4-43177.8-53.994-172.200111.4S94 I98 K99 E100S94-E96 WeakPolarHBondContact CB-OE2 3.28Å; S94-E96 PolarHBondContact O-N 3.01Å; S94-E96 PolarHBondContact OG-N 2.96Å; S94-E96 PolarHBondContact OG-OE2 3.1Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 3.46Å; E96-K99 PolarHBondContact O-N 2.83Å; E96-E100 WeakPolarHBondContact O-CB 3.22Å; E96-E100 PolarHBondContact O-N 3.49Å
97Q86.1Confident84.6Confident81 Ų8163.9 Ų63.938%0.37936%0.355SS..Hα-helixtrans-63-40177.6-69.9177-27.200112.2T93 S94 E95 Y101T93-Q97 HydrophobicContact CG2-CB 4.24Å; S94-Q97 PolarHBondContact O-N 2.91Å; S94-Q97 PolarHBondContact OG-N 3.02Å; E95-Q97 VanDerWaalsContact C-N 3.34Å; E95-Q97 PolarHBondContact O-N 3.29Å; Q97-Y101 WeakPolarHBondContact O-CB 3.47Å; Q97-Y101 PolarHBondContact O-N 2.81Å
98I86.2Confident84.7Confident1 Ų165 Ų651%0.00536%0.359CS..Hα-helixtrans-63.8-49.2175.4-66.6168.8000108.8L89 T93 S94 E95 E96 E100 Y101 F102 I111 L113 I128L89-I98 HydrophobicContact CD1-CD1 3.82Å; T93-I98 HydrophobicContact CG2-CD1 4.15Å; T93-I98 HydrophobicContact CG2-CG1 3.76Å; S94-I98 WeakPolarHBondContact O-CG1 3.11Å; S94-I98 PolarHBondContact O-N 3.25Å; E95-I98 PolarHBondContact O-N 3.43Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 3.46Å; I98-E100 PolarHBondContact O-N 3.26Å; I98-Y101 PolarHBondContact O-N 2.81Å; I98-F102 HydrophobicContact CB-CD2 4.34Å; I98-F102 HydrophobicContact CG2-CD2 3.54Å; I98-F102 HydrophobicContact CG2-CE2 3.98Å; I98-F102 VanDerWaalsContact O-CB 3.24Å; I98-F102 WeakPolarHBondContact O-CB 3.44Å; I98-F102 VanDerWaalsContact O-CD2 3.24Å; I98-F102 WeakPolarHBondContact O-CD2 3.39Å; I98-F102 PolarHBondContact O-N 2.86Å; I98-I111 HydrophobicContact CG2-CD1 4.46Å; I98-I111 HydrophobicContact CG2-CG2 4.46Å; I98-L113 HydrophobicContact CD1-CD2 3.74Å; I98-I128 HydrophobicContact CG2-CD1 3.8Å
99K88Confident84.8Confident127 Ų12768.9 Ų68.955%0.55236%0.364SS*.Hα-helixtrans-63.4-39.5-178.8-170.3174.9-177.9176.20112.6E95 E96 G103 I108 I111E95-K99 WeakPolarHBondContact O-CB 3.42Å; E95-K99 PolarHBondContact O-N 3.41Å; E96-K99 PolarHBondContact O-N 2.83Å; K99-G103 WeakPolarHBondContact O-CA 3.25Å; K99-G103 PolarHBondContact O-N 2.89Å; K99-I108 HydrophobicContact CG-CD1 4.38Å; K99-I111 HydrophobicContact CB-CD1 3.91Å; K99-I111 HydrophobicContact CG-CD1 4.18Å
100E88.6Confident84.8Confident156 Ų15672 Ų7273%0.72938%0.381SS*.Hα-helixtrans-65.7-48.7177.4-174.4174.2-166.700111.3E96 I98 A104E96-E100 WeakPolarHBondContact O-CB 3.22Å; E96-E100 PolarHBondContact O-N 3.49Å; I98-E100 PolarHBondContact O-N 3.26Å; E100-A104 PolarHBondContact O-N 3.27Å
101Y88.4Confident85.1Confident76 Ų7671.8 Ų71.830%0.29838%0.378SS..Hα-helixtrans-67.3-50.1179.9-174.3-94.8000112.3Q97 I98 A104 F105 H145 I147Q97-Y101 WeakPolarHBondContact O-CB 3.47Å; Q97-Y101 PolarHBondContact O-N 2.81Å; I98-Y101 PolarHBondContact O-N 2.81Å; Y101-A104 WeakPolarHBondContact O-CB 3.42Å; Y101-A104 PolarHBondContact O-N 3.11Å; Y101-F105 AromaticContact CD1-CE2 4Å; Y101-F105 HydrophobicContact CD1-CE2 4Å; Y101-F105 AromaticContact CE1-CE2 3.62Å; Y101-F105 HydrophobicContact CE1-CE2 3.62Å; Y101-F105 HydrophobicContact CE1-CZ 4.18Å; Y101-F105 VanDerWaalsContact O-CD2 3.25Å; Y101-F105 WeakPolarHBondContact O-CD2 3.43Å; Y101-F105 WeakPolarHBondContact O-CE2 3.2Å; Y101-H145 HydrophobicContact CE1-CB 3.94Å; Y101-H145 AromaticContact CE1-ND1 3.65Å; Y101-H145 AromaticContact CZ-ND1 3.74Å; Y101-H145 PolarHBondContact OH-ND1 2.68Å; Y101-I147 HydrophobicContact CD1-CD1 3.49Å; Y101-I147 VanDerWaalsContact CD1-CD1 3.49Å; Y101-I147 HydrophobicContact CD1-CG1 3.66Å; Y101-I147 HydrophobicContact CD2-CG1 4.34Å; Y101-I147 HydrophobicContact CE1-CD1 4.01Å; Y101-I147 HydrophobicContact CE1-CG1 3.96Å; Y101-I147 HydrophobicContact CG-CD1 4.02Å; Y101-I147 HydrophobicContact CG-CG1 3.86Å
102F87.4Confident85.5Confident0 Ų071.6 Ų71.60%037%0.37CS..Hα-helixtrans-77.4-24.9-176.6-75.4-69000113.2V86 I98 A104 F105 I108 I128 Y130 L139 I147 I154V86-F102 HydrophobicContact CB-CZ 4.23Å; V86-F102 HydrophobicContact CG1-CE2 4.01Å; V86-F102 HydrophobicContact CG1-CZ 3.63Å; V86-F102 HydrophobicContact CG2-CE1 4.04Å; V86-F102 HydrophobicContact CG2-CE2 4.05Å; V86-F102 HydrophobicContact CG2-CZ 3.56Å; I98-F102 HydrophobicContact CB-CD2 4.34Å; I98-F102 HydrophobicContact CG2-CD2 3.54Å; I98-F102 HydrophobicContact CG2-CE2 3.98Å; I98-F102 VanDerWaalsContact O-CB 3.24Å; I98-F102 WeakPolarHBondContact O-CB 3.44Å; I98-F102 VanDerWaalsContact O-CD2 3.24Å; I98-F102 WeakPolarHBondContact O-CD2 3.39Å; I98-F102 PolarHBondContact O-N 2.86Å; F102-A104 VanDerWaalsContact C-N 3.26Å; F102-A104 PolarHBondContact O-N 2.87Å; F102-F105 PolarHBondContact O-N 2.75Å; F102-I108 HydrophobicContact CB-CD1 3.83Å; F102-I128 HydrophobicContact CB-CD1 3.68Å; F102-I128 HydrophobicContact CD1-CD1 3.83Å; F102-I128 HydrophobicContact CD2-CD1 3.2Å; F102-I128 HydrophobicContact CE1-CD1 4.25Å; F102-I128 HydrophobicContact CE2-CD1 3.65Å; F102-I128 HydrophobicContact CG-CD1 3.28Å; F102-I128 HydrophobicContact CZ-CD1 4.17Å; F102-Y130 WeakPolarHBondContact CB-OH 3.24Å; F102-Y130 PolarHBondContact O-OH 2.71Å; F102-L139 HydrophobicContact CD1-CD1 3.9Å; F102-L139 HydrophobicContact CD1-CD2 4Å; F102-L139 HydrophobicContact CE1-CD1 4.14Å; F102-L139 HydrophobicContact CE1-CD2 3.93Å; F102-I147 HydrophobicContact CD2-CD1 3.87Å; F102-I147 HydrophobicContact CE1-CD1 4.45Å; F102-I147 HydrophobicContact CE2-CD1 3.07Å; F102-I147 HydrophobicContact CZ-CD1 3.42Å; F102-I147 VanDerWaalsContact CZ-CD1 3.42Å; F102-I154 HydrophobicContact CE1-CD1 3.7Å; F102-I154 HydrophobicContact CZ-CD1 4.24Å
103G85.8Confident85.9Confident35 Ų3567.3 Ų67.336%0.36135%0.347SS..Hα-helixtrans-68.8-25.5173.700000112.6K99 F105 G106K99-G103 WeakPolarHBondContact O-CA 3.25Å; K99-G103 PolarHBondContact O-N 2.89Å; G103-F105 PolarHBondContact O-N 2.88Å; G103-G106 WeakPolarHBondContact CA-O 3.4Å; G103-G106 PolarHBondContact O-N 3.36Å; G103-G106 VanDerWaalsContact O-O 3.14Å
104A87.6Confident85.8Confident88 Ų8869 Ų6973%0.72736%0.358SS*.THydrogen-bonded Turntrans-64.8-23.1173.100000113E100 Y101 F102E100-A104 PolarHBondContact O-N 3.27Å; Y101-A104 WeakPolarHBondContact O-CB 3.42Å; Y101-A104 PolarHBondContact O-N 3.11Å; F102-A104 VanDerWaalsContact C-N 3.26Å; F102-A104 PolarHBondContact O-N 2.87Å
