A0A087Y8R1_POEFO Loading...

Tumor necrosis factor receptor superfamily, member 1B

AlphaFold DB , UniProt , Accession A0A087Y8R1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.4Low73.2Confident189 Ų189112.5 Ų112.593%0.93158%0.581SS**  0-54.20-80.9-159.1-67.600110.6D3 I4 L5M1-D3 PolarHBondContact N-OD2 2.74Å; M1-D3 PolarHBondContact O-N 3.29Å; M1-I4 WeakPolarHBondContact O-CB 3.23Å; M1-I4 PolarHBondContact O-N 3.28Å; M1-L5 PolarHBondContact O-N 2.03Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2K62.8Low72.6Confident178 Ų178108.6 Ų108.677%0.77457%0.566SS**Hα-helixtrans-52.2-38.1177.5-143.6161.4-176.3173.90112.4L5 V6K2-L5 WeakPolarHBondContact O-CB 3.08Å; K2-L5 PolarHBondContact O-N 2.88Å; K2-V6 WeakPolarHBondContact O-CG2 3.43Å; K2-V6 PolarHBondContact O-N 2.73Å
3D71.4Confident71.8Confident116 Ų116109.5 Ų109.562%0.6257%0.571SS**Hα-helixtrans-65.8-36.5177.8-16.7-87.2000112.5M1 V6 L7M1-D3 PolarHBondContact N-OD2 2.74Å; M1-D3 PolarHBondContact O-N 3.29Å; D3-V6 PolarHBondContact O-N 2.97Å; D3-L7 WeakPolarHBondContact O-CB 3.14Å; D3-L7 PolarHBondContact O-N 2.96Å
4I79.8Confident70.9Confident92 Ų92117.1 Ų117.147%0.47259%0.588SS.*Hα-helixtrans-72-37.6176.2-55.4173.5000109.6M1 L7 L8M1-I4 WeakPolarHBondContact O-CB 3.23Å; M1-I4 PolarHBondContact O-N 3.28Å; I4-L7 PolarHBondContact O-N 2.85Å; I4-L8 HydrophobicContact CG2-CD1 4.15Å; I4-L8 WeakPolarHBondContact O-CB 3.06Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.05Å; I4-L8 PolarHBondContact O-N 2.88Å
5L73.4Confident69.5Low108 Ų108116.1 Ų116.157%0.56559%0.591SS**Hα-helixtrans-66.3-41.1173.5-176.764.8000111.5M1 K2 L8 L9M1-L5 PolarHBondContact O-N 2.03Å; M1-L5 VanDerWaalsContact O-N 3.16Å; K2-L5 WeakPolarHBondContact O-CB 3.08Å; K2-L5 PolarHBondContact O-N 2.88Å; L5-L8 PolarHBondContact O-N 2.9Å; L5-L9 HydrophobicContact CG-CD1 4.28Å; L5-L9 WeakPolarHBondContact O-CB 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.42Å
6V83.4Confident68.7Low79 Ų79115.8 Ų115.848%0.47959%0.59SS.*Hα-helixtrans-63.3-44.4172.9171.40000111.1K2 D3 L8 L9 L10K2-V6 WeakPolarHBondContact O-CG2 3.43Å; K2-V6 PolarHBondContact O-N 2.73Å; D3-V6 PolarHBondContact O-N 2.97Å; V6-L8 PolarHBondContact O-N 3.05Å; V6-L9 PolarHBondContact O-N 3.38Å; V6-L10 HydrophobicContact CG1-CD1 3.93Å; V6-L10 HydrophobicContact CG1-CG 4.4Å; V6-L10 WeakPolarHBondContact O-CB 3.08Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.02Å; V6-L10 PolarHBondContact O-N 3.38Å
7L78.6Confident67.5Low113 Ų113119.5 Ų119.559%0.59260%0.601SS**Hα-helixtrans-63.5-41.4176.8-168.870.3000111.6D3 I4 L10 V11D3-L7 WeakPolarHBondContact O-CB 3.14Å; D3-L7 PolarHBondContact O-N 2.96Å; I4-L7 PolarHBondContact O-N 2.85Å; L7-L10 PolarHBondContact O-N 2.9Å; L7-V11 WeakPolarHBondContact O-CB 3.2Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 2.95Å
8L76.1Confident66.8Low97 Ų97119.1 Ų119.151%0.50861%0.605SS.*Hα-helixtrans-63.2-43174.3-78.6166.8000112I4 L5 V6 V11 T12I4-L8 HydrophobicContact CG2-CD1 4.15Å; I4-L8 WeakPolarHBondContact O-CB 3.06Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.05Å; I4-L8 PolarHBondContact O-N 2.88Å; L5-L8 PolarHBondContact O-N 2.9Å; V6-L8 PolarHBondContact O-N 3.05Å; L8-V11 PolarHBondContact O-N 2.04Å; L8-T12 WeakPolarHBondContact O-CG2 3.32Å; L8-T12 PolarHBondContact O-N 3.35Å; L8-T12 PolarHBondContact O-OG1 3.11Å
9L76.4Confident66.7Low92 Ų92123.5 Ų123.548%0.48261%0.614SS.*Hα-helixtrans-63.2-42174.7-76.7166.3000112.1L5 V6 V11 T12 L13L5-L9 HydrophobicContact CG-CD1 4.28Å; L5-L9 WeakPolarHBondContact O-CB 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.42Å; V6-L9 PolarHBondContact O-N 3.38Å; L9-V11 VanDerWaalsContact C-N 3.34Å; L9-T12 WeakPolarHBondContact CA-OG1 3.2Å; L9-T12 PolarHBondContact O-N 2.87Å; L9-T12 PolarHBondContact O-OG1 2.79Å; L9-T12 VanDerWaalsContact O-OG1 3.07Å; L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 WeakPolarHBondContact O-CD1 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.14Å
10L74.3Confident67.2Low98 Ų98121.6 Ų121.651%0.51361%0.613SS.*Hα-helixtrans-66.8-36.5175.1-70.2172.3000111.7V6 L7 R14V6-L10 HydrophobicContact CG1-CD1 3.93Å; V6-L10 HydrophobicContact CG1-CG 4.4Å; V6-L10 WeakPolarHBondContact O-CB 3.08Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.02Å; V6-L10 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 2.9Å; L10-R14 WeakPolarHBondContact O-CB 3.18Å; L10-R14 WeakPolarHBondContact O-CG 3.45Å; L10-R14 PolarHBondContact O-N 3.31Å
11V69.9Low68.2Low75 Ų75118 Ų11846%0.45560%0.596SS.*Hα-helixtrans-69.3-42.4174.5168.50000111.4L7 L8 L9 R14 T15L7-V11 WeakPolarHBondContact O-CB 3.2Å; L7-V11 VanDerWaalsContact O-CG2 3.26Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 2.95Å; L8-V11 PolarHBondContact O-N 2.04Å; L9-V11 VanDerWaalsContact C-N 3.34Å; V11-R14 CarbonylContact O-C 3.5Å; V11-R14 WeakPolarHBondContact O-CA 2.9Å; V11-R14 WeakPolarHBondContact O-CB 3.48Å; V11-R14 PolarHBondContact O-N 3.19Å; V11-R14 VanDerWaalsContact O-N 3.08Å; V11-T15 HydrophobicContact CG1-CG2 4.42Å; V11-T15 WeakPolarHBondContact O-CG2 2.95Å; V11-T15 PolarHBondContact O-N 3.26Å; V11-T15 PolarHBondContact O-OG1 2.89Å
12T66Low69.9Low66 Ų66110.1 Ų110.141%0.40556%0.558SS.*Hα-helixtrans-66.1-38.6175.855.10000111.9L8 L9 R14 T15 I16L8-T12 WeakPolarHBondContact O-CG2 3.32Å; L8-T12 PolarHBondContact O-N 3.35Å; L8-T12 PolarHBondContact O-OG1 3.11Å; L9-T12 WeakPolarHBondContact CA-OG1 3.2Å; L9-T12 PolarHBondContact O-N 2.87Å; L9-T12 PolarHBondContact O-OG1 2.79Å; L9-T12 VanDerWaalsContact O-OG1 3.07Å; T12-R14 PolarHBondContact O-N 3.15Å; T12-T15 WeakPolarHBondContact CA-OG1 3.39Å; T12-T15 PolarHBondContact O-N 2.75Å; T12-T15 PolarHBondContact O-OG1 3.38Å; T12-T15 VanDerWaalsContact O-OG1 3.08Å; T12-I16 WeakPolarHBondContact O-CG1 3.48Å; T12-I16 PolarHBondContact O-N 2.81Å
13L61.9Low71.4Confident120 Ų120102.9 Ų102.963%0.62853%0.526SS*.Hα-helixtrans-63.5-28.1170.7-71.7167.2000112.9L9L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 WeakPolarHBondContact O-CD1 3.46Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.14Å
14R59.3Low72.5Confident216 Ų216104.5 Ų104.582%0.81553%0.53SS*.Hα-helixtrans-80.2-30.3173-66.6-88.2-172.1-171.41.7112.8L10 V11 T12L10-R14 WeakPolarHBondContact O-CB 3.18Å; L10-R14 WeakPolarHBondContact O-CG 3.45Å; L10-R14 PolarHBondContact O-N 3.31Å; V11-R14 CarbonylContact O-C 3.5Å; V11-R14 WeakPolarHBondContact O-CA 2.9Å; V11-R14 WeakPolarHBondContact O-CB 3.48Å; V11-R14 PolarHBondContact O-N 3.19Å; V11-R14 VanDerWaalsContact O-N 3.08Å; T12-R14 PolarHBondContact O-N 3.15Å
15T50.7Low73.2Confident103 Ų103101.2 Ų101.263%0.63252%0.515SS*.Hα-helixtrans-82.1-28.4176.658.70000113V11 T12 K17V11-T15 HydrophobicContact CG1-CG2 4.42Å; V11-T15 WeakPolarHBondContact O-CG2 2.95Å; V11-T15 PolarHBondContact O-N 3.26Å; V11-T15 PolarHBondContact O-OG1 2.89Å; T12-T15 WeakPolarHBondContact CA-OG1 3.39Å; T12-T15 PolarHBondContact O-N 2.75Å; T12-T15 PolarHBondContact O-OG1 3.38Å; T12-T15 VanDerWaalsContact O-OG1 3.08Å; T15-K17 PolarHBondContact O-N 3.37Å
16I55.5Low74.2Confident110 Ų110100 Ų10056%0.56451%0.509SS*.SBendtrans-72.671.8161.7-54.3166.8000107.6T12 V18T12-I16 WeakPolarHBondContact O-CG1 3.48Å; T12-I16 PolarHBondContact O-N 2.81Å; I16-V18 HydrophobicContact CG2-CG2 3.92Å; I16-V18 PolarHBondContact O-N 3.27Å
17K48.8Very low74.7Confident179 Ų179102 Ų10278%0.77853%0.526SS*.  trans-71.477.6170-170170-173.9173.20108.1T15 R19T15-K17 PolarHBondContact O-N 3.37Å; K17-R19 PolarHBondContact O-N 2.86Å
18V55.7Low75.4Confident113 Ų113102.4 Ų102.469%0.68553%0.529SS*.  trans-48.8112.7168.9-1790000106.2I16 S20I16-V18 HydrophobicContact CG2-CG2 3.92Å; I16-V18 PolarHBondContact O-N 3.27Å; V18-S20 PolarHBondContact O-N 2.75Å
19R63.9Low76.1Confident202 Ų20299.4 Ų99.476%0.76252%0.521SS*.  trans-76.983-178.2-65.4-179.9-176.6167.2-0.1106.9K17 L21K17-R19 PolarHBondContact O-N 2.86Å; R19-L21 PolarHBondContact O-N 2.89Å
20S76.8Confident76.9Confident86 Ų8698.1 Ų98.160%0.60152%0.515SS*.  trans-57.4107177.954.30000109.2V18V18-S20 PolarHBondContact O-N 2.75Å
21L88.9Confident78Confident47 Ų4793.9 Ų93.925%0.24649%0.494CS..SBendtrans-77.8146.6154.8-74.5138.3000108R19 Y23 E37 K48 D65R19-L21 PolarHBondContact O-N 2.89Å; L21-Y23 HydrophobicContact CD2-CD1 3.9Å; L21-Y23 HydrophobicContact CD2-CE1 3.68Å; L21-Y23 HydrophobicContact CG-CD1 4.19Å; L21-Y23 HydrophobicContact CG-CE1 4.26Å; L21-E37 HydrophobicContact CD2-CG 4.21Å; L21-K48 HydrophobicContact CD1-CB 4.27Å; L21-D65 HydrophobicContact CB-CB 4.07Å; L21-D65 VanDerWaalsContact CB-CG 3.48Å
22P94.3Very high79.1Confident23 Ų2398.1 Ų98.115%0.14950%0.501CS..SBendcis-82.8161.4-5.931.9-27.6000112.2L45 C46 C47 C60 S61P22-L45 HydrophobicContact CB-CB 4.1Å; P22-L45 HydrophobicContact CB-CD1 4.06Å; P22-L45 HydrophobicContact CG-CD1 3.99Å; P22-C46 VanDerWaalsContact CA-O 3.22Å; P22-C46 WeakPolarHBondContact CA-O 3.45Å; P22-C46 WeakPolarHBondContact CB-O 3.33Å; P22-C47 VanDerWaalsContact CB-SG 3.54Å; P22-C60 HydrophobicContact CB-CB 4.25Å; P22-C60 HydrophobicContact CG-CB 4.27Å; P22-S61 WeakPolarHBondContact CG-O 3.38Å
23Y93.7Very high80.5Confident25 Ų2597.2 Ų97.210%0.09849%0.494CS..BIsolated β-bridgetrans-148.8159.2-177.369.1-88.5000111.6L21 R32 E37 L45 C46L21-Y23 HydrophobicContact CD2-CD1 3.9Å; L21-Y23 HydrophobicContact CD2-CE1 3.68Å; L21-Y23 HydrophobicContact CG-CD1 4.19Å; L21-Y23 HydrophobicContact CG-CE1 4.26Å; Y23-R32 VanDerWaalsContact CD1-NH1 3.33Å; Y23-R32 VanDerWaalsContact CD2-NH1 3.27Å; Y23-R32 VanDerWaalsContact CE1-NH1 3.34Å; Y23-R32 HydrophobicContact CE2-CG 4.07Å; Y23-R32 VanDerWaalsContact CE2-NH1 3.31Å; Y23-R32 VanDerWaalsContact CG-NH1 3.32Å; Y23-R32 WeakPolarHBondContact OH-CB 3.4Å; Y23-R32 VanDerWaalsContact OH-CG 3.23Å; Y23-R32 WeakPolarHBondContact OH-CG 3.2Å; Y23-R32 PolarHBondContact OH-N 3.48Å; Y23-E37 PolarHBondContact OH-OE2 2.75Å; Y23-L45 CarbonylContact O-C 3.55Å; Y23-L45 WeakPolarHBondContact O-CA 3.24Å; Y23-C46 HydrophobicContact CD1-CB 4.24Å; Y23-C46 HydrophobicContact CD2-CB 4.28Å; Y23-C46 HydrophobicContact CE1-CB 3.76Å; Y23-C46 HydrophobicContact CE2-CB 3.78Å; Y23-C46 HydrophobicContact CG-CB 4.46Å; Y23-C46 VanDerWaalsContact CZ-CB 3.47Å; Y23-C46 PolarHBondContact N-O 2.99Å; Y23-C46 VanDerWaalsContact N-O 3.1Å; Y23-C46 WeakPolarHBondContact O-CB 3.47Å; Y23-C46 PolarHBondContact O-N 2.83Å
24Q95.2Very high82Confident150 Ų15096.5 Ų96.570%0.70149%0.49SS*.  trans-68.5140.3-179-69.6176.8-41.100112.6L45Q24-L45 HydrophobicContact CG-CD2 3.79Å
25P95.2Very high83.7Confident24 Ų2490.3 Ų90.316%0.15648%0.477CS..  trans-62.5173.5174.927.6-35.5000112.9N30 L39 N44P25-N30 WeakPolarHBondContact CA-O 3.24Å; P25-N30 WeakPolarHBondContact CB-O 3.19Å; P25-L39 HydrophobicContact CB-CD1 4.25Å; P25-L39 HydrophobicContact CG-CD1 3.86Å; P25-N44 WeakPolarHBondContact CD-O 3.45Å; P25-N44 WeakPolarHBondContact CG-OD1 2.95Å
26D94.2Very high85.9Confident81 Ų8189.1 Ų89.143%0.43346%0.463SS..  trans-70.6179.4170.373.114.2000113.2N28 G29 N30D26-N28 PolarHBondContact O-N 2.91Å; D26-N28 VanDerWaalsContact OD1-CA 3.31Å; D26-N28 WeakPolarHBondContact OD1-CA 3.22Å; D26-N28 WeakPolarHBondContact OD1-CB 3.11Å; D26-N28 PolarHBondContact OD1-N 2.97Å; D26-G29 PolarHBondContact O-N 2.87Å; D26-G29 VanDerWaalsContact O-N 3.09Å; D26-G29 PolarHBondContact OD1-N 2.79Å; D26-G29 VanDerWaalsContact OD1-N 3.15Å; D26-N30 PolarHBondContact N-O 2.92Å; D26-N30 PolarHBondContact OD1-N 3.35Å
27S94.1Very high87.9Confident121 Ų12185 Ų8585%0.84644%0.441SS*.THydrogen-bonded Turntrans-59.2-14.2178.453.50000114.6
28N92Very high90.2Very high123 Ų12377.1 Ų77.166%0.65841%0.407SS*.THydrogen-bonded Turntrans-109.56.8-174.3-51.6-3.5000110.8D26 N30D26-N28 PolarHBondContact O-N 2.91Å; D26-N28 VanDerWaalsContact OD1-CA 3.31Å; D26-N28 WeakPolarHBondContact OD1-CA 3.22Å; D26-N28 WeakPolarHBondContact OD1-CB 3.11Å; D26-N28 PolarHBondContact OD1-N 2.97Å; N28-N30 WeakPolarHBondContact CB-ND2 3.48Å; N28-N30 PolarHBondContact O-ND2 2.9Å
29G91.2Very high92.2Very high33 Ų3374.2 Ų74.234%0.3439%0.387SS..SBendtrans81.27.3-178.300000115.1D26D26-G29 PolarHBondContact O-N 2.87Å; D26-G29 VanDerWaalsContact O-N 3.09Å; D26-G29 PolarHBondContact OD1-N 2.79Å; D26-G29 VanDerWaalsContact OD1-N 3.15Å
30N94.4Very high93.8Very high65 Ų6565.7 Ų65.735%0.34836%0.356SS..  trans-92.5151-172.6-62.9-79000113.7P25 D26 N28P25-N30 WeakPolarHBondContact CA-O 3.24Å; P25-N30 WeakPolarHBondContact CB-O 3.19Å; D26-N30 PolarHBondContact N-O 2.92Å; D26-N30 PolarHBondContact OD1-N 3.35Å; N28-N30 WeakPolarHBondContact CB-ND2 3.48Å; N28-N30 PolarHBondContact O-ND2 2.9Å
31C95.5Very high94.6Very high10 Ų1067.3 Ų67.37%0.06836%0.358CS..  trans-95.9149.7169.5-550000111.3D33 L34 E37 C46C31-D33 VanDerWaalsContact C-N 3.31Å; C31-D33 PolarHBondContact O-N 3.11Å; C31-L34 HydrophobicContact CB-CD2 4.22Å; C31-L34 WeakPolarHBondContact O-CD2 3.28Å; C31-E37 HydrophobicContact CB-CB 3.88Å; C31-C46 WeakPolarHBondContact CA-SG 3.41Å; C31-C46 HydrophobicContact CB-CB 3.72Å; C31-C46 WeakPolarHBondContact CB-SG 3.01Å; C31-C46 WeakPolarHBondContact SG-CA 3.5Å; C31-C46 WeakPolarHBondContact SG-CB 3.34Å; C31-C46 CovalentContact SG-SG 2.03Å; C31-C46 PolarHBondContact SG-SG 2.81Å
32R94.5Very high94.8Very high163 Ų16372 Ų7262%0.61538%0.383SS*.THydrogen-bonded Turntrans-63.7-32.2-173-63.7167.4-170.3135.56.2113.4Y23 E37Y23-R32 VanDerWaalsContact CD1-NH1 3.33Å; Y23-R32 VanDerWaalsContact CD2-NH1 3.27Å; Y23-R32 VanDerWaalsContact CE1-NH1 3.34Å; Y23-R32 HydrophobicContact CE2-CG 4.07Å; Y23-R32 VanDerWaalsContact CE2-NH1 3.31Å; Y23-R32 VanDerWaalsContact CG-NH1 3.32Å; Y23-R32 WeakPolarHBondContact OH-CB 3.4Å; Y23-R32 VanDerWaalsContact OH-CG 3.23Å; Y23-R32 WeakPolarHBondContact OH-CG 3.2Å; Y23-R32 PolarHBondContact OH-N 3.48Å; R32-E37 PolarHBondContact N-OE2 3.5Å; R32-E37 VanDerWaalsContact N-OE2 3.11Å
33D95Very high94.9Very high48 Ų4873 Ų7326%0.25739%0.386SS..THydrogen-bonded Turntrans-127.981.5173.4-174.5-10.6000110.4C31 T35 K36 E37C31-D33 VanDerWaalsContact C-N 3.31Å; C31-D33 PolarHBondContact O-N 3.11Å; D33-T35 PolarHBondContact O-N 3.19Å; D33-T35 WeakPolarHBondContact OD1-CA 3.4Å; D33-T35 WeakPolarHBondContact OD1-CB 3.39Å; D33-T35 PolarHBondContact OD1-N 2.85Å; D33-T35 PolarHBondContact OD1-OG1 2.88Å; D33-K36 CarbonylContact O-C 3.53Å; D33-K36 PolarHBondContact O-N 3.43Å; D33-K36 PolarHBondContact OD1-N 2.71Å; D33-K36 IonicContact OD1-NZ 2.65Å; D33-K36 WeakPolarHBondContact OD2-CD 3.4Å; D33-K36 IonicContact OD2-NZ 3.16Å; D33-K36 PolarHBondContact OD2-NZ 2.77Å; D33-E37 HydrophobicContact CB-CG 4.23Å; D33-E37 PolarHBondContact N-OE2 2.02Å; D33-E37 WeakPolarHBondContact O-CA 3.45Å; D33-E37 VanDerWaalsContact O-CB 3.29Å; D33-E37 WeakPolarHBondContact O-CB 3.04Å; D33-E37 PolarHBondContact O-N 3.37Å
34L93.3Very high95Very high104 Ų10476 Ų7655%0.54541%0.405SS..THydrogen-bonded Turntrans-53.6-17.6176-59.9177.3000113.9C31 K49C31-L34 HydrophobicContact CB-CD2 4.22Å; C31-L34 WeakPolarHBondContact O-CD2 3.28Å; L34-K49 PolarHBondContact O-NZ 2.78Å
35T95.9Very high95Very high86 Ų8669.8 Ų69.853%0.52838%0.376SS..THydrogen-bonded Turntrans-79.1-30.8175.676.30000112.9D33 W80D33-T35 PolarHBondContact O-N 3.19Å; D33-T35 WeakPolarHBondContact OD1-CA 3.4Å; D33-T35 WeakPolarHBondContact OD1-CB 3.39Å; D33-T35 PolarHBondContact OD1-N 2.85Å; D33-T35 PolarHBondContact OD1-OG1 2.88Å; T35-W80 VanDerWaalsContact O-CB 3.24Å; T35-W80 WeakPolarHBondContact O-CB 3.45Å
36K96.8Very high95.1Very high79 Ų7968.7 Ų68.734%0.34337%0.369SS..THydrogen-bonded Turntrans-1241.1-175.6-57.1178-152.262.80114.4D33 K49 W80D33-K36 CarbonylContact O-C 3.53Å; D33-K36 PolarHBondContact O-N 3.43Å; D33-K36 PolarHBondContact OD1-N 2.71Å; D33-K36 IonicContact OD1-NZ 2.65Å; D33-K36 WeakPolarHBondContact OD2-CD 3.4Å; D33-K36 IonicContact OD2-NZ 3.16Å; D33-K36 PolarHBondContact OD2-NZ 2.77Å; K36-K49 WeakPolarHBondContact O-CB 3.34Å; K36-K49 PolarHBondContact O-N 2.77Å; K36-W80 HydrophobicContact CB-CD2 4.32Å; K36-W80 HydrophobicContact CB-CE3 4.02Å; K36-W80 HydrophobicContact CB-CZ3 4.2Å; K36-W80 HydrophobicContact CD-CH2 4.05Å; K36-W80 HydrophobicContact CD-CZ2 3.92Å; K36-W80 HydrophobicContact CD-CZ3 4.41Å; K36-W80 HydrophobicContact CG-CD2 3.81Å; K36-W80 HydrophobicContact CG-CE3 3.97Å; K36-W80 HydrophobicContact CG-CG 4.32Å; K36-W80 HydrophobicContact CG-CH2 4.26Å; K36-W80 HydrophobicContact CG-CZ2 4.11Å; K36-W80 HydrophobicContact CG-CZ3 4.19Å
37E97.2Very high95.3Very high24 Ų2464.8 Ų64.811%0.11235%0.348CS..EExtended strand (participates in β ladder)trans-125.7151.2177.8-58174.8159.900109.5L21 Y23 C31 R32 D33 C47 K49L21-E37 HydrophobicContact CD2-CG 4.21Å; Y23-E37 PolarHBondContact OH-OE2 2.75Å; C31-E37 HydrophobicContact CB-CB 3.88Å; R32-E37 PolarHBondContact N-OE2 3.5Å; R32-E37 VanDerWaalsContact N-OE2 3.11Å; D33-E37 HydrophobicContact CB-CG 4.23Å; D33-E37 PolarHBondContact N-OE2 2.02Å; D33-E37 WeakPolarHBondContact O-CA 3.45Å; D33-E37 VanDerWaalsContact O-CB 3.29Å; D33-E37 WeakPolarHBondContact O-CB 3.04Å; D33-E37 PolarHBondContact O-N 3.37Å; E37-C47 CarbonylContact C-O 3.44Å; E37-C47 WeakPolarHBondContact CA-O 3.24Å; E37-K49 WeakPolarHBondContact O-CE 3.24Å; E37-K49 PolarHBondContact O-NZ 2.88Å
38Y96.9Very high95.4Very high13 Ų1363 Ų635%0.05133%0.325CS..EExtended strand (participates in β ladder)trans-127.9153.7170.673.7-78.4000109.6H40 C46 C47 K48 K49 T66 Y82Y38-H40 HydrophobicContact CE2-CB 3.95Å; Y38-C46 WeakPolarHBondContact O-CA 3.4Å; Y38-C47 HydrophobicContact CD1-CB 4.16Å; Y38-C47 WeakPolarHBondContact CD1-O 3.48Å; Y38-C47 HydrophobicContact CE1-CB 3.71Å; Y38-C47 PolarHBondContact N-O 3.26Å; Y38-C47 PolarHBondContact O-N 2.69Å; Y38-K48 WeakPolarHBondContact CE1-O 3.37Å; Y38-K49 HydrophobicContact CD1-CG 4.07Å; Y38-T66 HydrophobicContact CE1-CG2 4.46Å; Y38-Y82 HydrophobicContact CD1-CD1 4.37Å; Y38-Y82 HydrophobicContact CD1-CG 4.16Å; Y38-Y82 HydrophobicContact CD2-CD1 4.49Å; Y38-Y82 AromaticContact CD2-CD2 3.97Å; Y38-Y82 HydrophobicContact CD2-CD2 3.97Å; Y38-Y82 HydrophobicContact CD2-CE2 4.35Å; Y38-Y82 HydrophobicContact CD2-CG 4.04Å; Y38-Y82 HydrophobicContact CE2-CD2 4.27Å; Y38-Y82 HydrophobicContact CE2-CG 4.44Å; Y38-Y82 HydrophobicContact CG-CD1 4.01Å; Y38-Y82 HydrophobicContact CG-CD2 4.29Å; Y38-Y82 AromaticContact CG-CG 3.91Å; Y38-Y82 HydrophobicContact CG-CG 3.91Å
39L97.1Very high95.7Very high51 Ų5158.7 Ų58.727%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-82.6127167.4-17863.3000108.1P25 D41P25-L39 HydrophobicContact CB-CD1 4.25Å; P25-L39 HydrophobicContact CG-CD1 3.86Å; L39-D41 WeakPolarHBondContact CD2-OD1 3.05Å
40H96.8Very high96.1Very high23 Ų2357.1 Ų57.111%0.10628%0.284CS..EExtended strand (participates in β ladder)trans-93.9102.9166-175.51.3000108Y38 D42 I43 N44 L45Y38-H40 HydrophobicContact CE2-CB 3.95Å; H40-D42 IonicContact CE1-OD2 3.27Å; H40-D42 PolarHBondContact CE1-OD2 2.04Å; H40-D42 VanDerWaalsContact CE1-OD2 3.27Å; H40-D42 IonicContact ND1-OD2 3.58Å; H40-D42 PolarHBondContact O-N 3.27Å; H40-I43 HydrophobicContact CB-CD1 4.33Å; H40-I43 HydrophobicContact CB-CG1 3.99Å; H40-I43 VanDerWaalsContact CD2-CD1 3.4Å; H40-I43 WeakPolarHBondContact CD2-CD1 3.31Å; H40-I43 PolarHBondContact O-N 2.97Å; H40-N44 WeakPolarHBondContact O-CA 3.05Å; H40-N44 PolarHBondContact O-N 3.24Å; H40-L45 PolarHBondContact N-O 3.25Å; H40-L45 PolarHBondContact O-N 2.89Å
41D93.9Very high96.3Very high121 Ų12155.5 Ų55.565%0.64728%0.277SS*.G310 helixtrans-61.2-46.1-166.9-59.8-52000112.9L39 I43 N44L39-D41 WeakPolarHBondContact CD2-OD1 3.05Å; D41-I43 PolarHBondContact O-N 3.31Å; D41-I43 VanDerWaalsContact O-N 3.12Å; D41-N44 PolarHBondContact O-N 3.49Å
42D94.4Very high96.4Very high146 Ų14656.9 Ų56.978%0.78129%0.286SS*.G310 helixtrans-58.2-29.9-176.1-54.5-68.2000114.4H40H40-D42 IonicContact CE1-OD2 3.27Å; H40-D42 PolarHBondContact CE1-OD2 2.04Å; H40-D42 VanDerWaalsContact CE1-OD2 3.27Å; H40-D42 IonicContact ND1-OD2 3.58Å; H40-D42 PolarHBondContact O-N 3.27Å