105F84.9Confident85.6Confident57 Ų5772.4 Ų72.425%0.2537%0.372CS..THydrogen-bonded Turntrans-86.1-23.9177.7-65.1-90.3000113Y101 F102 G103 P135 K138 L139 H145Y101-F105 AromaticContact CD1-CE2 4Å; Y101-F105 HydrophobicContact CD1-CE2 4Å; Y101-F105 AromaticContact CE1-CE2 3.62Å; Y101-F105 HydrophobicContact CE1-CE2 3.62Å; Y101-F105 HydrophobicContact CE1-CZ 4.18Å; Y101-F105 VanDerWaalsContact O-CD2 3.25Å; Y101-F105 WeakPolarHBondContact O-CD2 3.43Å; Y101-F105 WeakPolarHBondContact O-CE2 3.2Å; F102-F105 PolarHBondContact O-N 2.75Å; G103-F105 PolarHBondContact O-N 2.88Å; F105-P135 HydrophobicContact CB-CB 4.22Å; F105-P135 WeakPolarHBondContact O-CB 3.31Å; F105-P135 WeakPolarHBondContact O-CG 3.5Å; F105-K138 HydrophobicContact CD1-CB 4.48Å; F105-L139 HydrophobicContact CB-CD2 4.48Å; F105-L139 HydrophobicContact CB-CG 4.48Å; F105-L139 HydrophobicContact CD1-CD2 3.81Å; F105-L139 HydrophobicContact CD1-CG 4.29Å; F105-L139 HydrophobicContact CD2-CD2 3.78Å; F105-L139 HydrophobicContact CE1-CD2 3.9Å; F105-L139 HydrophobicContact CE2-CD2 3.87Å; F105-L139 HydrophobicContact CG-CD2 3.75Å; F105-L139 HydrophobicContact CG-CG 4.21Å; F105-L139 HydrophobicContact CZ-CD2 3.93Å; F105-H145 AromaticContact CZ-CE1 3.9Å
106G85.9Confident85.2Confident22 Ų2270.6 Ų70.623%0.22737%0.366CS..SBendtrans165.6178.2176.500000113.5G103 I108G103-G106 WeakPolarHBondContact CA-O 3.4Å; G103-G106 PolarHBondContact O-N 3.36Å; G103-G106 VanDerWaalsContact O-O 3.14Å; G106-I108 PolarHBondContact O-N 2.95Å
107E88.4Confident84.4Confident139 Ų13970.7 Ų70.765%0.6538%0.376SS*.  trans-72.5119.9-176.9-174177.2-175.800111.7Y130 T131E107-Y130 WeakPolarHBondContact O-CD1 3.34Å; E107-T131 HydrophobicContact CB-CG2 4.36Å; E107-T131 HydrophobicContact CG-CG2 4.02Å; E107-T131 PolarHBondContact O-N 3.18Å; E107-T131 VanDerWaalsContact O-N 3.11Å; E107-T131 PolarHBondContact O-OG1 2.96Å
108I88.9Confident83.7Confident31 Ų3175.8 Ų75.816%0.15940%0.397CS..EExtended strand (participates in β ladder)trans-88122.4179.9-60171.3000109.1K99 F102 G106 I111 I128 Y130K99-I108 HydrophobicContact CG-CD1 4.38Å; F102-I108 HydrophobicContact CB-CD1 3.83Å; G106-I108 PolarHBondContact O-N 2.95Å; I108-I111 HydrophobicContact CD1-CD1 4.14Å; I108-I111 HydrophobicContact CG2-CD1 4.11Å; I108-I111 HydrophobicContact CG2-CG1 3.56Å; I108-I128 HydrophobicContact CB-CG2 4.47Å; I108-I128 HydrophobicContact CD1-CG2 4.15Å; I108-I128 HydrophobicContact CG1-CG2 3.97Å; I108-I128 HydrophobicContact CG2-CG2 3.76Å; I108-Y130 HydrophobicContact CG1-CD1 4.14Å; I108-Y130 HydrophobicContact CG1-CE1 3.68Å
109E86Confident82.9Confident130 Ų13079.5 Ų79.561%0.60742%0.419SS*.EExtended strand (participates in β ladder)trans-78.8-44.7173.8-174.3-176.8-178.400111.3T129 T131E109-T129 HydrophobicContact CB-CG2 4.4Å; E109-T129 WeakPolarHBondContact CB-O 3.11Å; E109-T129 PolarHBondContact N-O 2.82Å; E109-T131 HydrophobicContact CB-CG2 4.12Å
110N84.4Confident81.9Confident79 Ų7979.7 Ų79.742%0.42243%0.427SS..EExtended strand (participates in β ladder)trans-153.6145.5-176.9-170.222.9000112.7T129N110-T129 PolarHBondContact N-O 3.15Å; N110-T129 VanDerWaalsContact N-O 3.15Å; N110-T129 PolarHBondContact O-N 2.82Å
111I85.4Confident80.9Confident20 Ų2078.2 Ų78.210%0.10342%0.42CS..EExtended strand (participates in β ladder)trans-121.8118.9173.5-55.1178.1000108.5E95 I98 K99 I108 L113 F127E95-I111 HydrophobicContact CG-CD1 4.49Å; I98-I111 HydrophobicContact CG2-CD1 4.46Å; I98-I111 HydrophobicContact CG2-CG2 4.46Å; K99-I111 HydrophobicContact CB-CD1 3.91Å; K99-I111 HydrophobicContact CG-CD1 4.18Å; I108-I111 HydrophobicContact CD1-CD1 4.14Å; I108-I111 HydrophobicContact CG2-CD1 4.11Å; I108-I111 HydrophobicContact CG2-CG1 3.56Å; I111-L113 HydrophobicContact CG2-CD1 3.8Å; I111-L113 HydrophobicContact CG2-CG 4.07Å; I111-F127 CarbonylContact C-O 3.55Å; I111-F127 WeakPolarHBondContact CA-O 3.24Å
112E84.8Confident80Confident74 Ų7478.8 Ų78.835%0.34642%0.421SS..EExtended strand (participates in β ladder)trans-104.1120.7173.1-68.1170-145.500109.5K83 P114 C126 F127K83-E112 IonicContact NZ-OE1 2.78Å; K83-E112 PolarHBondContact NZ-OE1 2.87Å; K83-E112 IonicContact NZ-OE2 2.71Å; K83-E112 PolarHBondContact NZ-OE2 3.14Å; E112-P114 VanDerWaalsContact O-CD 3.31Å; E112-P114 WeakPolarHBondContact O-CD 3.44Å; E112-C126 CarbonylContact O-C 3.6Å; E112-C126 VanDerWaalsContact O-CA 3.29Å; E112-C126 WeakPolarHBondContact O-CA 3.47Å; E112-C126 WeakPolarHBondContact O-CB 3.47Å; E112-F127 HydrophobicContact CB-CB 4.24Å; E112-F127 HydrophobicContact CB-CD2 4.49Å; E112-F127 PolarHBondContact N-O 3.43Å; E112-F127 PolarHBondContact O-N 3.06Å
113L84.8Confident79.2Confident38 Ų3885.5 Ų85.520%0.19945%0.447CS..  trans-115.685.4176.7-74.7141.5000109.9E95 I98 I111 M115 C126E95-L113 HydrophobicContact CB-CD1 3.8Å; E95-L113 HydrophobicContact CG-CD1 3.69Å; I98-L113 HydrophobicContact CD1-CD2 3.74Å; I111-L113 HydrophobicContact CG2-CD1 3.8Å; I111-L113 HydrophobicContact CG2-CG 4.07Å; L113-M115 PolarHBondContact O-N 3.01Å; L113-M115 VanDerWaalsContact O-N 3.13Å; L113-C126 HydrophobicContact CD2-CB 3.58Å; L113-C126 HydrophobicContact CG-CB 3.94Å
114P78.7Confident78.8Confident38 Ų3884.7 Ų84.725%0.24744%0.439CS..PPolyproline II helixtrans-64116.7178.9-25.338000111.7E112 R123 F125 F127E112-P114 VanDerWaalsContact O-CD 3.31Å; E112-P114 WeakPolarHBondContact O-CD 3.44Å; P114-R123 WeakPolarHBondContact O-CB 3.35Å; P114-R123 WeakPolarHBondContact O-CG 3.49Å; P114-R123 PolarHBondContact O-N 2.78Å; P114-F125 HydrophobicContact CB-CE2 4.05Å; P114-F125 HydrophobicContact CB-CZ 4.2Å; P114-F125 HydrophobicContact CG-CD2 4.49Å; P114-F125 HydrophobicContact CG-CE2 3.76Å; P114-F125 HydrophobicContact CG-CZ 4.39Å; P114-F127 HydrophobicContact CG-CD2 4.3Å; P114-F127 HydrophobicContact CG-CE2 4.25Å
115M78.6Confident78.8Confident98 Ų9882.3 Ų82.348%0.48341%0.412SS..BIsolated β-bridgetrans-87.5148.9170.6-60.4177.3-176.100109.9L113 T117L113-M115 PolarHBondContact O-N 3.01Å; L113-M115 VanDerWaalsContact O-N 3.13Å; M115-T117 PolarHBondContact O-N 3.34Å
116D74.3Confident78.9Confident56 Ų5679.6 Ų79.630%0.29940%0.4SS..PPolyproline II helixtrans-71.8120.4171.3-165.2-33.8000108.6K118 N120 E121 R123D116-K118 PolarHBondContact O-N 2.79Å; D116-K118 VanDerWaalsContact O-N 3.11Å; D116-K118 PolarHBondContact OD1-N 2.85Å; D116-N120 WeakPolarHBondContact O-CA 3.35Å; D116-N120 PolarHBondContact O-N 2.82Å; D116-E121 PolarHBondContact N-O 2.88Å; D116-R123 HydrophobicContact CB-CG 4Å
117T70Confident79Confident139 Ų13980.4 Ų80.485%0.85340%0.397SS*.THydrogen-bonded Turntrans-66.7-11.8-178.655.50000113.3M115M115-T117 PolarHBondContact O-N 3.34Å
118K70.1Confident79Confident188 Ų18873.8 Ų73.882%0.81737%0.366SS*.THydrogen-bonded Turntrans-97.8-41.2-177.9-63.9-176.6179.4-176.60113.5D116D116-K118 PolarHBondContact O-N 2.79Å; D116-K118 VanDerWaalsContact O-N 3.11Å; D116-K118 PolarHBondContact OD1-N 2.85Å
119T69.9Low78.9Confident78 Ų7873.4 Ų73.448%0.47937%0.366SS..THydrogen-bonded Turntrans-104.3-8.7-178.861.20000112.5E121T119-E121 WeakPolarHBondContact CB-OE2 3.38Å; T119-E121 PolarHBondContact O-N 3.29Å; T119-E121 VanDerWaalsContact O-N 3.14Å; T119-E121 WeakPolarHBondContact OG1-CB 3.32Å; T119-E121 PolarHBondContact OG1-OE2 3.21Å; T119-E121 VanDerWaalsContact OG1-OE2 3.13Å
120N66.5Low79Confident132 Ų13267.2 Ų67.271%0.70634%0.337SS*.  trans57.118.3-172.2-129.5-8.4000113.3D116D116-N120 WeakPolarHBondContact O-CA 3.35Å; D116-N120 PolarHBondContact O-N 2.82Å
121E68.4Low79Confident125 Ų12565.1 Ų65.158%0.58433%0.327SS*.  trans-91.7149.2178.1-66.2172.114700110.1D116 T119 R123D116-E121 PolarHBondContact N-O 2.88Å; T119-E121 WeakPolarHBondContact CB-OE2 3.38Å; T119-E121 PolarHBondContact O-N 3.29Å; T119-E121 VanDerWaalsContact O-N 3.14Å; T119-E121 WeakPolarHBondContact OG1-CB 3.32Å; T119-E121 PolarHBondContact OG1-OE2 3.21Å; T119-E121 VanDerWaalsContact OG1-OE2 3.13Å; E121-R123 PolarHBondContact O-N 3.25Å
122R69.4Low78.8Confident87 Ų8768.9 Ų68.933%0.32835%0.347SS..BIsolated β-bridgetrans-64.9132.1173.8-68.1-179.1177.3144.2-9109P91 T93 G124P91-R122 WeakPolarHBondContact O-CD 3.35Å; P91-R122 PolarHBondContact O-NH1 2.99Å; T93-R122 PolarHBondContact O-NH1 2.93Å; R122-G124 PolarHBondContact O-N 2.85Å
123R70.2Confident78.7Confident141 Ų14168.9 Ų68.953%0.53235%0.347SS..  trans-71.210.6-178.8-62.8-179.265-169-4.4114.1P114 D116 E121 F125P114-R123 WeakPolarHBondContact O-CB 3.35Å; P114-R123 WeakPolarHBondContact O-CG 3.49Å; P114-R123 PolarHBondContact O-N 2.78Å; D116-R123 HydrophobicContact CB-CG 4Å; E121-R123 PolarHBondContact O-N 3.25Å; R123-F125 HydrophobicContact CB-CD1 3.7Å; R123-F125 HydrophobicContact CB-CE1 3.31Å; R123-F125 HydrophobicContact CB-CZ 4.01Å; R123-F125 HydrophobicContact CG-CE1 4.26Å; R123-F125 WeakPolarHBondContact O-CD1 2.99Å; R123-F125 PolarHBondContact O-N 3.4Å
124G78.8Confident78.6Confident19 Ų1973.1 Ų73.120%0.19637%0.366CS..SBendtrans67.420.4-178.600000114G87 G88 L89 R122G87-G124 CarbonylContact C-O 3.53Å; G88-G124 PolarHBondContact N-O 3.3Å; L89-G124 PolarHBondContact N-O 3.35Å; L89-G124 VanDerWaalsContact O-CA 3.31Å; L89-G124 WeakPolarHBondContact O-CA 3.42Å; R122-G124 PolarHBondContact O-N 2.85Å
125F85.6Confident78.9Confident37 Ų3771.5 Ų71.516%0.16236%0.356CS..EExtended strand (participates in β ladder)trans-146.7153.417467.2-95.6000112F85 V86 P114 R123 F127F85-F125 HydrophobicContact CD2-CD2 4.28Å; F85-F125 HydrophobicContact CE2-CB 3.6Å; F85-F125 HydrophobicContact CE2-CD1 4.45Å; F85-F125 AromaticContact CE2-CD2 3.63Å; F85-F125 HydrophobicContact CE2-CD2 3.63Å; F85-F125 HydrophobicContact CE2-CE2 4.42Å; F85-F125 AromaticContact CE2-CG 3.66Å; F85-F125 HydrophobicContact CE2-CG 3.66Å; F85-F125 HydrophobicContact CZ-CB 3.73Å; F85-F125 HydrophobicContact CZ-CG 4.13Å; V86-F125 CarbonylContact O-C 3.57Å; V86-F125 WeakPolarHBondContact O-CA 2.92Å; V86-F125 VanDerWaalsContact O-CB 3.27Å; V86-F125 WeakPolarHBondContact O-CB 3.42Å; P114-F125 HydrophobicContact CB-CE2 4.05Å; P114-F125 HydrophobicContact CB-CZ 4.2Å; P114-F125 HydrophobicContact CG-CD2 4.49Å; P114-F125 HydrophobicContact CG-CE2 3.76Å; P114-F125 HydrophobicContact CG-CZ 4.39Å; R123-F125 HydrophobicContact CB-CD1 3.7Å; R123-F125 HydrophobicContact CB-CE1 3.31Å; R123-F125 HydrophobicContact CB-CZ 4.01Å; R123-F125 HydrophobicContact CG-CE1 4.26Å; R123-F125 WeakPolarHBondContact O-CD1 2.99Å; R123-F125 PolarHBondContact O-N 3.4Å; F125-F127 HydrophobicContact CD2-CE2 4.01Å; F125-F127 HydrophobicContact CD2-CZ 4.45Å; F125-F127 HydrophobicContact CE2-CD2 4.48Å; F125-F127 AromaticContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CE2-CZ 4.24Å
126C87.1Confident79.1Confident0 Ų067 Ų670%033%0.333CS..EExtended strand (participates in β ladder)trans-132.7164.2170.877.50000110.7V86 L89 E112 L113V86-C126 PolarHBondContact N-O 3.2Å; V86-C126 PolarHBondContact O-N 3.32Å; L89-C126 HydrophobicContact CD1-CB 3.86Å; L89-C126 WeakPolarHBondContact CD1-SG 3.38Å; E112-C126 CarbonylContact O-C 3.6Å; E112-C126 VanDerWaalsContact O-CA 3.29Å; E112-C126 WeakPolarHBondContact O-CA 3.47Å; E112-C126 WeakPolarHBondContact O-CB 3.47Å; L113-C126 HydrophobicContact CD2-CB 3.58Å; L113-C126 HydrophobicContact CG-CB 3.94Å
127F88.5Confident79.5Confident39 Ų3969.3 Ų69.317%0.17134%0.341CS..EExtended strand (participates in β ladder)trans-116.5136.7165.7-58-90.4000109.9K83 V84 F85 I111 E112 P114 F125 A157K83-F127 HydrophobicContact CD-CB 4.34Å; K83-F127 HydrophobicContact CG-CB 4.21Å; V84-F127 VanDerWaalsContact O-CA 3.23Å; V84-F127 WeakPolarHBondContact O-CA 3.49Å; F85-F127 HydrophobicContact CB-CD1 4.11Å; F85-F127 HydrophobicContact CB-CE1 4.04Å; F85-F127 HydrophobicContact CD2-CD1 4.11Å; F85-F127 AromaticContact CD2-CE1 3.56Å; F85-F127 HydrophobicContact CD2-CE1 3.56Å; F85-F127 AromaticContact CD2-CZ 3.85Å; F85-F127 HydrophobicContact CD2-CZ 3.85Å; F85-F127 HydrophobicContact CE2-CZ 4.43Å; F85-F127 HydrophobicContact CG-CE1 4.28Å; I111-F127 CarbonylContact C-O 3.55Å; I111-F127 WeakPolarHBondContact CA-O 3.24Å; E112-F127 HydrophobicContact CB-CB 4.24Å; E112-F127 HydrophobicContact CB-CD2 4.49Å; E112-F127 PolarHBondContact N-O 3.43Å; E112-F127 PolarHBondContact O-N 3.06Å; P114-F127 HydrophobicContact CG-CD2 4.3Å; P114-F127 HydrophobicContact CG-CE2 4.25Å; F125-F127 HydrophobicContact CD2-CE2 4.01Å; F125-F127 HydrophobicContact CD2-CZ 4.45Å; F125-F127 HydrophobicContact CE2-CD2 4.48Å; F125-F127 AromaticContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CE2-CE2 3.69Å; F125-F127 HydrophobicContact CE2-CZ 4.24Å; F127-A157 HydrophobicContact CD1-CB 3.94Å; F127-A157 HydrophobicContact CE1-CB 4.21Å