43I94.9Very high96.6Very high42 Ų4249.4 Ų49.422%0.21526%0.26CS..G310 helixtrans-109.3-4.1178.366.6179000113.2H40 D41 L45H40-I43 HydrophobicContact CB-CD1 4.33Å; H40-I43 HydrophobicContact CB-CG1 3.99Å; H40-I43 VanDerWaalsContact CD2-CD1 3.4Å; H40-I43 WeakPolarHBondContact CD2-CD1 3.31Å; H40-I43 PolarHBondContact O-N 2.97Å; D41-I43 PolarHBondContact O-N 3.31Å; D41-I43 VanDerWaalsContact O-N 3.12Å; I43-L45 HydrophobicContact CD1-CB 4.3Å; I43-L45 HydrophobicContact CD1-CD1 3.92Å; I43-L45 HydrophobicContact CD1-CG 4.34Å; I43-L45 HydrophobicContact CG1-CB 4.1Å; I43-L45 HydrophobicContact CG1-CD1 4.22Å; I43-L45 HydrophobicContact CG1-CG 4.13Å
44N96.1Very high96.8Very high90 Ų9050.3 Ų50.348%0.48126%0.262SS..THydrogen-bonded Turntrans47.854.3-175.3-167.714.9000113.2P25 H40 D41P25-N44 WeakPolarHBondContact CD-O 3.45Å; P25-N44 WeakPolarHBondContact CG-OD1 2.95Å; H40-N44 WeakPolarHBondContact O-CA 3.05Å; H40-N44 PolarHBondContact O-N 3.24Å; D41-N44 PolarHBondContact O-N 3.49Å
45L96.5Very high97Very high19 Ų1948.5 Ų48.510%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-130.5140.8176.8-63.1178.1000112.1P22 Y23 Q24 H40 I43 C47 R62P22-L45 HydrophobicContact CB-CB 4.1Å; P22-L45 HydrophobicContact CB-CD1 4.06Å; P22-L45 HydrophobicContact CG-CD1 3.99Å; Y23-L45 CarbonylContact O-C 3.55Å; Y23-L45 WeakPolarHBondContact O-CA 3.24Å; Q24-L45 HydrophobicContact CG-CD2 3.79Å; H40-L45 PolarHBondContact N-O 3.25Å; H40-L45 PolarHBondContact O-N 2.89Å; I43-L45 HydrophobicContact CD1-CB 4.3Å; I43-L45 HydrophobicContact CD1-CD1 3.92Å; I43-L45 HydrophobicContact CD1-CG 4.34Å; I43-L45 HydrophobicContact CG1-CB 4.1Å; I43-L45 HydrophobicContact CG1-CD1 4.22Å; I43-L45 HydrophobicContact CG1-CG 4.13Å; L45-C47 PolarHBondContact O-SG 2.94Å; L45-R62 HydrophobicContact CD1-CG 4.31Å
46C97.1Very high97.2Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-75.1126.1165-70.10000110.7P22 Y23 C31 Y38P22-C46 VanDerWaalsContact CA-O 3.22Å; P22-C46 WeakPolarHBondContact CA-O 3.45Å; P22-C46 WeakPolarHBondContact CB-O 3.33Å; Y23-C46 HydrophobicContact CD1-CB 4.24Å; Y23-C46 HydrophobicContact CD2-CB 4.28Å; Y23-C46 HydrophobicContact CE1-CB 3.76Å; Y23-C46 HydrophobicContact CE2-CB 3.78Å; Y23-C46 HydrophobicContact CG-CB 4.46Å; Y23-C46 VanDerWaalsContact CZ-CB 3.47Å; Y23-C46 PolarHBondContact N-O 2.99Å; Y23-C46 VanDerWaalsContact N-O 3.1Å; Y23-C46 WeakPolarHBondContact O-CB 3.47Å; Y23-C46 PolarHBondContact O-N 2.83Å; C31-C46 WeakPolarHBondContact CA-SG 3.41Å; C31-C46 HydrophobicContact CB-CB 3.72Å; C31-C46 WeakPolarHBondContact CB-SG 3.01Å; C31-C46 WeakPolarHBondContact SG-CA 3.5Å; C31-C46 WeakPolarHBondContact SG-CB 3.34Å; C31-C46 CovalentContact SG-SG 2.03Å; C31-C46 PolarHBondContact SG-SG 2.81Å; Y38-C46 WeakPolarHBondContact O-CA 3.4Å
47C97.3Very high97.2Very high0 Ų046.9 Ų46.90%023%0.234CC..EExtended strand (participates in β ladder)trans-134.6155.5-171.3-60.40000111.1P22 E37 Y38 L45 C60P22-C47 VanDerWaalsContact CB-SG 3.54Å; E37-C47 CarbonylContact C-O 3.44Å; E37-C47 WeakPolarHBondContact CA-O 3.24Å; Y38-C47 HydrophobicContact CD1-CB 4.16Å; Y38-C47 WeakPolarHBondContact CD1-O 3.48Å; Y38-C47 HydrophobicContact CE1-CB 3.71Å; Y38-C47 PolarHBondContact N-O 3.26Å; Y38-C47 PolarHBondContact O-N 2.69Å; L45-C47 PolarHBondContact O-SG 2.94Å; C47-C60 HydrophobicContact CB-CB 3.53Å; C47-C60 WeakPolarHBondContact CB-SG 3.31Å; C47-C60 WeakPolarHBondContact SG-CB 3.36Å; C47-C60 CovalentContact SG-SG 2.01Å; C47-C60 PolarHBondContact SG-SG 3.25Å
48K97.3Very high97.3Very high84 Ų8451.1 Ų51.137%0.36525%0.254SS..EExtended strand (participates in β ladder)trans-75136.7-173.8-175-178.8167.5-164.10112.4L21 Y38 D65 T66L21-K48 HydrophobicContact CD1-CB 4.27Å; Y38-K48 WeakPolarHBondContact CE1-O 3.37Å; K48-D65 WeakPolarHBondContact CB-OD1 3.28Å; K48-D65 WeakPolarHBondContact CB-OD2 3.38Å; K48-D65 WeakPolarHBondContact CD-OD2 3.4Å; K48-D65 PolarHBondContact N-OD1 2.54Å; K48-T66 PolarHBondContact N-OG1 2.84Å; K48-T66 WeakPolarHBondContact O-CB 3.33Å; K48-T66 WeakPolarHBondContact O-CG2 3.46Å; K48-T66 PolarHBondContact O-OG1 2.65Å
49K98.4Very high97.3Very high32 Ų3255.3 Ų55.314%0.13927%0.274CS..PPolyproline II helixtrans-76.3145.2167.1-71.8174.5173.1157.60110.7L34 K36 E37 Y38 W80 N81 Y82L34-K49 PolarHBondContact O-NZ 2.78Å; K36-K49 WeakPolarHBondContact O-CB 3.34Å; K36-K49 PolarHBondContact O-N 2.77Å; E37-K49 WeakPolarHBondContact O-CE 3.24Å; E37-K49 PolarHBondContact O-NZ 2.88Å; Y38-K49 HydrophobicContact CD1-CG 4.07Å; K49-W80 HydrophobicContact CB-CB 4.27Å; K49-W80 HydrophobicContact CB-CE3 4.13Å; K49-W80 HydrophobicContact CD-CB 4.33Å; K49-W80 WeakPolarHBondContact O-CZ3 3.12Å; K49-N81 CarbonylContact C-O 3.49Å; K49-N81 VanDerWaalsContact CA-O 3.31Å; K49-N81 WeakPolarHBondContact CA-O 3.29Å; K49-N81 WeakPolarHBondContact CB-O 3.48Å; K49-Y82 HydrophobicContact CD-CD1 4.45Å; K49-Y82 HydrophobicContact CG-CD1 4.15Å
50C98.6Very high97.3Very high0 Ų053.1 Ų53.10%026%0.263CS..BIsolated β-bridgetrans-68.5139.9168.2-61.20000110.7Q54 R55 C68 W80 N81C50-Q54 HydrophobicContact CB-CB 4.22Å; C50-Q54 WeakPolarHBondContact CB-O 3.42Å; C50-R55 PolarHBondContact SG-O 2.88Å; C50-C68 WeakPolarHBondContact CA-SG 3.35Å; C50-C68 HydrophobicContact CB-CB 3.75Å; C50-C68 WeakPolarHBondContact CB-SG 3.32Å; C50-C68 WeakPolarHBondContact SG-CB 3.49Å; C50-C68 CovalentContact SG-SG 2.04Å; C50-C68 PolarHBondContact SG-SG 2.86Å; C50-W80 CarbonylContact O-C 3.44Å; C50-W80 VanDerWaalsContact O-CA 3.32Å; C50-W80 WeakPolarHBondContact O-CA 3.31Å; C50-N81 PolarHBondContact N-O 3.31Å; C50-N81 PolarHBondContact O-N 2.81Å; C50-N81 PolarHBondContact O-ND2 3.33Å
51P98.5Very high97.3Very high30 Ų3053.9 Ų53.920%0.19527%0.271CS..PPolyproline II helixtrans-70.1166.1177.631.5-36.7000111.3G53 Q54 W80P51-G53 PolarHBondContact O-N 3.34Å; P51-Q54 HydrophobicContact CG-CB 4.2Å; P51-Q54 HydrophobicContact CG-CG 4.01Å; P51-Q54 PolarHBondContact O-N 2.95Å; P51-W80 HydrophobicContact CB-CD2 4.5Å; P51-W80 HydrophobicContact CB-CE3 4.27Å; P51-W80 HydrophobicContact CB-CH2 3.93Å; P51-W80 HydrophobicContact CB-CZ2 4.15Å; P51-W80 HydrophobicContact CB-CZ3 3.99Å
52P98.7Very high97.2Very high40 Ų4058.2 Ų58.226%0.2628%0.278SS..THydrogen-bonded Turntrans-46.8139.7167.4-28.235.3000112.1Q54 I77 E78 T107P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 3.47Å; P52-I77 CarbonylContact C-O 3.58Å; P52-I77 WeakPolarHBondContact CA-O 3.45Å; P52-E78 WeakPolarHBondContact CG-O 3.33Å; P52-T107 HydrophobicContact CB-CG2 3.94Å
53G98.5Very high97.1Very high6 Ų656.7 Ų56.76%0.06228%0.279CS..THydrogen-bonded Turntrans74.76.9-174.800000116.3P51 P70 C71 I77 P106P51-G53 PolarHBondContact O-N 3.34Å; G53-P70 WeakPolarHBondContact O-CA 3.36Å; G53-C71 PolarHBondContact O-N 2.92Å; G53-I77 PolarHBondContact N-O 3.09Å; G53-P106 WeakPolarHBondContact CA-O 2.99Å
54Q98.8Very high97Very high67 Ų6756.6 Ų56.631%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-129.6136.3171.6-58.6-176.14.100111.7C50 P51 P52 C68 E69 N81C50-Q54 HydrophobicContact CB-CB 4.22Å; C50-Q54 WeakPolarHBondContact CB-O 3.42Å; P51-Q54 HydrophobicContact CG-CB 4.2Å; P51-Q54 HydrophobicContact CG-CG 4.01Å; P51-Q54 PolarHBondContact O-N 2.95Å; P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 3.47Å; Q54-C68 HydrophobicContact CB-CB 4.13Å; Q54-C68 VanDerWaalsContact OE1-CB 3.27Å; Q54-E69 CarbonylContact C-O 3.54Å; Q54-E69 WeakPolarHBondContact CA-O 3.37Å; Q54-E69 WeakPolarHBondContact CB-O 3.33Å; Q54-N81 PolarHBondContact O-ND2 3.24Å
55R98.5Very high97Very high66 Ų6654.3 Ų54.325%0.24927%0.27CS..EExtended strand (participates in β ladder)trans-90.3162.1169.868.4-169.4-164.295.23.4111.1C50 K57 C68 E69 I77 P84C50-R55 PolarHBondContact SG-O 2.88Å; R55-K57 PolarHBondContact O-N 2.04Å; R55-C68 WeakPolarHBondContact O-CA 3.38Å; R55-E69 HydrophobicContact CG-CB 4.36Å; R55-E69 IonicContact CZ-OE2 3.35Å; R55-E69 PolarHBondContact N-O 3.34Å; R55-E69 IonicContact NE-OE2 3.21Å; R55-E69 PolarHBondContact NE-OE2 2.74Å; R55-E69 IonicContact NH2-OE2 2.69Å; R55-E69 PolarHBondContact NH2-OE2 2.75Å; R55-E69 PolarHBondContact O-N 3.03Å; R55-I77 HydrophobicContact CB-CD1 4.24Å; R55-P84 WeakPolarHBondContact CD-O 3.45Å; R55-P84 PolarHBondContact NH1-O 3.41Å
56L98.4Very high97.1Very high10 Ų1054 Ų545%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-63.2127.1163.3178.762.8000110Q58 E59 T66 Y82 T83L56-Q58 WeakPolarHBondContact CD1-O 3.3Å; L56-E59 HydrophobicContact CD1-CG 4.2Å; L56-E59 HydrophobicContact CD2-CG 3.77Å; L56-E59 HydrophobicContact CG-CG 4.39Å; L56-T66 HydrophobicContact CD1-CG2 3.33Å; L56-Y82 VanDerWaalsContact CD2-O 3.24Å; L56-Y82 WeakPolarHBondContact CD2-O 3.44Å; L56-T83 VanDerWaalsContact CB-O 3.31Å; L56-T83 WeakPolarHBondContact CB-O 3.15Å; L56-T83 PolarHBondContact N-O 3.1Å
57K98.4Very high97.1Very high121 Ų12156.9 Ų56.953%0.52629%0.286SS..EExtended strand (participates in β ladder)trans-105.4-40.5172.2179.6174.5-172.4154.30112R55 V67 E69R55-K57 PolarHBondContact O-N 2.04Å; K57-V67 WeakPolarHBondContact CA-O 2.99Å; K57-V67 HydrophobicContact CB-CG1 4.47Å; K57-V67 WeakPolarHBondContact CB-O 3.17Å; K57-V67 HydrophobicContact CD-CG1 4.43Å; K57-V67 PolarHBondContact N-O 3.15Å; K57-E69 HydrophobicContact CB-CB 3.98Å; K57-E69 HydrophobicContact CD-CB 4.1Å; K57-E69 HydrophobicContact CD-CG 4.5Å; K57-E69 WeakPolarHBondContact CD-OE1 3.26Å; K57-E69 WeakPolarHBondContact CE-OE1 3.31Å; K57-E69 IonicContact NZ-OE1 2.68Å; K57-E69 PolarHBondContact NZ-OE1 2.92Å
58Q98Very high97.2Very high113 Ų11358.3 Ų58.353%0.52830%0.296SS..EExtended strand (participates in β ladder)trans-148.6133.4177-171.3-172.4-23.400108.6L56 V67L56-Q58 WeakPolarHBondContact CD1-O 3.3Å; Q58-V67 HydrophobicContact CB-CB 3.93Å; Q58-V67 HydrophobicContact CB-CG2 4.07Å; Q58-V67 PolarHBondContact N-O 3.34Å; Q58-V67 VanDerWaalsContact N-O 3.12Å; Q58-V67 PolarHBondContact O-N 2.87Å
59E97.5Very high97.3Very high100 Ų10057 Ų5747%0.46729%0.291SS..  trans-66.7158.2175.4-69.3162.1155.300111.2L56L56-E59 HydrophobicContact CD1-CG 4.2Å; L56-E59 HydrophobicContact CD2-CG 3.77Å; L56-E59 HydrophobicContact CG-CG 4.39Å
60C96.9Very high97.3Very high5 Ų559.8 Ų59.83%0.03431%0.312CS..  trans-61.9156170.2600000111.5P22 C47 S64P22-C60 HydrophobicContact CB-CB 4.25Å; P22-C60 HydrophobicContact CG-CB 4.27Å; C47-C60 HydrophobicContact CB-CB 3.53Å; C47-C60 WeakPolarHBondContact CB-SG 3.31Å; C47-C60 WeakPolarHBondContact SG-CB 3.36Å; C47-C60 CovalentContact SG-SG 2.01Å; C47-C60 PolarHBondContact SG-SG 3.25Å; C60-S64 CarbonylContact C-O 3.52Å; C60-S64 WeakPolarHBondContact CA-O 3.23Å; C60-S64 WeakPolarHBondContact CB-O 3.4Å
61S95.8Very high97.3Very high40 Ų4060.4 Ų60.428%0.2832%0.316SS..BIsolated β-bridgetrans-130.5176.2172.678.60000109.5P22 S63 S64P22-S61 WeakPolarHBondContact CG-O 3.38Å; S61-S63 PolarHBondContact O-N 3.45Å; S61-S63 PolarHBondContact OG-N 3.04Å; S61-S63 PolarHBondContact OG-OG 3.31Å; S61-S64 PolarHBondContact N-O 3.25Å; S61-S64 PolarHBondContact O-N 3.5Å; S61-S64 VanDerWaalsContact O-O 3.14Å; S61-S64 PolarHBondContact OG-N 3Å; S61-S64 PolarHBondContact OG-OG 2.82Å
62R93.3Very high97.2Very high212 Ų21260.3 Ų60.380%0.832%0.321SS*.THydrogen-bonded Turntrans-58.9-11.1176-65.3-176.4179174.11.8114.7L45L45-R62 HydrophobicContact CD1-CG 4.31Å
63S91.3Very high97.1Very high114 Ų11464.4 Ų64.480%0.79735%0.348SS*.THydrogen-bonded Turntrans-129.21.8179.954.50000114.9S61S61-S63 PolarHBondContact O-N 3.45Å; S61-S63 PolarHBondContact OG-N 3.04Å; S61-S63 PolarHBondContact OG-OG 3.31Å
64S94.2Very high97Very high39 Ų3969.1 Ų69.127%0.27337%0.368SS..BIsolated β-bridgetrans-143.7136.4-17864.30000112.2C60 S61C60-S64 CarbonylContact C-O 3.52Å; C60-S64 WeakPolarHBondContact CA-O 3.23Å; C60-S64 WeakPolarHBondContact CB-O 3.4Å; S61-S64 PolarHBondContact N-O 3.25Å; S61-S64 PolarHBondContact O-N 3.5Å; S61-S64 VanDerWaalsContact O-O 3.14Å; S61-S64 PolarHBondContact OG-N 3Å; S61-S64 PolarHBondContact OG-OG 2.82Å
65D95.6Very high96.9Very high43 Ų4369.1 Ų69.123%0.2337%0.368CS..PPolyproline II helixtrans-74.5169.1168.8-16925.2000110.9L21 K48L21-D65 HydrophobicContact CB-CB 4.07Å; L21-D65 VanDerWaalsContact CB-CG 3.48Å; K48-D65 WeakPolarHBondContact CB-OD1 3.28Å; K48-D65 WeakPolarHBondContact CB-OD2 3.38Å; K48-D65 WeakPolarHBondContact CD-OD2 3.4Å; K48-D65 PolarHBondContact N-OD1 2.54Å
66T97.8Very high96.9Very high13 Ų1367.4 Ų67.48%0.0836%0.362CS..PPolyproline II helixtrans-56.1133-179.5-48.80000113.1Y38 K48 L56Y38-T66 HydrophobicContact CE1-CG2 4.46Å; K48-T66 PolarHBondContact N-OG1 2.84Å; K48-T66 WeakPolarHBondContact O-CB 3.33Å; K48-T66 WeakPolarHBondContact O-CG2 3.46Å; K48-T66 PolarHBondContact O-OG1 2.65Å; L56-T66 HydrophobicContact CD1-CG2 3.33Å
67V98.2Very high96.9Very high60 Ų6067.2 Ų67.236%0.36436%0.361SS..EExtended strand (participates in β ladder)trans-98.3128.4172.2-169.50000109.8K57 Q58K57-V67 WeakPolarHBondContact CA-O 2.99Å; K57-V67 HydrophobicContact CB-CG1 4.47Å; K57-V67 WeakPolarHBondContact CB-O 3.17Å; K57-V67 HydrophobicContact CD-CG1 4.43Å; K57-V67 PolarHBondContact N-O 3.15Å; Q58-V67 HydrophobicContact CB-CB 3.93Å; Q58-V67 HydrophobicContact CB-CG2 4.07Å; Q58-V67 PolarHBondContact N-O 3.34Å; Q58-V67 VanDerWaalsContact N-O 3.12Å; Q58-V67 PolarHBondContact O-N 2.87Å
68C98.6Very high96.9Very high30 Ų3066.1 Ų66.120%0.20336%0.358CS..EExtended strand (participates in β ladder)trans-115.1153.8-177.9-57.70000111.5C50 Q54 R55C50-C68 WeakPolarHBondContact CA-SG 3.35Å; C50-C68 HydrophobicContact CB-CB 3.75Å; C50-C68 WeakPolarHBondContact CB-SG 3.32Å; C50-C68 WeakPolarHBondContact SG-CB 3.49Å; C50-C68 CovalentContact SG-SG 2.04Å; C50-C68 PolarHBondContact SG-SG 2.86Å; Q54-C68 HydrophobicContact CB-CB 4.13Å; Q54-C68 VanDerWaalsContact OE1-CB 3.27Å; R55-C68 WeakPolarHBondContact O-CA 3.38Å
69E98.5Very high96.9Very high56 Ų5665 Ų6526%0.26236%0.359SS..EExtended strand (participates in β ladder)trans-136.4140.8179.6-173.1172.6-99.900110.7Q54 R55 K57Q54-E69 CarbonylContact C-O 3.54Å; Q54-E69 WeakPolarHBondContact CA-O 3.37Å; Q54-E69 WeakPolarHBondContact CB-O 3.33Å; R55-E69 HydrophobicContact CG-CB 4.36Å; R55-E69 IonicContact CZ-OE2 3.35Å; R55-E69 PolarHBondContact N-O 3.34Å; R55-E69 IonicContact NE-OE2 3.21Å; R55-E69 PolarHBondContact NE-OE2 2.74Å; R55-E69 IonicContact NH2-OE2 2.69Å; R55-E69 PolarHBondContact NH2-OE2 2.75Å; R55-E69 PolarHBondContact O-N 3.03Å; K57-E69 HydrophobicContact CB-CB 3.98Å; K57-E69 HydrophobicContact CD-CB 4.1Å; K57-E69 HydrophobicContact CD-CG 4.5Å; K57-E69 WeakPolarHBondContact CD-OE1 3.26Å; K57-E69 WeakPolarHBondContact CE-OE1 3.31Å; K57-E69 IonicContact NZ-OE1 2.68Å; K57-E69 PolarHBondContact NZ-OE1 2.92Å
70P98.6Very high96.9Very high90 Ų9065 Ų6558%0.58436%0.355SS*.EExtended strand (participates in β ladder)trans-54.9147.2175-25.935.5000113.4G53G53-P70 WeakPolarHBondContact O-CA 3.36Å
71C98.5Very high97Very high13 Ų1365.4 Ų65.49%0.08836%0.356CS..  trans-60.5147.8169.1-66.50000111.8G53 Q75 C86 P106G53-C71 PolarHBondContact O-N 2.92Å; C71-Q75 HydrophobicContact CB-CB 4.08Å; C71-C86 WeakPolarHBondContact CA-SG 2.98Å; C71-C86 HydrophobicContact CB-CB 3.78Å; C71-C86 WeakPolarHBondContact CB-SG 3.2Å; C71-C86 WeakPolarHBondContact SG-CB 2.98Å; C71-C86 CovalentContact SG-SG 2.04Å; C71-C86 PolarHBondContact SG-SG 2.93Å; C71-P106 HydrophobicContact CB-CB 4.46Å
72G97.3Very high97.1Very high29 Ų2969.6 Ų69.630%0.29937%0.367SS..  trans-69.2174.1176.100000113.4Q75G72-Q75 VanDerWaalsContact N-OE1 3.16Å; G72-Q75 WeakPolarHBondContact O-CB 3.49Å; G72-Q75 PolarHBondContact O-N 3.16Å
73P96.3Very high97.3Very high125 Ų12562 Ų6281%0.81234%0.344SS*.THydrogen-bonded Turntrans-58.5142.7169.827.6-34.8000110.3Q75P73-Q75 PolarHBondContact O-N 2.87Å
74E96.1Very high97.6Very high105 Ų10559.9 Ų59.949%0.49133%0.328SS..THydrogen-bonded Turntrans59.326.8-175.5-57.2-8092.700114.3C89 K91E74-C89 WeakPolarHBondContact O-CB 3.25Å; E74-C89 PolarHBondContact O-N 2.59Å; E74-C89 PolarHBondContact O-SG 3.45Å; E74-K91 WeakPolarHBondContact OE2-CE 3.42Å; E74-K91 IonicContact OE2-NZ 2.68Å; E74-K91 PolarHBondContact OE2-NZ 2.96Å
75Q98.1Very high97.7Very high68 Ų6863.3 Ų63.332%0.31834%0.343SS..EExtended strand (participates in β ladder)trans-132.1155.4174.1-61.8179.5-19.200113.2C71 G72 P73 C86 L87 C89C71-Q75 HydrophobicContact CB-CB 4.08Å; G72-Q75 VanDerWaalsContact N-OE1 3.16Å; G72-Q75 WeakPolarHBondContact O-CB 3.49Å; G72-Q75 PolarHBondContact O-N 3.16Å; P73-Q75 PolarHBondContact O-N 2.87Å; Q75-C86 HydrophobicContact CB-CB 3.76Å; Q75-C86 HydrophobicContact CG-CB 4.49Å; Q75-L87 CarbonylContact C-O 3.56Å; Q75-L87 WeakPolarHBondContact CA-O 3.24Å; Q75-C89 PolarHBondContact N-SG 3.26Å
76Y98.3Very high97.9Very high30 Ų3061.8 Ų61.812%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-149.8159.7-17976.6-78.8000114E78 L87 T105 P106 N109Y76-E78 HydrophobicContact CD2-CG 3.59Å; Y76-E78 HydrophobicContact CE2-CG 3.65Å; Y76-L87 HydrophobicContact CD1-CB 3.98Å; Y76-L87 WeakPolarHBondContact CD1-O 3.36Å; Y76-L87 HydrophobicContact CE1-CB 3.54Å; Y76-L87 HydrophobicContact CE1-CD1 4.48Å; Y76-L87 HydrophobicContact CE2-CB 4.22Å; Y76-L87 HydrophobicContact CE2-CD1 3.81Å; Y76-L87 HydrophobicContact CG-CB 4.48Å; Y76-L87 PolarHBondContact N-O 3.11Å; Y76-L87 WeakPolarHBondContact O-CB 3.44Å; Y76-L87 PolarHBondContact O-N 2.89Å; Y76-T105 WeakPolarHBondContact CB-O 3.42Å; Y76-P106 CarbonylContact C-O 3.57Å; Y76-P106 WeakPolarHBondContact CA-O 3.33Å; Y76-P106 WeakPolarHBondContact CB-O 3.15Å; Y76-N109 HydrophobicContact CD1-CB 4.23Å; Y76-N109 HydrophobicContact CD2-CB 4.16Å; Y76-N109 HydrophobicContact CE1-CB 3.75Å; Y76-N109 VanDerWaalsContact CE1-CG 3.45Å; Y76-N109 HydrophobicContact CE2-CB 3.67Å; Y76-N109 HydrophobicContact CG-CB 4.43Å; Y76-N109 VanDerWaalsContact CZ-CB 3.46Å; Y76-N109 PolarHBondContact OH-ND2 3.01Å
77I98.4Very high97.9Very high6 Ų665.8 Ų65.83%0.03136%0.356CS..  trans-143.5126.6160-57.6171.8000108.4P52 G53 R55 N81 T83 C86 P106P52-I77 CarbonylContact C-O 3.58Å; P52-I77 WeakPolarHBondContact CA-O 3.45Å; G53-I77 PolarHBondContact N-O 3.09Å; R55-I77 HydrophobicContact CB-CD1 4.24Å; I77-N81 HydrophobicContact CG2-CB 4.15Å; I77-T83 HydrophobicContact CD1-CG2 3.72Å; I77-C86 HydrophobicContact CD1-CB 4.18Å; I77-C86 HydrophobicContact CG1-CB 3.94Å; I77-P106 PolarHBondContact N-O 2.91Å
78E97.5Very high97.8Very high97 Ų9767.4 Ų67.445%0.45337%0.37SS..  trans-89-13.8-174.8-45.5-164.5152.800113.9P52 Y76 T107 T108 N109P52-E78 WeakPolarHBondContact CG-O 3.33Å; Y76-E78 HydrophobicContact CD2-CG 3.59Å; Y76-E78 HydrophobicContact CE2-CG 3.65Å; E78-T107 WeakPolarHBondContact CA-O 3.2Å; E78-T107 WeakPolarHBondContact CG-O 3.34Å; E78-T108 WeakPolarHBondContact OE1-CA 3.22Å; E78-N109 PolarHBondContact OE1-N 2.97Å
79T97.8Very high97.7Very high91 Ų9166.5 Ų66.556%0.55836%0.364SS*.SBendtrans-124.6163-169.154.70000113.8N81T79-N81 PolarHBondContact O-N 2.88Å; T79-N81 PolarHBondContact O-ND2 2.86Å
80W98.5Very high97.4Very high100 Ų10066.3 Ų66.338%0.37937%0.367SS..  trans-67.1122.7167.6-73.986.4000109.7T35 K36 K49 C50 P51T35-W80 VanDerWaalsContact O-CB 3.24Å; T35-W80 WeakPolarHBondContact O-CB 3.45Å; K36-W80 HydrophobicContact CB-CD2 4.32Å; K36-W80 HydrophobicContact CB-CE3 4.02Å; K36-W80 HydrophobicContact CB-CZ3 4.2Å; K36-W80 HydrophobicContact CD-CH2 4.05Å; K36-W80 HydrophobicContact CD-CZ2 3.92Å; K36-W80 HydrophobicContact CD-CZ3 4.41Å; K36-W80 HydrophobicContact CG-CD2 3.81Å; K36-W80 HydrophobicContact CG-CE3 3.97Å; K36-W80 HydrophobicContact CG-CG 4.32Å; K36-W80 HydrophobicContact CG-CH2 4.26Å; K36-W80 HydrophobicContact CG-CZ2 4.11Å; K36-W80 HydrophobicContact CG-CZ3 4.19Å; K49-W80 HydrophobicContact CB-CB 4.27Å; K49-W80 HydrophobicContact CB-CE3 4.13Å; K49-W80 HydrophobicContact CD-CB 4.33Å; K49-W80 WeakPolarHBondContact O-CZ3 3.12Å; C50-W80 CarbonylContact O-C 3.44Å; C50-W80 VanDerWaalsContact O-CA 3.32Å; C50-W80 WeakPolarHBondContact O-CA 3.31Å; P51-W80 HydrophobicContact CB-CD2 4.5Å; P51-W80 HydrophobicContact CB-CE3 4.27Å; P51-W80 HydrophobicContact CB-CH2 3.93Å; P51-W80 HydrophobicContact CB-CZ2 4.15Å; P51-W80 HydrophobicContact CB-CZ3 3.99Å