128I88.3Confident80.2Confident0 Ų067.6 Ų67.60%032%0.322CS..EExtended strand (participates in β ladder)trans-120.7124.8179.1-56.9178.7000107.4K83 V84 V86 I98 F102 I108 Y130K83-I128 CarbonylContact C-O 3.57Å; K83-I128 VanDerWaalsContact CA-O 3.3Å; K83-I128 WeakPolarHBondContact CA-O 3.23Å; V84-I128 PolarHBondContact N-O 3.49Å; V84-I128 PolarHBondContact O-N 3.21Å; V86-I128 HydrophobicContact CG2-CD1 4Å; V86-I128 HydrophobicContact CG2-CG1 4.38Å; I98-I128 HydrophobicContact CG2-CD1 3.8Å; F102-I128 HydrophobicContact CB-CD1 3.68Å; F102-I128 HydrophobicContact CD1-CD1 3.83Å; F102-I128 HydrophobicContact CD2-CD1 3.2Å; F102-I128 HydrophobicContact CE1-CD1 4.25Å; F102-I128 HydrophobicContact CE2-CD1 3.65Å; F102-I128 HydrophobicContact CG-CD1 3.28Å; F102-I128 HydrophobicContact CZ-CD1 4.17Å; I108-I128 HydrophobicContact CB-CG2 4.47Å; I108-I128 HydrophobicContact CD1-CG2 4.15Å; I108-I128 HydrophobicContact CG1-CG2 3.97Å; I108-I128 HydrophobicContact CG2-CG2 3.76Å; I128-Y130 HydrophobicContact CB-CE2 4.32Å; I128-Y130 HydrophobicContact CG2-CD2 4.07Å; I128-Y130 HydrophobicContact CG2-CE2 3.62Å
129T86.6Confident80.8Confident23 Ų2358.7 Ų58.714%0.14128%0.283CS..EExtended strand (participates in β ladder)trans-103.4122.8172.7-53.90000108.2K82 E109 N110K82-T129 HydrophobicContact CB-CG2 4.45Å; K82-T129 CarbonylContact O-C 3.6Å; K82-T129 WeakPolarHBondContact O-CA 3.43Å; E109-T129 HydrophobicContact CB-CG2 4.4Å; E109-T129 WeakPolarHBondContact CB-O 3.11Å; E109-T129 PolarHBondContact N-O 2.82Å; N110-T129 PolarHBondContact N-O 3.15Å; N110-T129 VanDerWaalsContact N-O 3.15Å; N110-T129 PolarHBondContact O-N 2.82Å
130Y88.4Confident81.4Confident0 Ų057.5 Ų57.50%027%0.273CS..EExtended strand (participates in β ladder)trans-95.2153.6174.8-73.2-85.2000111.2K82 V84 F102 E107 I108 I128 D132 P135 V136 L139K82-Y130 PolarHBondContact O-N 2.8Å; V84-Y130 HydrophobicContact CG2-CD2 4.3Å; V84-Y130 HydrophobicContact CG2-CE2 4.26Å; F102-Y130 WeakPolarHBondContact CB-OH 3.24Å; F102-Y130 PolarHBondContact O-OH 2.71Å; E107-Y130 WeakPolarHBondContact O-CD1 3.34Å; I108-Y130 HydrophobicContact CG1-CD1 4.14Å; I108-Y130 HydrophobicContact CG1-CE1 3.68Å; I128-Y130 HydrophobicContact CB-CE2 4.32Å; I128-Y130 HydrophobicContact CG2-CD2 4.07Å; I128-Y130 HydrophobicContact CG2-CE2 3.62Å; Y130-D132 VanDerWaalsContact C-N 3.33Å; Y130-D132 VanDerWaalsContact CB-O 3.24Å; Y130-D132 WeakPolarHBondContact CB-O 3.3Å; Y130-P135 HydrophobicContact CD1-CB 3.55Å; Y130-P135 HydrophobicContact CD1-CG 3.76Å; Y130-P135 HydrophobicContact CD2-CB 4.21Å; Y130-P135 HydrophobicContact CE1-CB 3.61Å; Y130-P135 HydrophobicContact CE1-CG 4.2Å; Y130-P135 HydrophobicContact CE2-CB 4.25Å; Y130-P135 HydrophobicContact CG-CB 3.86Å; Y130-P135 HydrophobicContact CG-CG 4.17Å; Y130-V136 HydrophobicContact CD2-CG2 3.86Å; Y130-V136 HydrophobicContact CG-CG2 4.49Å; Y130-L139 HydrophobicContact CE2-CD1 3.73Å; Y130-L139 WeakPolarHBondContact OH-CD1 3.41Å
131T84.3Confident82.1Confident36 Ų3658.8 Ų58.822%0.22128%0.275CS..SBendtrans-64.4-42.3169.953.40000110.7K82 E107 E109K82-T131 PolarHBondContact NZ-O 3.39Å; E107-T131 HydrophobicContact CB-CG2 4.36Å; E107-T131 HydrophobicContact CG-CG2 4.02Å; E107-T131 PolarHBondContact O-N 3.18Å; E107-T131 VanDerWaalsContact O-N 3.11Å; E107-T131 PolarHBondContact O-OG1 2.96Å; E109-T131 HydrophobicContact CB-CG2 4.12Å
132D82.4Confident82.7Confident98 Ų9855.8 Ų55.852%0.52427%0.268SS..SBendtrans-109.6161.3-176.8-66.5-45.3000113.8Y130 P135Y130-D132 VanDerWaalsContact C-N 3.33Å; Y130-D132 VanDerWaalsContact CB-O 3.24Å; Y130-D132 WeakPolarHBondContact CB-O 3.3Å; D132-P135 WeakPolarHBondContact O-CD 3.27Å
133E82.1Confident83.1Confident75 Ų7559 Ų5935%0.3528%0.28SS..SBendtrans-88.2-18.7178.561.5173.2-124.900114.2P80 P135 V136 K137P80-E133 HydrophobicContact CB-CB 4.25Å; P80-E133 HydrophobicContact CG-CB 3.95Å; P80-E133 HydrophobicContact CG-CG 4.44Å; P80-E133 WeakPolarHBondContact CG-OE2 3.48Å; E133-P135 VanDerWaalsContact C-CD 3.5Å; E133-V136 WeakPolarHBondContact O-CB 3.46Å; E133-V136 PolarHBondContact O-N 2.83Å; E133-K137 PolarHBondContact O-N 2.9Å; E133-K137 WeakPolarHBondContact OE1-CE 3.5Å; E133-K137 IonicContact OE1-NZ 2.65Å; E133-K137 PolarHBondContact OE1-NZ 2.81Å
134E83.2Confident83.8Confident126 Ų12658.6 Ų58.659%0.58928%0.28SS*.Hα-helixtrans-61.2-43.3-179.5-58.7-162.5160.700113.8V136 K137 K138E134-V136 PolarHBondContact O-N 2.87Å; E134-K137 PolarHBondContact O-N 3.45Å; E134-K138 PolarHBondContact O-N 3.01Å; E134-K138 VanDerWaalsContact O-N 3.14Å
135P84.7Confident84.1Confident5 Ų558.4 Ų58.43%0.03227%0.273CS..Hα-helixtrans-60.1-38.8178.1-23.135.8000111.2F105 Y130 D132 E133 K137 K138 L139F105-P135 HydrophobicContact CB-CB 4.22Å; F105-P135 WeakPolarHBondContact O-CB 3.31Å; F105-P135 WeakPolarHBondContact O-CG 3.5Å; Y130-P135 HydrophobicContact CD1-CB 3.55Å; Y130-P135 HydrophobicContact CD1-CG 3.76Å; Y130-P135 HydrophobicContact CD2-CB 4.21Å; Y130-P135 HydrophobicContact CE1-CB 3.61Å; Y130-P135 HydrophobicContact CE1-CG 4.2Å; Y130-P135 HydrophobicContact CE2-CB 4.25Å; Y130-P135 HydrophobicContact CG-CB 3.86Å; Y130-P135 HydrophobicContact CG-CG 4.17Å; D132-P135 WeakPolarHBondContact O-CD 3.27Å; E133-P135 VanDerWaalsContact C-CD 3.5Å; P135-K137 PolarHBondContact O-N 3.37Å; P135-K138 PolarHBondContact O-N 3.37Å; P135-L139 WeakPolarHBondContact O-CB 3.13Å; P135-L139 VanDerWaalsContact O-CG 3.24Å; P135-L139 WeakPolarHBondContact O-CG 3.09Å; P135-L139 PolarHBondContact O-N 3.23Å
136V83.3Confident83.9Confident2 Ų263.1 Ų63.11%0.01230%0.296CS..Hα-helixtrans-63.5-43.5178.6179.90000111.6P81 V84 Y130 E133 E134 L139 L140P81-V136 WeakPolarHBondContact O-CG1 3.41Å; V84-V136 HydrophobicContact CG2-CB 4.02Å; V84-V136 HydrophobicContact CG2-CG1 3.68Å; V84-V136 HydrophobicContact CG2-CG2 3.56Å; Y130-V136 HydrophobicContact CD2-CG2 3.86Å; Y130-V136 HydrophobicContact CG-CG2 4.49Å; E133-V136 WeakPolarHBondContact O-CB 3.46Å; E133-V136 PolarHBondContact O-N 2.83Å; E134-V136 PolarHBondContact O-N 2.87Å; V136-L139 PolarHBondContact O-N 3.44Å; V136-L140 HydrophobicContact CG1-CD1 3.81Å; V136-L140 HydrophobicContact CG1-CG 4.34Å; V136-L140 WeakPolarHBondContact O-CB 3.29Å; V136-L140 VanDerWaalsContact O-CG 3.22Å; V136-L140 WeakPolarHBondContact O-CG 3.36Å; V136-L140 PolarHBondContact O-N 2.84Å
137K81.9Confident83.6Confident105 Ų10563.4 Ų63.446%0.45730%0.298SS..Hα-helixtrans-62.1-47.2178-69.7177.5-170.7166.10111.1E133 E134 P135 L139 L140 E141E133-K137 PolarHBondContact O-N 2.9Å; E133-K137 WeakPolarHBondContact OE1-CE 3.5Å; E133-K137 IonicContact OE1-NZ 2.65Å; E133-K137 PolarHBondContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact O-N 3.45Å; P135-K137 PolarHBondContact O-N 3.37Å; K137-L139 VanDerWaalsContact C-N 3.34Å; K137-L139 PolarHBondContact O-N 3.47Å; K137-L140 PolarHBondContact O-N 2.93Å; K137-L140 VanDerWaalsContact O-N 3.08Å; K137-E141 PolarHBondContact O-N 3.27Å; K137-E141 VanDerWaalsContact O-N 3.15Å