81N98.3Very high97Very high12 Ų1268 Ų686%0.06437%0.365CS..BIsolated β-bridgetrans-143.1172.1-162.177.787.9000112.9K49 C50 Q54 I77 T79 T83K49-N81 CarbonylContact C-O 3.49Å; K49-N81 VanDerWaalsContact CA-O 3.31Å; K49-N81 WeakPolarHBondContact CA-O 3.29Å; K49-N81 WeakPolarHBondContact CB-O 3.48Å; C50-N81 PolarHBondContact N-O 3.31Å; C50-N81 PolarHBondContact O-N 2.81Å; C50-N81 PolarHBondContact O-ND2 3.33Å; Q54-N81 PolarHBondContact O-ND2 3.24Å; I77-N81 HydrophobicContact CG2-CB 4.15Å; T79-N81 PolarHBondContact O-N 2.88Å; T79-N81 PolarHBondContact O-ND2 2.86Å; N81-T83 HydrophobicContact CB-CG2 4.08Å; N81-T83 VanDerWaalsContact OD1-CG2 3.25Å; N81-T83 WeakPolarHBondContact OD1-CG2 3.15Å; N81-T83 PolarHBondContact OD1-N 3.44Å; N81-T83 VanDerWaalsContact OD1-N 3.13Å
82Y97.4Very high96.6Very high128 Ų12868.4 Ų68.450%0.50237%0.367SS..  trans-141.335.117053.5-79.3000109.7Y38 K49 L56Y38-Y82 HydrophobicContact CD1-CD1 4.37Å; Y38-Y82 HydrophobicContact CD1-CG 4.16Å; Y38-Y82 HydrophobicContact CD2-CD1 4.49Å; Y38-Y82 AromaticContact CD2-CD2 3.97Å; Y38-Y82 HydrophobicContact CD2-CD2 3.97Å; Y38-Y82 HydrophobicContact CD2-CE2 4.35Å; Y38-Y82 HydrophobicContact CD2-CG 4.04Å; Y38-Y82 HydrophobicContact CE2-CD2 4.27Å; Y38-Y82 HydrophobicContact CE2-CG 4.44Å; Y38-Y82 HydrophobicContact CG-CD1 4.01Å; Y38-Y82 HydrophobicContact CG-CD2 4.29Å; Y38-Y82 AromaticContact CG-CG 3.91Å; Y38-Y82 HydrophobicContact CG-CG 3.91Å; K49-Y82 HydrophobicContact CD-CD1 4.45Å; K49-Y82 HydrophobicContact CG-CD1 4.15Å; L56-Y82 VanDerWaalsContact CD2-O 3.24Å; L56-Y82 WeakPolarHBondContact CD2-O 3.44Å
83T97.4Very high96.3Very high53 Ų5372.8 Ų72.833%0.32538%0.378SS..  trans-85.5136.1176.7164.30000110.2L56 I77 N81 N85L56-T83 VanDerWaalsContact CB-O 3.31Å; L56-T83 WeakPolarHBondContact CB-O 3.15Å; L56-T83 PolarHBondContact N-O 3.1Å; I77-T83 HydrophobicContact CD1-CG2 3.72Å; N81-T83 HydrophobicContact CB-CG2 4.08Å; N81-T83 VanDerWaalsContact OD1-CG2 3.25Å; N81-T83 WeakPolarHBondContact OD1-CG2 3.15Å; N81-T83 PolarHBondContact OD1-N 3.44Å; N81-T83 VanDerWaalsContact OD1-N 3.13Å; T83-N85 VanDerWaalsContact CG2-O 3.24Å; T83-N85 WeakPolarHBondContact CG2-O 3.03Å; T83-N85 PolarHBondContact O-N 3Å; T83-N85 PolarHBondContact OG1-N 3.5Å; T83-N85 PolarHBondContact OG1-O 2.79Å
84P97.5Very high96Very high70 Ų7070 Ų7046%0.45537%0.366SS..SBendtrans-67-15.9173.828.5-35.2000112.9R55R55-P84 WeakPolarHBondContact CD-O 3.45Å; R55-P84 PolarHBondContact NH1-O 3.41Å
85N98Very high95.6Very high110 Ų11073.7 Ų73.759%0.58838%0.38SS*.SBendtrans-123.3140-175.2-65.2-56.7000112.2T83T83-N85 VanDerWaalsContact CG2-O 3.24Å; T83-N85 WeakPolarHBondContact CG2-O 3.03Å; T83-N85 PolarHBondContact O-N 3Å; T83-N85 PolarHBondContact OG1-N 3.5Å; T83-N85 PolarHBondContact OG1-O 2.79Å
86C98.4Very high95.2Very high12 Ų1272.3 Ų72.38%0.08138%0.375CS..PPolyproline II helixtrans-82.3156.2165.9-63.30000111.5C71 Q75 I77C71-C86 WeakPolarHBondContact CA-SG 2.98Å; C71-C86 HydrophobicContact CB-CB 3.78Å; C71-C86 WeakPolarHBondContact CB-SG 3.2Å; C71-C86 WeakPolarHBondContact SG-CB 2.98Å; C71-C86 CovalentContact SG-SG 2.04Å; C71-C86 PolarHBondContact SG-SG 2.93Å; Q75-C86 HydrophobicContact CB-CB 3.76Å; Q75-C86 HydrophobicContact CG-CB 4.49Å; I77-C86 HydrophobicContact CD1-CB 4.18Å; I77-C86 HydrophobicContact CG1-CB 3.94Å
87L97.9Very high94.8Very high97 Ų9771.7 Ų71.751%0.50838%0.377SS..EExtended strand (participates in β ladder)trans-76.6142.6175.8-57.3175.2000110.2Q75 Y76Q75-L87 CarbonylContact C-O 3.56Å; Q75-L87 WeakPolarHBondContact CA-O 3.24Å; Y76-L87 HydrophobicContact CD1-CB 3.98Å; Y76-L87 WeakPolarHBondContact CD1-O 3.36Å; Y76-L87 HydrophobicContact CE1-CB 3.54Å; Y76-L87 HydrophobicContact CE1-CD1 4.48Å; Y76-L87 HydrophobicContact CE2-CB 4.22Å; Y76-L87 HydrophobicContact CE2-CD1 3.81Å; Y76-L87 HydrophobicContact CG-CB 4.48Å; Y76-L87 PolarHBondContact N-O 3.11Å; Y76-L87 WeakPolarHBondContact O-CB 3.44Å; Y76-L87 PolarHBondContact O-N 2.89Å
88S97.5Very high94.4Very high94 Ų9471.9 Ų71.966%0.65738%0.378SS*.EExtended strand (participates in β ladder)trans-76.6132.8175.8-66.20000111.4
89C95.3Very high94Very high10 Ų1070.8 Ų70.87%0.06837%0.373CS..PPolyproline II helixtrans-61.1139178.1-66.80000113.1E74 Q75 K91 C104E74-C89 WeakPolarHBondContact O-CB 3.25Å; E74-C89 PolarHBondContact O-N 2.59Å; E74-C89 PolarHBondContact O-SG 3.45Å; Q75-C89 PolarHBondContact N-SG 3.26Å; C89-K91 PolarHBondContact O-N 2.77Å; C89-C104 HydrophobicContact CB-CB 3.6Å; C89-C104 WeakPolarHBondContact CB-SG 3.49Å; C89-C104 WeakPolarHBondContact SG-CB 3.14Å; C89-C104 CovalentContact SG-SG 2.02Å; C89-C104 PolarHBondContact SG-SG 2.74Å
90T91.6Very high93.6Very high52 Ų5270.4 Ų70.432%0.31937%0.368SS..PPolyproline II helixtrans-62.8129.2170.3-620000110.4N109 A110T90-N109 PolarHBondContact N-OD1 3.45Å; T90-N109 PolarHBondContact OG1-ND2 2.99Å; T90-N109 PolarHBondContact OG1-OD1 3.31Å; T90-A110 VanDerWaalsContact O-CB 3.3Å; T90-A110 WeakPolarHBondContact O-CB 3.36Å
91K91.1Very high93.1Very high126 Ų12671.4 Ų71.455%0.54838%0.381SS..  trans-104.1108.1-179.9-57.3-162.6-175-144.40111E74 C89 K93E74-K91 WeakPolarHBondContact OE2-CE 3.42Å; E74-K91 IonicContact OE2-NZ 2.68Å; E74-K91 PolarHBondContact OE2-NZ 2.96Å; C89-K91 PolarHBondContact O-N 2.77Å; K91-K93 PolarHBondContact O-N 3.18Å
92C89.9Confident92.7Very high21 Ų2173.9 Ų73.914%0.14239%0.392CS..  trans-69.198.7180-52.70000110.7A94 L98 N100 C112C92-A94 PolarHBondContact O-N 3.17Å; C92-A94 VanDerWaalsContact O-N 3.1Å; C92-L98 HydrophobicContact CB-CB 4.25Å; C92-N100 VanDerWaalsContact CB-OD1 3.31Å; C92-N100 WeakPolarHBondContact CB-OD1 3.42Å; C92-N100 PolarHBondContact SG-OD1 2.86Å; C92-N100 VanDerWaalsContact SG-OD1 3.33Å; C92-C112 WeakPolarHBondContact CA-SG 3.02Å; C92-C112 HydrophobicContact CB-CB 3.82Å; C92-C112 WeakPolarHBondContact CB-SG 3.28Å; C92-C112 WeakPolarHBondContact SG-CA 3.39Å; C92-C112 WeakPolarHBondContact SG-CB 3.08Å; C92-C112 CovalentContact SG-SG 2.04Å; C92-C112 PolarHBondContact SG-SG 2.8Å
93K90.8Very high92.5Very high122 Ų12272.2 Ų72.253%0.5340%0.395SS..  trans-72.8104.9-173.7-73.2159.8-172.4168.40110K91 K95 N96 L98K91-K93 PolarHBondContact O-N 3.18Å; K93-K95 HydrophobicContact CB-CG 4.27Å; K93-K95 PolarHBondContact O-N 2.03Å; K93-N96 HydrophobicContact CB-CB 4.14Å; K93-N96 WeakPolarHBondContact O-CA 3.24Å; K93-N96 WeakPolarHBondContact O-CB 3.17Å; K93-N96 PolarHBondContact O-N 2.74Å; K93-L98 PolarHBondContact O-N 3.47Å
94A89.5Confident92.4Very high66 Ų6670.7 Ų70.755%0.54539%0.386SS..G310 helixtrans-53.5-28.9177.500000114.1C92 N96 G97 K115C92-A94 PolarHBondContact O-N 3.17Å; C92-A94 VanDerWaalsContact O-N 3.1Å; A94-N96 VanDerWaalsContact C-N 3.32Å; A94-G97 PolarHBondContact O-N 2.86Å; A94-K115 PolarHBondContact O-NZ 3.22Å
95K89.2Confident92.3Very high182 Ų18270 Ų7079%0.79138%0.381SS*.G310 helixtrans-72.2-16.1174.265.8165.3-172.5172.20115.1K93 G97K93-K95 HydrophobicContact CB-CG 4.27Å; K93-K95 PolarHBondContact O-N 2.03Å; K95-G97 VanDerWaalsContact C-N 3.33Å
96N88.6Confident92.3Very high40 Ų4068 Ų6821%0.21437%0.374CS..G310 helixtrans-93.510.1173-68.641000111.6K93 A94 L98 T130 Y131 C132K93-N96 HydrophobicContact CB-CB 4.14Å; K93-N96 WeakPolarHBondContact O-CA 3.24Å; K93-N96 WeakPolarHBondContact O-CB 3.17Å; K93-N96 PolarHBondContact O-N 2.74Å; A94-N96 VanDerWaalsContact C-N 3.32Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 HydrophobicContact CB-CD1 4Å; N96-L98 HydrophobicContact CB-CG 4.19Å; N96-L98 PolarHBondContact O-N 2.84Å; N96-T130 PolarHBondContact ND2-O 3.28Å; N96-Y131 HydrophobicContact CB-CD2 4.29Å; N96-C132 PolarHBondContact O-N 3.1Å
97G89.6Confident92.3Very high16 Ų1670.5 Ų70.517%0.16539%0.389CS..THydrogen-bonded Turntrans77.36.7-173.800000115A94 K95 K115A94-G97 PolarHBondContact O-N 2.86Å; K95-G97 VanDerWaalsContact C-N 3.33Å; G97-K115 WeakPolarHBondContact O-CB 3.07Å; G97-K115 WeakPolarHBondContact O-CD 3.38Å; G97-K115 VanDerWaalsContact O-CG 3.24Å; G97-K115 WeakPolarHBondContact O-CG 3.4Å; G97-K115 PolarHBondContact O-N 3.45Å
98L90.4Very high92.1Very high10 Ų1067.6 Ų67.65%0.05238%0.375CS..EExtended strand (participates in β ladder)trans-87.5150.2-175.1-63.2167000113.6C92 K93 N96 C112 V113 K115 C129 C132C92-L98 HydrophobicContact CB-CB 4.25Å; K93-L98 PolarHBondContact O-N 3.47Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 HydrophobicContact CB-CD1 4Å; N96-L98 HydrophobicContact CB-CG 4.19Å; N96-L98 PolarHBondContact O-N 2.84Å; L98-C112 HydrophobicContact CB-CB 4.47Å; L98-C112 HydrophobicContact CD1-CB 4.39Å; L98-C112 HydrophobicContact CD2-CB 4.15Å; L98-V113 CarbonylContact C-O 3.56Å; L98-V113 WeakPolarHBondContact CA-O 3.01Å; L98-K115 VanDerWaalsContact O-CE 3.24Å; L98-K115 WeakPolarHBondContact O-CE 3.31Å; L98-C129 WeakPolarHBondContact CD1-O 3.48Å; L98-C129 HydrophobicContact CD2-CB 3.99Å; L98-C129 WeakPolarHBondContact CD2-O 3.35Å; L98-C132 WeakPolarHBondContact CD2-SG 3.4Å
99E90.1Very high92Very high75 Ų7563.7 Ų63.735%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-136.2161.2167.562.9-172.4177.200111.7N101 C112 V113 K115E99-N101 PolarHBondContact O-N 3.24Å; E99-C112 WeakPolarHBondContact O-CA 3.37Å; E99-V113 HydrophobicContact CG-CG2 4.03Å; E99-V113 PolarHBondContact N-O 2.85Å; E99-V113 PolarHBondContact O-N 2.84Å; E99-K115 HydrophobicContact CB-CG 3.93Å; E99-K115 HydrophobicContact CG-CG 3.83Å
100N89.1Confident91.9Very high83 Ų8363.3 Ų63.344%0.44435%0.345SS..EExtended strand (participates in β ladder)trans-74.7121.6177.7-69.125.6000110.1C92 T103C92-N100 VanDerWaalsContact CB-OD1 3.31Å; C92-N100 WeakPolarHBondContact CB-OD1 3.42Å; C92-N100 PolarHBondContact SG-OD1 2.86Å; C92-N100 VanDerWaalsContact SG-OD1 3.33Å; N100-T103 PolarHBondContact ND2-OG1 2.85Å; N100-T103 VanDerWaalsContact ND2-OG1 3.17Å
101N87.8Confident91.7Very high121 Ų12164.5 Ų64.565%0.64735%0.345SS*.EExtended strand (participates in β ladder)trans-85.6-40161.2-176.233.6000110.7E99 K111 V113E99-N101 PolarHBondContact O-N 3.24Å; N101-K111 PolarHBondContact N-O 3.13Å; N101-V113 HydrophobicContact CB-CB 4.33Å; N101-V113 HydrophobicContact CB-CG1 3.62Å; N101-V113 HydrophobicContact CB-CG2 3.82Å
102Q89.3Confident91.6Very high63 Ų6358.6 Ų58.629%0.29432%0.32SS..EExtended strand (participates in β ladder)trans-127.8131.5170.6179.4176-7.400108T108 A110 K111Q102-T108 VanDerWaalsContact NE2-CB 3.32Å; Q102-T108 PolarHBondContact NE2-OG1 3.36Å; Q102-T108 VanDerWaalsContact NE2-OG1 3.16Å; Q102-A110 CarbonylContact O-C 3.47Å; Q102-A110 VanDerWaalsContact O-CA 3.26Å; Q102-A110 WeakPolarHBondContact O-CA 2.99Å; Q102-K111 HydrophobicContact CB-CB 3.87Å; Q102-K111 HydrophobicContact CB-CD 4.4Å; Q102-K111 HydrophobicContact CB-CG 3.9Å; Q102-K111 HydrophobicContact CG-CG 4.48Å; Q102-K111 PolarHBondContact N-O 3.35Å; Q102-K111 PolarHBondContact O-N 2.96Å; Q102-K111 VanDerWaalsContact OE1-CD 3.23Å
103T92.6Very high91.5Very high93 Ų9358.9 Ų58.957%0.57132%0.321SS*.  trans-83.5148.9172.3-63.30000109.7N100N100-T103 PolarHBondContact ND2-OG1 2.85Å; N100-T103 VanDerWaalsContact ND2-OG1 3.17Å
104C95.4Very high91.4Very high21 Ų2153.2 Ų53.214%0.14230%0.297CS..  trans-64.1147.5178.2-151.70000111.3C89 T108 A110C89-C104 HydrophobicContact CB-CB 3.6Å; C89-C104 WeakPolarHBondContact CB-SG 3.49Å; C89-C104 WeakPolarHBondContact SG-CB 3.14Å; C89-C104 CovalentContact SG-SG 2.02Å; C89-C104 PolarHBondContact SG-SG 2.74Å; C104-T108 WeakPolarHBondContact CA-O 3.49Å; C104-T108 PolarHBondContact SG-O 2.87Å; C104-A110 HydrophobicContact CB-CB 3.98Å
105T96.7Very high91.4Very high56 Ų5653.4 Ų53.434%0.34429%0.286SS..BIsolated β-bridgetrans-137.5164.4169.777.10000107.8Y76 T107 T108Y76-T105 WeakPolarHBondContact CB-O 3.42Å; T105-T107 PolarHBondContact O-N 2.84Å; T105-T107 PolarHBondContact OG1-N 3.46Å; T105-T107 PolarHBondContact OG1-OG1 3.05Å; T105-T108 PolarHBondContact N-O 2.02Å; T105-T108 PolarHBondContact O-N 3.06Å; T105-T108 PolarHBondContact OG1-N 3.4Å; T105-T108 PolarHBondContact OG1-OG1 3.42Å
106P97.6Very high91.4Very high67 Ų6753.5 Ų53.544%0.43528%0.281SS..THydrogen-bonded Turntrans-52.6-28.2175.5-28.436.7000113.6G53 C71 Y76 I77G53-P106 WeakPolarHBondContact CA-O 2.99Å; C71-P106 HydrophobicContact CB-CB 4.46Å; Y76-P106 CarbonylContact C-O 3.57Å; Y76-P106 WeakPolarHBondContact CA-O 3.33Å; Y76-P106 WeakPolarHBondContact CB-O 3.15Å; I77-P106 PolarHBondContact N-O 2.91Å
107T97.7Very high91.5Very high66 Ų6653.3 Ų53.341%0.40529%0.289SS..THydrogen-bonded Turntrans-100.7-3.1-178.854.80000114.8P52 E78 T105P52-T107 HydrophobicContact CB-CG2 3.94Å; E78-T107 WeakPolarHBondContact CA-O 3.2Å; E78-T107 WeakPolarHBondContact CG-O 3.34Å; T105-T107 PolarHBondContact O-N 2.84Å; T105-T107 PolarHBondContact OG1-N 3.46Å; T105-T107 PolarHBondContact OG1-OG1 3.05Å
108T95.3Very high91.6Very high36 Ų3653.4 Ų53.422%0.22129%0.286CS..BIsolated β-bridgetrans-151135.8-175.966.70000113.3E78 Q102 C104 T105E78-T108 WeakPolarHBondContact OE1-CA 3.22Å; Q102-T108 VanDerWaalsContact NE2-CB 3.32Å; Q102-T108 PolarHBondContact NE2-OG1 3.36Å; Q102-T108 VanDerWaalsContact NE2-OG1 3.16Å; C104-T108 WeakPolarHBondContact CA-O 3.49Å; C104-T108 PolarHBondContact SG-O 2.87Å; T105-T108 PolarHBondContact N-O 2.02Å; T105-T108 PolarHBondContact O-N 3.06Å; T105-T108 PolarHBondContact OG1-N 3.4Å; T105-T108 PolarHBondContact OG1-OG1 3.42Å
109N95Very high91.6Very high11 Ų1153.8 Ų53.86%0.05929%0.287CS..  trans-63.9157.6171.4-157.9-0.6000112.6Y76 E78 T90Y76-N109 HydrophobicContact CD1-CB 4.23Å; Y76-N109 HydrophobicContact CD2-CB 4.16Å; Y76-N109 HydrophobicContact CE1-CB 3.75Å; Y76-N109 VanDerWaalsContact CE1-CG 3.45Å; Y76-N109 HydrophobicContact CE2-CB 3.67Å; Y76-N109 HydrophobicContact CG-CB 4.43Å; Y76-N109 VanDerWaalsContact CZ-CB 3.46Å; Y76-N109 PolarHBondContact OH-ND2 3.01Å; E78-N109 PolarHBondContact OE1-N 2.97Å; T90-N109 PolarHBondContact N-OD1 3.45Å; T90-N109 PolarHBondContact OG1-ND2 2.99Å; T90-N109 PolarHBondContact OG1-OD1 3.31Å
110A91.8Very high91.5Very high3 Ų350.3 Ų50.33%0.02527%0.271CS..  trans-70.4147.2164.500000111.1T90 Q102 C104T90-A110 VanDerWaalsContact O-CB 3.3Å; T90-A110 WeakPolarHBondContact O-CB 3.36Å; Q102-A110 CarbonylContact O-C 3.47Å; Q102-A110 VanDerWaalsContact O-CA 3.26Å; Q102-A110 WeakPolarHBondContact O-CA 2.99Å; C104-A110 HydrophobicContact CB-CB 3.98Å
111K88.8Confident90.9Very high76 Ų7648.9 Ų48.933%0.3326%0.264SS..EExtended strand (participates in β ladder)trans-121.6122.1177.8-54-165.1176.6-177.30109.9N101 Q102 Y128N101-K111 PolarHBondContact N-O 3.13Å; Q102-K111 HydrophobicContact CB-CB 3.87Å; Q102-K111 HydrophobicContact CB-CD 4.4Å; Q102-K111 HydrophobicContact CB-CG 3.9Å; Q102-K111 HydrophobicContact CG-CG 4.48Å; Q102-K111 PolarHBondContact N-O 3.35Å; Q102-K111 PolarHBondContact O-N 2.96Å; Q102-K111 VanDerWaalsContact OE1-CD 3.23Å; K111-Y128 HydrophobicContact CB-CD1 4.06Å; K111-Y128 HydrophobicContact CB-CE1 3.51Å; K111-Y128 HydrophobicContact CD-CE1 3.84Å; K111-Y128 WeakPolarHBondContact CE-OH 2.94Å; K111-Y128 HydrophobicContact CG-CD1 4.44Å; K111-Y128 HydrophobicContact CG-CE1 3.44Å; K111-Y128 VanDerWaalsContact CG-CE1 3.44Å
112C88.4Confident90.2Very high3 Ų349.1 Ų49.12%0.0226%0.264CS..EExtended strand (participates in β ladder)trans-98.9138.6-175.5-51.80000112C92 L98 E99C92-C112 WeakPolarHBondContact CA-SG 3.02Å; C92-C112 HydrophobicContact CB-CB 3.82Å; C92-C112 WeakPolarHBondContact CB-SG 3.28Å; C92-C112 WeakPolarHBondContact SG-CA 3.39Å; C92-C112 WeakPolarHBondContact SG-CB 3.08Å; C92-C112 CovalentContact SG-SG 2.04Å; C92-C112 PolarHBondContact SG-SG 2.8Å; L98-C112 HydrophobicContact CB-CB 4.47Å; L98-C112 HydrophobicContact CD1-CB 4.39Å; L98-C112 HydrophobicContact CD2-CB 4.15Å; E99-C112 WeakPolarHBondContact O-CA 3.37Å
113V87.1Confident89Confident26 Ų2647.4 Ų47.416%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-130.2162.8173.8-660000110.8L98 E99 N101L98-V113 CarbonylContact C-O 3.56Å; L98-V113 WeakPolarHBondContact CA-O 3.01Å; E99-V113 HydrophobicContact CG-CG2 4.03Å; E99-V113 PolarHBondContact N-O 2.85Å; E99-V113 PolarHBondContact O-N 2.84Å; N101-V113 HydrophobicContact CB-CB 4.33Å; N101-V113 HydrophobicContact CB-CG1 3.62Å; N101-V113 HydrophobicContact CB-CG2 3.82Å
114C89.7Confident87.6Confident3 Ų345.9 Ų45.92%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-73.8134.4174.3-66.80000111.9T118 C120 C129 C132C114-T118 WeakPolarHBondContact CB-OG1 3.42Å; C114-C120 PolarHBondContact SG-N 3.07Å; C114-C120 VanDerWaalsContact SG-N 3.37Å; C114-C129 PolarHBondContact SG-SG 3.36Å; C114-C132 WeakPolarHBondContact CA-SG 3.42Å; C114-C132 HydrophobicContact CB-CB 3.73Å; C114-C132 WeakPolarHBondContact CB-SG 3.14Å; C114-C132 WeakPolarHBondContact SG-CB 3.43Å; C114-C132 CovalentContact SG-SG 2.04Å; C114-C132 PolarHBondContact SG-SG 3.01Å
115K90.1Very high86Confident71 Ų7152.3 Ų52.331%0.30928%0.282SS..PPolyproline II helixtrans-58150.5175.1-76.9169.1176.8172.80111.8A94 G97 L98 E99 G117 T118A94-K115 PolarHBondContact O-NZ 3.22Å; G97-K115 WeakPolarHBondContact O-CB 3.07Å; G97-K115 WeakPolarHBondContact O-CD 3.38Å; G97-K115 VanDerWaalsContact O-CG 3.24Å; G97-K115 WeakPolarHBondContact O-CG 3.4Å; G97-K115 PolarHBondContact O-N 3.45Å; L98-K115 VanDerWaalsContact O-CE 3.24Å; L98-K115 WeakPolarHBondContact O-CE 3.31Å; E99-K115 HydrophobicContact CB-CG 3.93Å; E99-K115 HydrophobicContact CG-CG 3.83Å; K115-G117 PolarHBondContact O-N 2.91Å; K115-T118 PolarHBondContact N-OG1 3.31Å; K115-T118 WeakPolarHBondContact O-CB 3.03Å; K115-T118 PolarHBondContact O-N 3.12Å; K115-T118 PolarHBondContact O-OG1 3.32Å
116R89Confident83.7Confident183 Ų18356.3 Ų56.369%0.69130%0.301SS*.THydrogen-bonded Turntrans-46.5129.1170.3-74.9-175.7170.979.7-2.7111.2
117G90.3Very high81.8Confident37 Ų3756.5 Ų56.538%0.38130%0.302SS..THydrogen-bonded Turntrans910.7-174.700000114.9K115 S134 Y135K115-G117 PolarHBondContact O-N 2.91Å; G117-S134 WeakPolarHBondContact O-CA 3.36Å; G117-Y135 VanDerWaalsContact C-CD2 3.46Å; G117-Y135 WeakPolarHBondContact O-CD2 3.21Å; G117-Y135 PolarHBondContact O-N 2.68Å
118T92.1Very high80.4Confident18 Ų1855.9 Ų55.911%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-131.5156.9179.172.50000112C114 K115 R133C114-T118 WeakPolarHBondContact CB-OG1 3.42Å; K115-T118 PolarHBondContact N-OG1 3.31Å; K115-T118 WeakPolarHBondContact O-CB 3.03Å; K115-T118 PolarHBondContact O-N 3.12Å; K115-T118 PolarHBondContact O-OG1 3.32Å; T118-R133 CarbonylContact C-O 3.47Å; T118-R133 WeakPolarHBondContact CA-O 3.47Å; T118-R133 VanDerWaalsContact CB-O 3.24Å; T118-R133 WeakPolarHBondContact CB-O 3.32Å
119F89.3Confident79.6Confident17 Ų1754.4 Ų54.48%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-131.2159.317771.3-75.8000111D121 C132 R133 Y135 T149 N153F119-D121 PolarHBondContact O-N 3.24Å; F119-C132 CarbonylContact O-C 3.51Å; F119-C132 WeakPolarHBondContact O-CA 3.42Å; F119-R133 HydrophobicContact CD1-CB 4.37Å; F119-R133 VanDerWaalsContact CD1-O 3.22Å; F119-R133 WeakPolarHBondContact CD1-O 3.02Å; F119-R133 HydrophobicContact CE1-CB 3.73Å; F119-R133 HydrophobicContact CZ-CB 3.98Å; F119-R133 PolarHBondContact N-O 2.01Å; F119-R133 PolarHBondContact O-N 3.4Å; F119-Y135 HydrophobicContact CB-CD1 4.27Å; F119-Y135 HydrophobicContact CB-CE1 3.8Å; F119-Y135 AromaticContact CD1-CD1 3.86Å; F119-Y135 HydrophobicContact CD1-CD1 3.86Å; F119-Y135 HydrophobicContact CD1-CE1 4.27Å; F119-Y135 HydrophobicContact CG-CD1 4.44Å; F119-Y135 HydrophobicContact CG-CE1 4.42Å; F119-T149 WeakPolarHBondContact CB-O 3.45Å; F119-N153 HydrophobicContact CD1-CB 4.13Å; F119-N153 HydrophobicContact CE1-CB 3.64Å; F119-N153 HydrophobicContact CE2-CB 4.09Å; F119-N153 HydrophobicContact CZ-CB 3.63Å