138K83.6Confident82.8Confident104 Ų10464.2 Ų64.245%0.45232%0.316SS..Hα-helixtrans-60-42.1177.6-70.3176.1-178168.10112.2F105 E134 P135 L140 E141F105-K138 HydrophobicContact CD1-CB 4.48Å; E134-K138 PolarHBondContact O-N 3.01Å; E134-K138 VanDerWaalsContact O-N 3.14Å; P135-K138 PolarHBondContact O-N 3.37Å; K138-L140 VanDerWaalsContact C-N 3.29Å; K138-L140 PolarHBondContact O-N 3.45Å; K138-E141 WeakPolarHBondContact O-CB 3.47Å; K138-E141 PolarHBondContact O-N 3.31Å
139L84Confident82Confident0 Ų068.9 Ų68.90%035%0.349CS..Hα-helixtrans-67.9-27.5176.2-71.5174.4000113.1F102 F105 Y130 P135 V136 K137 S142 H145 I154F102-L139 HydrophobicContact CD1-CD1 3.9Å; F102-L139 HydrophobicContact CD1-CD2 4Å; F102-L139 HydrophobicContact CE1-CD1 4.14Å; F102-L139 HydrophobicContact CE1-CD2 3.93Å; F105-L139 HydrophobicContact CB-CD2 4.48Å; F105-L139 HydrophobicContact CB-CG 4.48Å; F105-L139 HydrophobicContact CD1-CD2 3.81Å; F105-L139 HydrophobicContact CD1-CG 4.29Å; F105-L139 HydrophobicContact CD2-CD2 3.78Å; F105-L139 HydrophobicContact CE1-CD2 3.9Å; F105-L139 HydrophobicContact CE2-CD2 3.87Å; F105-L139 HydrophobicContact CG-CD2 3.75Å; F105-L139 HydrophobicContact CG-CG 4.21Å; F105-L139 HydrophobicContact CZ-CD2 3.93Å; Y130-L139 HydrophobicContact CE2-CD1 3.73Å; Y130-L139 WeakPolarHBondContact OH-CD1 3.41Å; P135-L139 WeakPolarHBondContact O-CB 3.13Å; P135-L139 VanDerWaalsContact O-CG 3.24Å; P135-L139 WeakPolarHBondContact O-CG 3.09Å; P135-L139 PolarHBondContact O-N 3.23Å; V136-L139 PolarHBondContact O-N 3.44Å; K137-L139 VanDerWaalsContact C-N 3.34Å; K137-L139 PolarHBondContact O-N 3.47Å; L139-S142 CarbonylContact O-C 3.52Å; L139-H145 PolarHBondContact O-NE2 2.78Å; L139-I154 HydrophobicContact CB-CD1 3.85Å; L139-I154 HydrophobicContact CB-CG2 4.21Å; L139-I154 HydrophobicContact CD1-CD1 4.37Å; L139-I154 HydrophobicContact CD2-CD1 3.65Å; L139-I154 HydrophobicContact CG-CD1 4.16Å
140L81.9Confident81.4Confident54 Ų5468.4 Ų68.428%0.28335%0.348SS..Hα-helixtrans-81.3-19.4177.5-71.4170.8000113.4V136 K137 K138 S142 I154 V156V136-L140 HydrophobicContact CG1-CD1 3.81Å; V136-L140 HydrophobicContact CG1-CG 4.34Å; V136-L140 WeakPolarHBondContact O-CB 3.29Å; V136-L140 VanDerWaalsContact O-CG 3.22Å; V136-L140 WeakPolarHBondContact O-CG 3.36Å; V136-L140 PolarHBondContact O-N 2.84Å; K137-L140 PolarHBondContact O-N 2.93Å; K137-L140 VanDerWaalsContact O-N 3.08Å; K138-L140 VanDerWaalsContact C-N 3.29Å; K138-L140 PolarHBondContact O-N 3.45Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-I154 HydrophobicContact CD2-CG2 4.29Å; L140-V156 HydrophobicContact CD1-CG2 3.75Å; L140-V156 HydrophobicContact CD2-CG2 4.08Å
141E81.6Confident81.2Confident159 Ų15974.6 Ų74.674%0.74338%0.376SS*.Hα-helixtrans-63-38.4171-69.6175.3-177.300110.9K137 K138K137-E141 PolarHBondContact O-N 3.27Å; K137-E141 VanDerWaalsContact O-N 3.15Å; K138-E141 WeakPolarHBondContact O-CB 3.47Å; K138-E141 PolarHBondContact O-N 3.31Å
142S81.3Confident81.3Confident62 Ų6272.9 Ų72.943%0.43437%0.365SS..SBendtrans-10698.9177.1-68.50000110.8L139 L140 Y144 H145L139-S142 CarbonylContact O-C 3.52Å; L140-S142 VanDerWaalsContact C-N 3.27Å; S142-Y144 PolarHBondContact O-N 3.4Å; S142-H145 WeakPolarHBondContact CB-NE2 3.45Å; S142-H145 PolarHBondContact O-CD2 2.8Å; S142-H145 PolarHBondContact O-NE2 3.36Å
143R77.6Confident81.5Confident153 Ų15370.7 Ų70.758%0.57735%0.352SS*.SBendtrans-60-24.2-179.8-72.8-142.7-158.8-87.72.2114.7E153 I154R143-E153 WeakPolarHBondContact O-CA 3.12Å; R143-I154 PolarHBondContact O-N 3.21Å
144Y84.7Confident81.8Confident134 Ų13467.1 Ų67.153%0.52534%0.335SS..EExtended strand (participates in β ladder)trans-125.1130.9-176.7-61.2-73.6000110.9S142 K151 C152 E153S142-Y144 PolarHBondContact O-N 3.4Å; Y144-K151 HydrophobicContact CD1-CD 4.37Å; Y144-K151 HydrophobicContact CD1-CG 4.43Å; Y144-C152 WeakPolarHBondContact CA-O 3.31Å; Y144-E153 HydrophobicContact CD1-CB 4.2Å; Y144-E153 HydrophobicContact CD1-CG 4.33Å; Y144-E153 HydrophobicContact CE1-CB 4.13Å; Y144-E153 HydrophobicContact CE1-CG 4.01Å
145H84.4Confident81.8Confident14 Ų1465.4 Ų65.47%0.06533%0.325CS..EExtended strand (participates in β ladder)trans-125157.7175.8-70.4-102.5000109.2Y101 F105 L139 S142 K151 C152 I154Y101-H145 HydrophobicContact CE1-CB 3.94Å; Y101-H145 AromaticContact CE1-ND1 3.65Å; Y101-H145 AromaticContact CZ-ND1 3.74Å; Y101-H145 PolarHBondContact OH-ND1 2.68Å; F105-H145 AromaticContact CZ-CE1 3.9Å; L139-H145 PolarHBondContact O-NE2 2.78Å; S142-H145 WeakPolarHBondContact CB-NE2 3.45Å; S142-H145 PolarHBondContact O-CD2 2.8Å; S142-H145 PolarHBondContact O-NE2 3.36Å; H145-K151 CarbonylContact O-C 3.46Å; H145-C152 VanDerWaalsContact CB-SG 3.59Å; H145-C152 PolarHBondContact N-O 3.47Å; H145-C152 PolarHBondContact O-N 3.46Å; H145-C152 PolarHBondContact O-SG 3.07Å; H145-C152 VanDerWaalsContact O-SG 3.34Å; H145-I154 HydrophobicContact CB-CD1 4.44Å; H145-I154 WeakPolarHBondContact CD2-CD1 3.35Å; H145-I154 WeakPolarHBondContact NE2-CD1 3.31Å
146Q82Confident81.6Confident137 Ų13768.5 Ų68.564%0.6434%0.344SS*.EExtended strand (participates in β ladder)trans-119.4121.8180-170.7158.64.800109
147I80.2Confident81.1Confident6 Ų669 Ų693%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-132.6116.2-175.8-55.9179.5000107.9L89 T93 Y101 F102 S149 G150L89-I147 HydrophobicContact CD2-CD1 4.24Å; T93-I147 HydrophobicContact CG2-CG2 3.77Å; Y101-I147 HydrophobicContact CD1-CD1 3.49Å; Y101-I147 VanDerWaalsContact CD1-CD1 3.49Å; Y101-I147 HydrophobicContact CD1-CG1 3.66Å; Y101-I147 HydrophobicContact CD2-CG1 4.34Å; Y101-I147 HydrophobicContact CE1-CD1 4.01Å; Y101-I147 HydrophobicContact CE1-CG1 3.96Å; Y101-I147 HydrophobicContact CG-CD1 4.02Å; Y101-I147 HydrophobicContact CG-CG1 3.86Å; F102-I147 HydrophobicContact CD2-CD1 3.87Å; F102-I147 HydrophobicContact CE1-CD1 4.45Å; F102-I147 HydrophobicContact CE2-CD1 3.07Å; F102-I147 HydrophobicContact CZ-CD1 3.42Å; F102-I147 VanDerWaalsContact CZ-CD1 3.42Å; I147-S149 PolarHBondContact O-N 3.32Å; I147-G150 PolarHBondContact N-O 3.08Å; I147-G150 PolarHBondContact O-N 3.03Å
148G72.7Confident80.5Confident55 Ų5568.7 Ų68.757%0.56735%0.349SS*.THydrogen-bonded Turntrans60-127.7-170.700000111.5
149S70.4Confident79.5Confident99 Ų9967.6 Ų67.669%0.69235%0.352SS*.THydrogen-bonded Turntrans-88.2-7177560000114.2I147I147-S149 PolarHBondContact O-N 3.32Å
150G74.4Confident78.2Confident12 Ų1276.4 Ų76.412%0.12439%0.391CS..EExtended strand (participates in β ladder)trans-104.2147-173.200000113.8I147I147-G150 PolarHBondContact N-O 3.08Å; I147-G150 PolarHBondContact O-N 3.03Å
151K83.9Confident77Confident131 Ų13181.2 Ų81.257%0.5741%0.411SS*.EExtended strand (participates in β ladder)trans-95.5115.9168.9-177.6179.6-179-178.70109G88 Y144 H145G88-K151 VanDerWaalsContact O-O 3.08Å; Y144-K151 HydrophobicContact CD1-CD 4.37Å; Y144-K151 HydrophobicContact CD1-CG 4.43Å; H145-K151 CarbonylContact O-C 3.46Å
152C87.2Confident75.8Confident0 Ų076.6 Ų76.60%039%0.394CS..EExtended strand (participates in β ladder)trans-100.3147.8177.162.40000112.5V86 G87 L89 Y144 H145V86-C152 HydrophobicContact CG1-CB 3.7Å; G87-C152 CarbonylContact O-C 3.57Å; G87-C152 WeakPolarHBondContact O-CA 3.2Å; G87-C152 VanDerWaalsContact O-CB 3.31Å; G87-C152 WeakPolarHBondContact O-CB 3.49Å; L89-C152 HydrophobicContact CD2-CB 3.87Å; L89-C152 HydrophobicContact CG-CB 4.31Å; Y144-C152 WeakPolarHBondContact CA-O 3.31Å; H145-C152 VanDerWaalsContact CB-SG 3.59Å; H145-C152 PolarHBondContact N-O 3.47Å; H145-C152 PolarHBondContact O-N 3.46Å; H145-C152 PolarHBondContact O-SG 3.07Å; H145-C152 VanDerWaalsContact O-SG 3.34Å
153E86.9Confident74.7Confident52 Ų5280 Ų8024%0.24340%0.398CS..EExtended strand (participates in β ladder)trans-105.9133.8175.1-173.5-171.9-166.500109.9V86 G87 R143 Y144 K155V86-E153 WeakPolarHBondContact CA-O 3.46Å; G87-E153 PolarHBondContact N-O 3.44Å; G87-E153 PolarHBondContact O-N 3.01Å; R143-E153 WeakPolarHBondContact O-CA 3.12Å; Y144-E153 HydrophobicContact CD1-CB 4.2Å; Y144-E153 HydrophobicContact CD1-CG 4.33Å; Y144-E153 HydrophobicContact CE1-CB 4.13Å; Y144-E153 HydrophobicContact CE1-CG 4.01Å; E153-K155 VanDerWaalsContact CD-CE 3.41Å; E153-K155 WeakPolarHBondContact OE1-CE 3.5Å; E153-K155 IonicContact OE1-NZ 2.68Å; E153-K155 PolarHBondContact OE1-NZ 3.23Å; E153-K155 WeakPolarHBondContact OE2-CE 3.47Å; E153-K155 IonicContact OE2-NZ 2.87Å; E153-K155 PolarHBondContact OE2-NZ 3.34Å
154I87.4Confident73.8Confident0 Ų081.7 Ų81.70%041%0.405CS..EExtended strand (participates in β ladder)trans-104.4128.8179.4-59.4-170.2000110.9V84 F85 F102 L139 L140 R143 H145V84-I154 HydrophobicContact CG1-CG2 3.27Å; F85-I154 WeakPolarHBondContact O-CA 3.44Å; F102-I154 HydrophobicContact CE1-CD1 3.7Å; F102-I154 HydrophobicContact CZ-CD1 4.24Å; L139-I154 HydrophobicContact CB-CD1 3.85Å; L139-I154 HydrophobicContact CB-CG2 4.21Å; L139-I154 HydrophobicContact CD1-CD1 4.37Å; L139-I154 HydrophobicContact CD2-CD1 3.65Å; L139-I154 HydrophobicContact CG-CD1 4.16Å; L140-I154 HydrophobicContact CD2-CG2 4.29Å; R143-I154 PolarHBondContact O-N 3.21Å; H145-I154 HydrophobicContact CB-CD1 4.44Å; H145-I154 WeakPolarHBondContact CD2-CD1 3.35Å; H145-I154 WeakPolarHBondContact NE2-CD1 3.31Å
155K83.9Confident72.4Confident89 Ų8982.1 Ų82.139%0.38741%0.412SS..EExtended strand (participates in β ladder)trans-133.5156.1175-69.7172.3166.5142.70110.6F85 E153 A157F85-K155 HydrophobicContact CB-CB 4.43Å; F85-K155 HydrophobicContact CD1-CB 4.05Å; F85-K155 HydrophobicContact CD1-CD 4.47Å; F85-K155 PolarHBondContact N-O 3.31Å; F85-K155 PolarHBondContact O-N 3.15Å; E153-K155 VanDerWaalsContact CD-CE 3.41Å; E153-K155 WeakPolarHBondContact OE1-CE 3.5Å; E153-K155 IonicContact OE1-NZ 2.68Å; E153-K155 PolarHBondContact OE1-NZ 3.23Å; E153-K155 WeakPolarHBondContact OE2-CE 3.47Å; E153-K155 IonicContact OE2-NZ 2.87Å; E153-K155 PolarHBondContact OE2-NZ 3.34Å; K155-A157 PolarHBondContact O-N 3.01Å
156V80.4Confident71.1Confident70 Ų7086.4 Ų86.442%0.42443%0.432SS..EExtended strand (participates in β ladder)trans-56.7125.9165.1158.30000109.1P81 L140 Q158P81-V156 HydrophobicContact CB-CG1 4.15Å; P81-V156 HydrophobicContact CG-CB 4.05Å; P81-V156 HydrophobicContact CG-CG1 3.52Å; P81-V156 HydrophobicContact CG-CG2 3.78Å; L140-V156 HydrophobicContact CD1-CG2 3.75Å; L140-V156 HydrophobicContact CD2-CG2 4.08Å; V156-Q158 PolarHBondContact O-N 2.89Å
157A72.9Confident69.7Low13 Ų1384.6 Ų84.611%0.10742%0.423CS..PPolyproline II helixtrans-66.1120.9175.600000109.6K83 F85 F127 K155K83-A157 HydrophobicContact CB-CB 3.91Å; K83-A157 HydrophobicContact CD-CB 4.3Å; K83-A157 HydrophobicContact CG-CB 3.69Å; K83-A157 WeakPolarHBondContact O-CB 3.39Å; K83-A157 PolarHBondContact O-N 3.07Å; F85-A157 HydrophobicContact CB-CB 4.44Å; F127-A157 HydrophobicContact CD1-CB 3.94Å; F127-A157 HydrophobicContact CE1-CB 4.21Å; K155-A157 PolarHBondContact O-N 3.01Å
158Q69.4Low68.5Low99 Ų9990.9 Ų90.946%0.46345%0.452SS..PPolyproline II helixtrans-86.5138.3171.5-66.3-169-4.700109.8V156V156-Q158 PolarHBondContact O-N 2.89Å
159P61.4Low67.6Low80 Ų8096 Ų9652%0.51946%0.461SS..PPolyproline II helixtrans-60.7142.6175.720.8-28.1000110.8E161 V162 Y163P159-E161 PolarHBondContact O-N 3.36Å; P159-V162 HydrophobicContact CG-CB 4.49Å; P159-V162 HydrophobicContact CG-CG2 3.86Å; P159-V162 PolarHBondContact O-N 3.1Å; P159-Y163 PolarHBondContact O-N 2.82Å
160K58Low66.7Low186 Ų18699 Ų9981%0.80947%0.465SS*.Hα-helixtrans-52.6-30.1-173.5-166.5174.5-179.1177.50113.7R164K160-R164 WeakPolarHBondContact O-CB 3.48Å; K160-R164 PolarHBondContact O-N 2.63Å; K160-R164 VanDerWaalsContact O-N 3.1Å
161E56.2Low65.5Low154 Ų154107.5 Ų107.572%0.7250%0.498SS*.Hα-helixtrans-65.5-40.8175.9-74.2-168.2136.400113.3P159 R164 Q165P159-E161 PolarHBondContact O-N 3.36Å; E161-R164 PolarHBondContact O-N 3.12Å; E161-Q165 PolarHBondContact O-N 2.89Å; E161-Q165 VanDerWaalsContact O-N 3.07Å
162V56.3Low63.7Low62 Ų62104.5 Ų104.538%0.37650%0.504SS..Hα-helixtrans-67.6-41.6-179.9177.10000110P159 R164 Q165 Q166P159-V162 HydrophobicContact CG-CB 4.49Å; P159-V162 HydrophobicContact CG-CG2 3.86Å; P159-V162 PolarHBondContact O-N 3.1Å; V162-R164 PolarHBondContact O-N 3.23Å; V162-Q165 PolarHBondContact O-N 3.45Å; V162-Q166 PolarHBondContact O-N 2.83Å
163Y57.5Low62Low135 Ų135107.6 Ų107.653%0.52954%0.536SS..Hα-helixtrans-65.8-37.1177.2-154.9-106.3000112.4P159 Q166 Q167P159-Y163 PolarHBondContact O-N 2.82Å; Y163-Q166 PolarHBondContact O-N 3.4Å; Y163-Q167 HydrophobicContact CE1-CG 4.48Å; Y163-Q167 PolarHBondContact O-N 3.4Å