120C89.3Confident78.7Confident3 Ų358.3 Ų58.32%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-77.3122.6174.6-156.80000111C114 L122 G123 C129 L150C114-C120 PolarHBondContact SG-N 3.07Å; C114-C120 VanDerWaalsContact SG-N 3.37Å; C120-L122 VanDerWaalsContact C-N 3.32Å; C120-L122 PolarHBondContact O-N 3.34Å; C120-G123 PolarHBondContact SG-O 3.36Å; C120-C129 WeakPolarHBondContact CA-SG 3.5Å; C120-C129 HydrophobicContact CB-CB 3.73Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 WeakPolarHBondContact SG-CA 3.36Å; C120-C129 WeakPolarHBondContact SG-CB 3.45Å; C120-C129 CovalentContact SG-SG 2.02Å; C120-C129 PolarHBondContact SG-SG 3.1Å; C120-L150 PolarHBondContact N-O 3.49Å
121D75.4Confident78.4Confident53 Ų5363.8 Ų63.828%0.28333%0.329SS..THydrogen-bonded Turntrans-72.2-26.7-172.5-16352.1000113.6F119 Y131 R133F119-D121 PolarHBondContact O-N 3.24Å; D121-Y131 PolarHBondContact N-O 3.46Å; D121-R133 HydrophobicContact CB-CG 4.14Å; D121-R133 WeakPolarHBondContact OD1-CD 3.38Å; D121-R133 IonicContact OD1-CZ 3.72Å; D121-R133 IonicContact OD1-NE 3.58Å; D121-R133 PolarHBondContact OD1-NE 3.44Å; D121-R133 IonicContact OD1-NH2 3.17Å; D121-R133 IonicContact OD2-CZ 2.71Å; D121-R133 IonicContact OD2-NE 3.67Å; D121-R133 PolarHBondContact OD2-NE 3.44Å; D121-R133 IonicContact OD2-NH2 2.78Å; D121-R133 PolarHBondContact OD2-NH2 2.92Å
122L73.1Confident78.5Confident126 Ų12660.5 Ų60.566%0.6632%0.316SS*.THydrogen-bonded Turntrans-116.414.4-175-56.6176.4000112.4C120C120-L122 VanDerWaalsContact C-N 3.32Å; C120-L122 PolarHBondContact O-N 3.34Å
123G63.8Low78.7Confident26 Ų2666.5 Ų66.527%0.26834%0.338SS..  trans70.9-170.6-175.100000114.7C120C120-G123 PolarHBondContact SG-O 3.36Å
124F64.1Low79Confident62 Ų6269.6 Ų69.627%0.27236%0.361SS..  trans-107.257.9171.6-70.7-76.2000110.3D126 C129 L150 N151F124-D126 PolarHBondContact O-N 3.47Å; F124-C129 HydrophobicContact CD1-CB 4.17Å; F124-C129 HydrophobicContact CE1-CB 3.7Å; F124-C129 HydrophobicContact CZ-CB 4.3Å; F124-L150 HydrophobicContact CE2-CB 4.08Å; F124-N151 WeakPolarHBondContact CD2-OD1 3.35Å; F124-N151 WeakPolarHBondContact CE2-OD1 3.35Å
125D60.6Low79.2Confident156 Ų15672.4 Ų72.483%0.83437%0.371SS*.SBendtrans-73.983.8168.4-70-21.5000108.9
126D49.8Very low79.4Confident140 Ų14072.4 Ų72.475%0.74938%0.377SS*.SBendtrans69.3131.8-177.9-144.79.2000116.1F124 Y128F124-D126 PolarHBondContact O-N 3.47Å; D126-Y128 PolarHBondContact O-N 3.27Å
127P57.2Low79.6Confident71 Ų7169.9 Ų69.946%0.46138%0.382SS..SBend-79.65.1-84.8-3.520.2000113.8
128Y69Low79.8Confident53 Ų5369.4 Ų69.421%0.20837%0.373CS..SBendtrans-136.1125.2-164.3-51.3-54.3000112.6K111 D126 T130K111-Y128 HydrophobicContact CB-CD1 4.06Å; K111-Y128 HydrophobicContact CB-CE1 3.51Å; K111-Y128 HydrophobicContact CD-CE1 3.84Å; K111-Y128 WeakPolarHBondContact CE-OH 2.94Å; K111-Y128 HydrophobicContact CG-CD1 4.44Å; K111-Y128 HydrophobicContact CG-CE1 3.44Å; K111-Y128 VanDerWaalsContact CG-CE1 3.44Å; D126-Y128 PolarHBondContact O-N 3.27Å; Y128-T130 PolarHBondContact O-N 3.5Å
129C78.3Confident79.8Confident4 Ų476.2 Ų76.23%0.02740%0.4CS..  trans-59.5130.3175-173.10000111.1L98 C114 C120 F124 Y131 C132L98-C129 WeakPolarHBondContact CD1-O 3.48Å; L98-C129 HydrophobicContact CD2-CB 3.99Å; L98-C129 WeakPolarHBondContact CD2-O 3.35Å; C114-C129 PolarHBondContact SG-SG 3.36Å; C120-C129 WeakPolarHBondContact CA-SG 3.5Å; C120-C129 HydrophobicContact CB-CB 3.73Å; C120-C129 WeakPolarHBondContact CB-SG 3.44Å; C120-C129 WeakPolarHBondContact SG-CA 3.36Å; C120-C129 WeakPolarHBondContact SG-CB 3.45Å; C120-C129 CovalentContact SG-SG 2.02Å; C120-C129 PolarHBondContact SG-SG 3.1Å; F124-C129 HydrophobicContact CD1-CB 4.17Å; F124-C129 HydrophobicContact CE1-CB 3.7Å; F124-C129 HydrophobicContact CZ-CB 4.3Å; C129-Y131 PolarHBondContact SG-O 3.18Å; C129-C132 VanDerWaalsContact SG-SG 3.64Å
130T76.5Confident79.8Confident93 Ų9381.8 Ų81.857%0.57144%0.438SS*.SBendtrans-89.8-28.3179.256.50000112.7N96 Y128N96-T130 PolarHBondContact ND2-O 3.28Å; Y128-T130 PolarHBondContact O-N 3.5Å
131Y85.1Confident79.8Confident118 Ų11882.1 Ų82.146%0.46344%0.443SS..  trans-154.4128.9-178.3-179-101.6000112.3N96 D121 C129 R133N96-Y131 HydrophobicContact CB-CD2 4.29Å; D121-Y131 PolarHBondContact N-O 3.46Å; C129-Y131 PolarHBondContact SG-O 3.18Å; Y131-R133 HydrophobicContact CD1-CG 4.37Å; Y131-R133 HydrophobicContact CE1-CG 3.73Å
132C90.8Very high80.5Confident7 Ų784 Ų845%0.04745%0.448CS..EExtended strand (participates in β ladder)trans-108.6133.3-179.1-53.50000111.8N96 L98 C114 F119 C129N96-C132 PolarHBondContact O-N 3.1Å; L98-C132 WeakPolarHBondContact CD2-SG 3.4Å; C114-C132 WeakPolarHBondContact CA-SG 3.42Å; C114-C132 HydrophobicContact CB-CB 3.73Å; C114-C132 WeakPolarHBondContact CB-SG 3.14Å; C114-C132 WeakPolarHBondContact SG-CB 3.43Å; C114-C132 CovalentContact SG-SG 2.04Å; C114-C132 PolarHBondContact SG-SG 3.01Å; F119-C132 CarbonylContact O-C 3.51Å; F119-C132 WeakPolarHBondContact O-CA 3.42Å; C129-C132 VanDerWaalsContact SG-SG 3.64Å
133R91.6Very high81.3Confident130 Ų13080.9 Ų80.949%0.49143%0.428SS..EExtended strand (participates in β ladder)trans-98.3145.3169.9-71.5-164.9-160.1-152.418.4111.2T118 F119 D121 Y131T118-R133 CarbonylContact C-O 3.47Å; T118-R133 WeakPolarHBondContact CA-O 3.47Å; T118-R133 VanDerWaalsContact CB-O 3.24Å; T118-R133 WeakPolarHBondContact CB-O 3.32Å; F119-R133 HydrophobicContact CD1-CB 4.37Å; F119-R133 VanDerWaalsContact CD1-O 3.22Å; F119-R133 WeakPolarHBondContact CD1-O 3.02Å; F119-R133 HydrophobicContact CE1-CB 3.73Å; F119-R133 HydrophobicContact CZ-CB 3.98Å; F119-R133 PolarHBondContact N-O 2.01Å; F119-R133 PolarHBondContact O-N 3.4Å; D121-R133 HydrophobicContact CB-CG 4.14Å; D121-R133 WeakPolarHBondContact OD1-CD 3.38Å; D121-R133 IonicContact OD1-CZ 3.72Å; D121-R133 IonicContact OD1-NE 3.58Å; D121-R133 PolarHBondContact OD1-NE 3.44Å; D121-R133 IonicContact OD1-NH2 3.17Å; D121-R133 IonicContact OD2-CZ 2.71Å; D121-R133 IonicContact OD2-NE 3.67Å; D121-R133 PolarHBondContact OD2-NE 3.44Å; D121-R133 IonicContact OD2-NH2 2.78Å; D121-R133 PolarHBondContact OD2-NH2 2.92Å; Y131-R133 HydrophobicContact CD1-CG 4.37Å; Y131-R133 HydrophobicContact CE1-CG 3.73Å
134S93.8Very high82.7Confident91 Ų9183 Ų8364%0.63644%0.435SS*.EExtended strand (participates in β ladder)trans-60.1142.8169.3-53.90000111.7G117G117-S134 WeakPolarHBondContact O-CA 3.36Å
135Y94.1Very high84.1Confident62 Ų6282.5 Ų82.524%0.24344%0.44CS..PPolyproline II helixtrans-57.7143.2169.3-65.6-42.7000111.1G117 F119 V137 G148 T149 N153 V154G117-Y135 VanDerWaalsContact C-CD2 3.46Å; G117-Y135 WeakPolarHBondContact O-CD2 3.21Å; G117-Y135 PolarHBondContact O-N 2.68Å; F119-Y135 HydrophobicContact CB-CD1 4.27Å; F119-Y135 HydrophobicContact CB-CE1 3.8Å; F119-Y135 AromaticContact CD1-CD1 3.86Å; F119-Y135 HydrophobicContact CD1-CD1 3.86Å; F119-Y135 HydrophobicContact CD1-CE1 4.27Å; F119-Y135 HydrophobicContact CG-CD1 4.44Å; F119-Y135 HydrophobicContact CG-CE1 4.42Å; Y135-V137 PolarHBondContact O-N 2.69Å; Y135-G148 VanDerWaalsContact CE1-CA 3.44Å; Y135-G148 VanDerWaalsContact OH-C 3.24Å; Y135-G148 PolarHBondContact OH-O 3.25Å; Y135-T149 PolarHBondContact OH-N 3.48Å; Y135-T149 PolarHBondContact OH-O 3.27Å; Y135-N153 WeakPolarHBondContact CA-OD1 3.44Å; Y135-V154 HydrophobicContact CD1-CG2 4.15Å; Y135-V154 HydrophobicContact CD2-CG2 4.26Å; Y135-V154 HydrophobicContact CG-CG2 3.84Å
136T93.4Very high85.6Confident70 Ų7078.3 Ų78.343%0.42942%0.419SS..PPolyproline II helixtrans-65.5119171.4-67.90000110.4N153 V154T136-N153 PolarHBondContact N-OD1 3.28Å; T136-N153 PolarHBondContact OG1-ND2 2.99Å; T136-V154 WeakPolarHBondContact O-CG1 3.44Å
137V94.3Very high87.6Confident131 Ų13175.9 Ų75.979%0.79441%0.411SS*.PPolyproline II helixtrans-73.1123.6166.6-1780000108.4Y135Y135-V137 PolarHBondContact O-N 2.69Å
138C93.4Very high89.2Confident27 Ų2773.3 Ų73.318%0.18240%0.398CS..PPolyproline II helixtrans-66.5134.6177.8-57.20000111F142 C156C138-F142 HydrophobicContact CB-CB 4.11Å; C138-C156 WeakPolarHBondContact CA-SG 3.31Å; C138-C156 HydrophobicContact CB-CB 3.83Å; C138-C156 WeakPolarHBondContact CB-SG 3.48Å; C138-C156 WeakPolarHBondContact SG-CB 3.46Å; C138-C156 CovalentContact SG-SG 2.04Å; C138-C156 PolarHBondContact SG-SG 2.96Å
139K92.3Very high90.1Very high160 Ų16074.2 Ų74.270%0.69641%0.409SS*.PPolyproline II helixtrans-66.4156178-64.4-177.6-179.8-1790110.8G141 F142K139-G141 PolarHBondContact O-N 2.04Å; K139-F142 HydrophobicContact CB-CD2 4.22Å; K139-F142 WeakPolarHBondContact O-CB 3.32Å; K139-F142 PolarHBondContact O-N 3.43Å
140P90.1Very high90.3Very high134 Ų13478.1 Ų78.187%0.8743%0.429SS*.THydrogen-bonded Turntrans-49.5133.4171.3-27.935.8000112.1F142P140-F142 VanDerWaalsContact C-N 3.34Å
141G88.2Confident90.7Very high11 Ų1177.6 Ų77.611%0.11342%0.423CS..THydrogen-bonded Turntrans825.7-172.300000115.3K139 C159 N162K139-G141 PolarHBondContact O-N 2.04Å; G141-C159 PolarHBondContact O-N 3.49Å; G141-N162 WeakPolarHBondContact CA-OD1 3.39Å
142F91.1Very high90.9Very high91 Ų9174.1 Ų74.140%0.39942%0.416SS..EExtended strand (participates in β ladder)trans-123.4142.1168.3-65.3-107.5000110C138 K139 P140 C156 E157 K158C138-F142 HydrophobicContact CB-CB 4.11Å; K139-F142 HydrophobicContact CB-CD2 4.22Å; K139-F142 WeakPolarHBondContact O-CB 3.32Å; K139-F142 PolarHBondContact O-N 3.43Å; P140-F142 VanDerWaalsContact C-N 3.34Å; F142-C156 HydrophobicContact CB-CB 4.32Å; F142-E157 CarbonylContact C-O 3.4Å; F142-E157 VanDerWaalsContact CA-O 3.23Å; F142-E157 WeakPolarHBondContact CA-O 3.28Å; F142-K158 HydrophobicContact CD1-CB 4.12Å; F142-K158 HydrophobicContact CE1-CB 3.89Å; F142-K158 HydrophobicContact CE1-CG 4.46Å; F142-K158 HydrophobicContact CZ-CB 4.34Å; F142-K158 HydrophobicContact CZ-CG 4.44Å