164R59.7Low60Low188 Ų188115 Ų11571%0.70957%0.568SS**Hα-helixtrans-68.3-38.1177.4-145.6175.886.2178.54.8111.8K160 E161 V162 Q168K160-R164 WeakPolarHBondContact O-CB 3.48Å; K160-R164 PolarHBondContact O-N 2.63Å; K160-R164 VanDerWaalsContact O-N 3.1Å; E161-R164 PolarHBondContact O-N 3.12Å; V162-R164 PolarHBondContact O-N 3.23Å; R164-Q168 WeakPolarHBondContact O-CB 3.48Å; R164-Q168 PolarHBondContact O-N 2.82Å; R164-Q168 VanDerWaalsContact O-N 3.15Å
165Q55.6Low58Low143 Ų143118.2 Ų118.267%0.66860%0.6SS**Hα-helixtrans-66.9-42.1173.3-100.5176.64.400112.5E161 V162 Q168 Q169E161-Q165 PolarHBondContact O-N 2.89Å; E161-Q165 VanDerWaalsContact O-N 3.07Å; V162-Q165 PolarHBondContact O-N 3.45Å; Q165-Q168 PolarHBondContact O-N 3.15Å; Q165-Q169 PolarHBondContact O-N 3.38Å
166Q56Low56.2Low104 Ų104122 Ų12249%0.48663%0.625SS.*Hα-helixtrans-65.8-40179.4-119.4173.930.700112.8V162 Y163 Q168 Q169 Q170V162-Q166 PolarHBondContact O-N 2.83Å; Y163-Q166 PolarHBondContact O-N 3.4Å; Q166-Q168 VanDerWaalsContact C-N 3.35Å; Q166-Q169 PolarHBondContact O-N 3.13Å; Q166-Q170 PolarHBondContact O-N 3.14Å; Q166-Q170 VanDerWaalsContact O-N 3.08Å
167Q54.1Low54.6Low98 Ų98123.4 Ų123.446%0.45864%0.643SS.*Hα-helixtrans-67.8-33.7173.2-79.1-167.916.300113Y163 Q169 Q170 K171Y163-Q167 HydrophobicContact CE1-CG 4.48Å; Y163-Q167 PolarHBondContact O-N 3.4Å; Q167-Q169 VanDerWaalsContact C-N 3.27Å; Q167-Q169 PolarHBondContact O-N 3.13Å; Q167-Q170 PolarHBondContact O-N 2.86Å; Q167-K171 WeakPolarHBondContact O-CB 3.18Å; Q167-K171 PolarHBondContact O-N 2.95Å
168Q54.6Low53.3Low139 Ų139129.7 Ų129.765%0.6568%0.681SS**Hα-helixtrans-68.5-30.9176.2-139.9163.923.200111.5R164 Q165 Q166 G172R164-Q168 WeakPolarHBondContact O-CB 3.48Å; R164-Q168 PolarHBondContact O-N 2.82Å; R164-Q168 VanDerWaalsContact O-N 3.15Å; Q165-Q168 PolarHBondContact O-N 3.15Å; Q166-Q168 VanDerWaalsContact C-N 3.35Å; Q168-G172 PolarHBondContact O-N 3.11Å; Q168-G172 VanDerWaalsContact O-N 3.12Å
169Q53.7Low51.9Low162 Ų162128.9 Ų128.976%0.75770%0.699SS**Hα-helixtrans-75.9-31.7174.9-152.9144.749.700112.7Q165 Q166 Q167Q165-Q169 PolarHBondContact O-N 3.38Å; Q166-Q169 PolarHBondContact O-N 3.13Å; Q167-Q169 VanDerWaalsContact C-N 3.27Å; Q167-Q169 PolarHBondContact O-N 3.13Å
170Q51.6Low50.9Low163 Ų163129 Ų12976%0.76271%0.714SS**Hα-helixtrans-78.2-27.9171.7-77.6-175.9100113.9Q166 Q167Q166-Q170 PolarHBondContact O-N 3.14Å; Q166-Q170 VanDerWaalsContact O-N 3.08Å; Q167-Q170 PolarHBondContact O-N 2.86Å
171K49.5Very low50Low190 Ų190132.7 Ų132.783%0.82672%0.723SS**Hα-helixtrans-84.1-5.7171.9-93.1-172.4172.7-177.60114.5Q167Q167-K171 WeakPolarHBondContact O-CB 3.18Å; Q167-K171 PolarHBondContact O-N 2.95Å
172G46.2Very low49.1Very low68 Ų68129.3 Ų129.370%0.70173%0.73SS**THydrogen-bonded Turntrans-87.8-5.317100000114.7Q168Q168-G172 PolarHBondContact O-N 3.11Å; Q168-G172 VanDerWaalsContact O-N 3.12Å
173G50Low48.2Very low64 Ų64130.5 Ų130.566%0.6675%0.754SS**SBendtrans-109.410.8-170.500000116.5
174K46.3Very low47.2Very low209 Ų209127.7 Ų127.791%0.90977%0.766SS**SBendtrans-142.277.6177.1-101.3-178.6174.8174.90110.3
175G45.1Very low46Very low67 Ų67131 Ų13169%0.69178%0.779SS**SBendtrans174.350177.800000113.3
176N46.7Very low45Very low169 Ų169128 Ų12890%0.90479%0.787SS**  trans-163.166.9157.7-104-6.9000109.8
177A46.6Very low44Very low98 Ų98135.5 Ų135.581%0.8181%0.81SS**SBendtrans-141.339.4166.300000110.5
178T45.5Very low43Very low146 Ų146134.3 Ų134.390%0.89682%0.824SS**SBendtrans-158114.4162.3-43.90000108.7
179G39.8Very low41.9Very low81 Ų81140.2 Ų140.284%0.83584%0.841SS**SBendtrans117.492.2161.800000116.2
180G39.2Very low40.9Very low82 Ų82136.2 Ų136.285%0.84584%0.843SS**  trans97.654.6135.500000118.8
181R40.9Very low40Very low265 Ų265138.1 Ų138.1100%185%0.852SS**  trans-91.8103.3145.2-102.4-174.8179.3176.10.4108
182G36.4Very low39.2Very low83 Ų83132.2 Ų132.286%0.85685%0.845SS**  trans157.588.5171.100000112.8
183G38.3Very low38.6Very low86 Ų86137.6 Ų137.689%0.88785%0.852SS**  trans-164.835.5176.100000113
184G35.8Very low37.5Very low76 Ų76141.2 Ų141.278%0.78486%0.856SS**  trans-106.1117.5174.900000110.5
185R35.3Very low36.6Very low258 Ų258141.1 Ų141.197%0.97485%0.85SS**  trans-44.6136.7177.3-61.4165176.6164.9-2.6113.5
186G33.7Very low35.8Very low81 Ų81142.7 Ų142.784%0.83584%0.843SS**  trans-177.1127.4167.800000114.3
187R34.4Very low35Very low260 Ų260143 Ų14398%0.98184%0.839SS**  trans-81.8158.9-168.1-63.7162.7171.3176.6-3.3114.6
188G32.9Very low34.1Very low73 Ų73141.4 Ų141.475%0.75383%0.831SS**  trans127.295.3151.400000113.8
189R32.9Very low33.2Very low264 Ų264143.8 Ų143.8100%0.99683%0.83SS**  51.6117.485.1-83.3-162.9-178.5-1672116.3
190G32.5Very low32.7Very low77 Ų77147 Ų14779%0.79483%0.828SS**  trans134.292.9165.300000110.1
191Q32.3Very low32.2Very low204 Ų204150.4 Ų150.495%0.95383%0.827SS**  72.3111.557.3-150.6167.848.800113.7
192G32.2Very low31.5Very low66 Ų66147.3 Ų147.368%0.6882%0.817SS**  trans136.582.3172.800000111.6
193Q33.3Very low31.1Very low181 Ų181151.6 Ų151.685%0.84681%0.808SS**  74.813784.7-70.8-170.427.600115.8
194N27.8Very low30.7Very low140 Ų140153 Ų15375%0.74980%0.795SS**  trans85.2135.4170.4-823.3000118.9
195W26.8Very low30.3Very low206 Ų206157.2 Ų157.278%0.7879%0.794SS**  cis179.1145.4-26.5-121.883.2000104.1
196N29.2Very low30Very low101 Ų101147.9 Ų147.954%0.5478%0.778SS.*  trans66.4112.8155.2-105.37.3000124.1
197Q30Very low29.7Very low175 Ų175155.4 Ų155.482%0.81878%0.783SS**  52.3125.1112.1-67.4179.139.500120.2
198G27.8Very low29.4Very low64 Ų64146.5 Ų146.566%0.6677%0.773SS**  126.3112.4120.900000116.4
199F26.6Very low29.1Very low196 Ų196150.9 Ų150.986%0.8678%0.779SS**  trans45.4110.2136.8-84.5-97.3000119.3
200N28.4Very low28.8Very low148 Ų148148.4 Ų148.479%0.79177%0.771SS**  174.9132.593.3-98.8-39.8000112.3
201N28.4Very low28.6Very low154 Ų154151.7 Ų151.782%0.82477%0.771SS**  trans-58.3146.1153.1-84.5-54000109.8
202Y27.7Very low28.5Very low201 Ų201147.2 Ų147.279%0.78876%0.762SS**  176.9142.4105.3-157.8-112.7000110.1
203Y26.3Very low28.2Very low172 Ų172147.7 Ų147.768%0.67576%0.759SS**  trans-1.5137160.5-80.4-112000119
204D29.8Very low28Very low115 Ų115150.3 Ų150.362%0.61576%0.763SS**  163.1116.694-143.6-129.2000106.8
205Q28.5Very low28.1Very low165 Ų165148.8 Ų148.877%0.77176%0.763SS**  77.9140.585.3-154.4-178.4116.100113.5
206G28.4Very low28.2Very low62 Ų62144.7 Ų144.764%0.63976%0.757SS**  trans105.186.9158.200000114
207Y27.6Very low28.2Very low239 Ų239147.3 Ų147.394%0.93777%0.766SS**  57101.292.8-92.5-90.5000115.5
208G27.6Very low28Very low74 Ų74143.4 Ų143.476%0.76376%0.758SS**  65.8121.4127.600000119.5
209N26.2Very low28.2Very low164 Ų164151.1 Ų151.188%0.87777%0.768SS**  -164.3151.2116.4-147.2-17.5000112.6
210Y28.3Very low28.4Very low212 Ų212146.7 Ų146.783%0.83176%0.762SS**  trans-64.2158170.6-101.9-110.5000114.3
211N27.5Very low28.5Very low147 Ų147142.6 Ų142.679%0.78675%0.754SS**  trans93.197.1144.7-125.62.1000120.2
212S29.7Very low28.6Very low109 Ų109146.2 Ų146.276%0.76276%0.758SS**  72.1146.4115.1-159.90000122.4
213A26.3Very low28.7Very low77 Ų77140.4 Ų140.464%0.63676%0.759SS**  trans82.610616300000117.1
214Y28.5Very low28.9Very low236 Ų236135.8 Ų135.893%0.92576%0.764SS**  -152.7113.8120-99.5-77.7000109.1
215S30.5Very low29Very low107 Ų107141.3 Ų141.375%0.74878%0.777SS**  trans-75.4135154.351.30000108.5
216D28.6Very low29Very low120 Ų120141.3 Ų141.364%0.64278%0.783SS**  -174.3142.5124-151.4-161.9000112.3
217Q30.2Very low29Very low157 Ų157148.1 Ų148.173%0.73479%0.791SS**  trans46.9138.9148-79.3155.434.100120.5
218S25.7Very low29.2Very low92 Ų92142.3 Ų142.364%0.64379%0.785SS**  cis172.5130.32.444.80000105.1
219Y31.2Very low29.2Very low226 Ų226142.3 Ų142.389%0.88679%0.785SS**  -176.5131.9124.1-124.8-100.1000110.6
220S31.7Very low29.4Very low104 Ų104146 Ų14673%0.72779%0.789SS**  trans-37152.4168.5-52.80000115.2
221G29Very low29.3Very low61 Ų61143.3 Ų143.363%0.62979%0.788SS**  cis167.81674.500000112.7
222Y30.6Very low29.6Very low231 Ų231146 Ų14691%0.90679%0.789SS**  trans54.5117.4154.1-67.9-89.4000117.6
223G30.5Very low30.1Very low79 Ų79146.4 Ų146.481%0.81479%0.789SS**  96.3135.650.400000107.6
224G29.5Very low30.2Very low74 Ų74148.4 Ų148.476%0.76379%0.789SS**  cis-171.6-173.37.200000109.2
225Y32.5Very low30.3Very low231 Ų231147 Ų14791%0.90678%0.783SS**  trans-50.5151.9173-66.5-98000113.9
226D28.1Very low30Very low165 Ų165145 Ų14588%0.88278%0.78SS**  -164.3163.6120.1-125-57.4000114.7
227Y29.2Very low30.1Very low205 Ų205150.4 Ų150.480%0.80479%0.793SS**  trans-102164.6-164.9-157.9-103.7000111.5
228S31.6Very low30Very low117 Ų117146.3 Ų146.382%0.81879%0.793SS**  trans78.4143.2159.481.80000120.8
229G27.6Very low30.8Very low74 Ų74148.5 Ų148.576%0.76381%0.805SS**  trans14796.5153.500000116
230Y30.5Very low30.6Very low243 Ų243140.6 Ų140.695%0.95379%0.792SS**  trans-58.7150.4161.1-86.8-99.9000112
231N26.1Very low30.7Very low155 Ų155147 Ų14783%0.82980%0.802SS**  156.3138.9120.7-157.47.4000113
232Y33.8Very low30.8Very low202 Ų202150.3 Ų150.379%0.79281%0.81SS**  trans-86.4152.3165.2-126.3-106.5000108.1
233P41.5Very low30.8Very low119 Ų119146.9 Ų146.977%0.77381%0.808SS**  -155147.781.836.5-14.9000118
234N28.2Very low30.8Very low118 Ų118154 Ų15463%0.63181%0.811SS**  50.5147.4129.8-146.10.8000124.5
235Y29Very low31Very low206 Ų206156.1 Ų156.181%0.80882%0.815SS**  trans94.8126155.6-84.9-80000122.5
236G25.9Very low30.9Very low65 Ų65148.3 Ų148.367%0.6780%0.804SS**  trans133.686.8150.600000115
237Y29.6Very low31.2Very low234 Ų234149.3 Ų149.392%0.91880%0.803SS**  81.8122.9101.2-106.7-98.4000116.1
238G28.1Very low31.3Very low71 Ų71147 Ų14773%0.73280%0.8SS**  trans-72.8-143.6-173.200000116.1
239P43.2Very low31.4Very low138 Ų138146 Ų14690%0.89679%0.793SS**  cis-119.2178.80.535.8-16.3000111.4
240G27.3Very low31.6Very low60 Ų60148 Ų14862%0.61979%0.791SS**  cis123117.125.300000108.2
241Y32Very low31.6Very low240 Ų240147.3 Ų147.394%0.94179%0.788SS**  trans-158.4106.7153.9-90.7-70.9000109.7
242T31.9Very low31.9Very low129 Ų129143.1 Ų143.179%0.79178%0.782SS**  trans-79.1141.2157.925.40000109.4
243D29.9Very low32Very low160 Ų160143.6 Ų143.686%0.85679%0.788SS**  trans-129.4127.6158.4-113.5-39.7000110
244Y31.6Very low31.8Very low228 Ų228142.5 Ų142.589%0.89479%0.789SS**  trans-133.5118.6-179.7-131.2-82.7000106.9
245S33.8Very low32.2Very low119 Ų119142.2 Ų142.283%0.83280%0.796SS**  trans-163127161.163.90000106.4
246G30.9Very low32.7Very low66 Ų66144.3 Ų144.368%0.6880%0.802SS**  cis128.6106.918.300000108.2
247Q32.8Very low32.9Very low186 Ų186144.8 Ų144.887%0.86981%0.808SS**  trans65.2151.9151-72.4-173.421.100118.5
248Q31.6Very low33Very low158 Ų158137.7 Ų137.774%0.73881%0.805SS**  cis-174141.40.3172.1175.516.900109.5
249S33.9Very low33.3Very low96 Ų96138 Ų13867%0.67181%0.809SS**  trans42143.7146.7-45.90000127.6
250T31.4Very low33.2Very low116 Ų116138.4 Ų138.471%0.71280%0.804SS**  trans88.2112.9137.1-4.20000121.3
251Y32.2Very low33.8Very low227 Ų227143.2 Ų143.289%0.8981%0.81SS**  173140.7107.8-109.7-91.7000110.9
252G31.2Very low34.1Very low68 Ų68139.9 Ų139.970%0.70180%0.803SS**  trans-95.8-169-163.600000117.5
253K36.7Very low34.6Very low212 Ų212141.3 Ų141.392%0.92281%0.805SS**  trans169.7127.1137.9-99.1177.3-179.6178.60112.1
254A35.9Very low35.1Very low96 Ų96140.4 Ų140.479%0.79380%0.8SS**  trans60.110913500000122.1
255S37.1Very low35.4Very low112 Ų112139.8 Ų139.878%0.78380%0.798SS**  2.2133129-162.50000120.1
256R39.6Very low35.8Very low249 Ų249141.2 Ų141.294%0.9479%0.792SS**  trans179.2119.7134.8-94.6165.8-170.7-172.73.2105.3
257G31Very low36.9Very low76 Ų76143.3 Ų143.378%0.78479%0.793SS**  cis104.596.14100000108.3
258G31.8Very low37.8Very low84 Ų84149.1 Ų149.187%0.86681%0.809SS**  trans84.1127.3144.300000119.5
259G34Very low38.1Very low79 Ų79148.7 Ų148.781%0.81481%0.813SS**  114.3113.6123.100000117.5
260N40Very low38.4Very low146 Ų146151.5 Ų151.578%0.78182%0.82SS**  trans-20.5150.1152.5-79.1-28.9000116.3
261H39.4Very low38.7Very low161 Ų161153.4 Ų153.475%0.74583%0.826SS**  177.5130.1103.9-86.191.8000112.3
262Q40Very low39.1Very low169 Ų169149.1 Ų149.179%0.7982%0.823SS**  trans50.6118.6137.3-75.2170.2-39.300123.4
263N42.6Very low39.6Very low159 Ų159154.2 Ų154.285%0.8583%0.83SS**  8.4138.6121.7-71.2-34.2000119.9
264N40.6Very low39.8Very low141 Ų141150.3 Ų150.375%0.75482%0.824SS**  trans114.8125.3135-148.622.7000115.7
265Y36.4Very low40.1Very low216 Ų216154.2 Ų154.285%0.84783%0.826SS**  trans168148.9150.1-104.6-81.3000107.7
266Q41.9Very low40.3Very low149 Ų149157.5 Ų157.570%0.69683%0.83SS**  -167.2165.1-55.1-121.2-170.2-23.500104.6
267P54.7Low40.4Very low109 Ų109149.8 Ų149.871%0.70882%0.821SS**  trans-88.1162.9-173.936.1-32.6000113.4
268Y52.1Low41.2Very low309 Ų309156.5 Ų156.5100%1.21282%0.824SS**  trans-127.70143.3-99.6-85000107.9

Retrieved 268 of 268 residues in 863.7 ms (Link to these results)

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