143R90.1Very high90.9Very high62 Ų6276.1 Ų76.123%0.23443%0.426CS..EExtended strand (participates in β ladder)trans-112.4161.9174.769.4-166.2-163.4-74.6-4.2110.5S145 C156 E157 K158R143-S145 PolarHBondContact O-N 2.96Å; R143-C156 CarbonylContact O-C 3.45Å; R143-C156 VanDerWaalsContact O-CA 3.3Å; R143-C156 WeakPolarHBondContact O-CA 3.29Å; R143-E157 IonicContact CZ-OE1 2.74Å; R143-E157 IonicContact CZ-OE2 2.97Å; R143-E157 PolarHBondContact N-O 3Å; R143-E157 IonicContact NH1-OE1 3.55Å; R143-E157 PolarHBondContact NH1-OE1 3.08Å; R143-E157 IonicContact NH1-OE2 2.89Å; R143-E157 IonicContact NH2-OE1 2.73Å; R143-E157 PolarHBondContact NH2-OE1 3.48Å; R143-E157 IonicContact NH2-OE2 3.7Å; R143-E157 PolarHBondContact NH2-OE2 3.01Å; R143-E157 PolarHBondContact O-N 3.45Å; R143-K158 PolarHBondContact NH1-O 2.83Å
144V93.1Very high91.1Very high69 Ų6970.9 Ų70.942%0.41841%0.409SS..EExtended strand (participates in β ladder)trans-67.8122.7168.2176.70000108.6V154V144-V154 HydrophobicContact CB-CG1 4.47Å; V144-V154 HydrophobicContact CG1-CG1 4.12Å; V144-V154 HydrophobicContact CG2-CG1 3.85Å
145S92.9Very high91.1Very high53 Ų5373 Ų7337%0.37141%0.406SS..EExtended strand (participates in β ladder)trans-102.1-31.7172.555.50000112.5R143 K155 E157R143-S145 PolarHBondContact O-N 2.96Å; S145-K155 PolarHBondContact N-O 2.04Å; S145-K155 PolarHBondContact OG-O 3.04Å; S145-E157 WeakPolarHBondContact CB-OE2 3.45Å
146V92.9Very high91.2Very high67 Ų6772.2 Ų72.241%0.40641%0.41SS..EExtended strand (participates in β ladder)trans-131.1123.1169.2-171.20000108.5K155V146-K155 HydrophobicContact CB-CB 3.93Å; V146-K155 HydrophobicContact CB-CD 4.22Å; V146-K155 HydrophobicContact CB-CG 4.13Å; V146-K155 HydrophobicContact CG2-CB 4.18Å; V146-K155 HydrophobicContact CG2-CD 4.04Å; V146-K155 HydrophobicContact CG2-CG 4.42Å; V146-K155 PolarHBondContact N-O 2.89Å; V146-K155 PolarHBondContact O-N 3.37Å
147P92.2Very high91.2Very high89 Ų8973 Ų7358%0.57841%0.408SS*.  trans-65.7152176.129.7-35.3000110.8
148G89.7Confident91.1Very high18 Ų1873.2 Ų73.219%0.18640%0.399CS..  trans-70.1153.5174.600000112.3Y135 S152Y135-G148 VanDerWaalsContact CE1-CA 3.44Å; Y135-G148 VanDerWaalsContact OH-C 3.24Å; Y135-G148 PolarHBondContact OH-O 3.25Å; G148-S152 CarbonylContact C-O 3.58Å; G148-S152 WeakPolarHBondContact CA-O 3.37Å
149T88.1Confident90.8Very high72 Ų7272.3 Ų72.344%0.44239%0.392SS..BIsolated β-bridgetrans-126.4174.7173.475.40000109.5F119 Y135 N151 S152F119-T149 WeakPolarHBondContact CB-O 3.45Å; Y135-T149 PolarHBondContact OH-N 3.48Å; Y135-T149 PolarHBondContact OH-O 3.27Å; T149-N151 PolarHBondContact O-N 3.4Å; T149-N151 PolarHBondContact OG1-N 2.75Å; T149-S152 WeakPolarHBondContact CB-OG 3.49Å; T149-S152 WeakPolarHBondContact CG2-OG 3.42Å; T149-S152 PolarHBondContact N-O 3.32Å; T149-S152 PolarHBondContact N-OG 3.47Å; T149-S152 PolarHBondContact O-N 2.95Å; T149-S152 VanDerWaalsContact O-N 3.15Å; T149-S152 PolarHBondContact OG1-N 2.87Å; T149-S152 PolarHBondContact OG1-OG 3.47Å
150L83.3Confident90.4Very high85 Ų8569.9 Ų69.945%0.44539%0.393SS..THydrogen-bonded Turntrans-55.3-20.2175-63.1175.4000113.9C120 F124C120-L150 PolarHBondContact N-O 3.49Å; F124-L150 HydrophobicContact CE2-CB 4.08Å
151N85Confident89.8Confident83 Ų8367.7 Ų67.744%0.44438%0.377SS..THydrogen-bonded Turntrans-117.8-1.8-179.7-72.3-19000114.5F124 T149F124-N151 WeakPolarHBondContact CD2-OD1 3.35Å; F124-N151 WeakPolarHBondContact CE2-OD1 3.35Å; T149-N151 PolarHBondContact O-N 3.4Å; T149-N151 PolarHBondContact OG1-N 2.75Å
152S87.9Confident89Confident44 Ų4472.2 Ų72.231%0.30840%0.399SS..BIsolated β-bridgetrans-141.8131.8-17170.50000112.3G148 T149G148-S152 CarbonylContact C-O 3.58Å; G148-S152 WeakPolarHBondContact CA-O 3.37Å; T149-S152 WeakPolarHBondContact CB-OG 3.49Å; T149-S152 WeakPolarHBondContact CG2-OG 3.42Å; T149-S152 PolarHBondContact N-O 3.32Å; T149-S152 PolarHBondContact N-OG 3.47Å; T149-S152 PolarHBondContact O-N 2.95Å; T149-S152 VanDerWaalsContact O-N 3.15Å; T149-S152 PolarHBondContact OG1-N 2.87Å; T149-S152 PolarHBondContact OG1-OG 3.47Å
153N92.2Very high88.1Confident50 Ų5073.7 Ų73.727%0.26742%0.418SS..PPolyproline II helixtrans-61.1155.5172.2-161.84.1000112F119 Y135 T136F119-N153 HydrophobicContact CD1-CB 4.13Å; F119-N153 HydrophobicContact CE1-CB 3.64Å; F119-N153 HydrophobicContact CE2-CB 4.09Å; F119-N153 HydrophobicContact CZ-CB 3.63Å; Y135-N153 WeakPolarHBondContact CA-OD1 3.44Å; T136-N153 PolarHBondContact N-OD1 3.28Å; T136-N153 PolarHBondContact OG1-ND2 2.99Å
154V94.2Very high87.5Confident20 Ų2072.8 Ų72.812%0.12142%0.42CS..PPolyproline II helixtrans-58.2134165.4163.40000109.6Y135 T136 V144Y135-V154 HydrophobicContact CD1-CG2 4.15Å; Y135-V154 HydrophobicContact CD2-CG2 4.26Å; Y135-V154 HydrophobicContact CG-CG2 3.84Å; T136-V154 WeakPolarHBondContact O-CG1 3.44Å; V144-V154 HydrophobicContact CB-CG1 4.47Å; V144-V154 HydrophobicContact CG1-CG1 4.12Å; V144-V154 HydrophobicContact CG2-CG1 3.85Å
155K95.1Very high86.6Confident135 Ų13572.7 Ų72.759%0.58742%0.421SS*.EExtended strand (participates in β ladder)trans-98.7133.9168.2-58.1-172.5-179.3-1790109.8S145 V146S145-K155 PolarHBondContact N-O 2.04Å; S145-K155 PolarHBondContact OG-O 3.04Å; V146-K155 HydrophobicContact CB-CB 3.93Å; V146-K155 HydrophobicContact CB-CD 4.22Å; V146-K155 HydrophobicContact CB-CG 4.13Å; V146-K155 HydrophobicContact CG2-CB 4.18Å; V146-K155 HydrophobicContact CG2-CD 4.04Å; V146-K155 HydrophobicContact CG2-CG 4.42Å; V146-K155 PolarHBondContact N-O 2.89Å; V146-K155 PolarHBondContact O-N 3.37Å
156C95.1Very high85.4Confident46 Ų4675.7 Ų75.731%0.31144%0.439SS..EExtended strand (participates in β ladder)trans-109.8141.6179.6-59.90000110.8C138 F142 R143C138-C156 WeakPolarHBondContact CA-SG 3.31Å; C138-C156 HydrophobicContact CB-CB 3.83Å; C138-C156 WeakPolarHBondContact CB-SG 3.48Å; C138-C156 WeakPolarHBondContact SG-CB 3.46Å; C138-C156 CovalentContact SG-SG 2.04Å; C138-C156 PolarHBondContact SG-SG 2.96Å; F142-C156 HydrophobicContact CB-CB 4.32Å; R143-C156 CarbonylContact O-C 3.45Å; R143-C156 VanDerWaalsContact O-CA 3.3Å; R143-C156 WeakPolarHBondContact O-CA 3.29Å
157E93.6Very high83.9Confident85 Ų8578.2 Ų78.240%0.39745%0.446SS..EExtended strand (participates in β ladder)trans-130.8142179.2-171.4-155.4129.100109.6F142 R143 S145F142-E157 CarbonylContact C-O 3.4Å; F142-E157 VanDerWaalsContact CA-O 3.23Å; F142-E157 WeakPolarHBondContact CA-O 3.28Å; R143-E157 IonicContact CZ-OE1 2.74Å; R143-E157 IonicContact CZ-OE2 2.97Å; R143-E157 PolarHBondContact N-O 3Å; R143-E157 IonicContact NH1-OE1 3.55Å; R143-E157 PolarHBondContact NH1-OE1 3.08Å; R143-E157 IonicContact NH1-OE2 2.89Å; R143-E157 IonicContact NH2-OE1 2.73Å; R143-E157 PolarHBondContact NH2-OE1 3.48Å; R143-E157 IonicContact NH2-OE2 3.7Å; R143-E157 PolarHBondContact NH2-OE2 3.01Å; R143-E157 PolarHBondContact O-N 3.45Å; S145-E157 WeakPolarHBondContact CB-OE2 3.45Å
158K92.3Very high81.6Confident137 Ų13781 Ų8160%0.59646%0.462SS*.EExtended strand (participates in β ladder)trans-61.9138.9178.8-168.2-177.8177.3-174.80110.2F142 R143F142-K158 HydrophobicContact CD1-CB 4.12Å; F142-K158 HydrophobicContact CE1-CB 3.89Å; F142-K158 HydrophobicContact CE1-CG 4.46Å; F142-K158 HydrophobicContact CZ-CB 4.34Å; F142-K158 HydrophobicContact CZ-CG 4.44Å; R143-K158 PolarHBondContact NH1-O 2.83Å
159C87.3Confident79.5Confident7 Ų785 Ų855%0.04748%0.482CS..  trans-74.4145.9176.4-63.60000111.1G141 T161 C164G141-C159 PolarHBondContact O-N 3.49Å; C159-T161 WeakPolarHBondContact CB-O 3.37Å; C159-T161 PolarHBondContact O-N 3.07Å; C159-C164 HydrophobicContact CB-CB 3.81Å; C159-C164 WeakPolarHBondContact CB-SG 3.26Å; C159-C164 WeakPolarHBondContact SG-CB 3.29Å; C159-C164 CovalentContact SG-SG 2.03Å; C159-C164 PolarHBondContact SG-SG 2.96Å
160P84.6Confident77.3Confident110 Ų11086.3 Ų86.371%0.71450%0.501SS*.SBendtrans-60.6-32.1177.2-23.334000112.5
161T77.6Confident75.3Confident87 Ų8789.7 Ų89.753%0.53451%0.514SS..SBendtrans-131.6155.7174.345.40000109.9C159 P163C159-T161 WeakPolarHBondContact CB-O 3.37Å; C159-T161 PolarHBondContact O-N 3.07Å; T161-P163 CarbonylContact C-O 3.44Å; T161-P163 CarbonylContact O-C 3.47Å; T161-P163 VanDerWaalsContact O-O 3.12Å
162N71.4Confident72.9Confident107 Ų10791.4 Ų91.457%0.57253%0.528SS*.SBendtrans-118127.4173.7-75.5-14.8000108.7G141G141-N162 WeakPolarHBondContact CA-OD1 3.39Å
163P72.4Confident70.8Confident122 Ų12294.5 Ų94.579%0.79255%0.545SS*.SBendcis-61158.1-5-20.933.7000113.4T161T161-P163 CarbonylContact C-O 3.44Å; T161-P163 CarbonylContact O-C 3.47Å; T161-P163 VanDerWaalsContact O-O 3.12Å
164C76.1Confident68.1Low43 Ų4396.8 Ų96.829%0.29156%0.561SS.*PPolyproline II helixtrans-59.6133.9176.8-61.50000110.8C159C159-C164 HydrophobicContact CB-CB 3.81Å; C159-C164 WeakPolarHBondContact CB-SG 3.26Å; C159-C164 WeakPolarHBondContact SG-CB 3.29Å; C159-C164 CovalentContact SG-SG 2.03Å; C159-C164 PolarHBondContact SG-SG 2.96Å
165P75.9Confident65.5Low66 Ų66100.4 Ų100.443%0.42958%0.583SS.*PPolyproline II helixtrans-64.114417526.9-33.7000110.5H167P165-H167 PolarHBondContact O-N 3.46Å
166P66.8Low62.7Low116 Ų11699.5 Ų99.575%0.75359%0.589SS**PPolyproline II helixtrans-64.2132.4176.727.3-33.9000110.1T168P166-T168 PolarHBondContact O-N 2.99Å; P166-T168 VanDerWaalsContact O-N 3.11Å
167H60.8Low60.1Low121 Ų121101.1 Ų101.156%0.5660%0.597SS**  trans-65.9110.9175.3-80-107.3000110P165 T169P165-H167 PolarHBondContact O-N 3.46Å; H167-T169 PolarHBondContact O-N 2.83Å
168T44.4Very low57.1Low147 Ų147103.3 Ų103.390%0.90262%0.617SS**SBendtrans-73.19.1-179.6-27.10000114P166P166-T168 PolarHBondContact O-N 2.99Å; P166-T168 VanDerWaalsContact O-N 3.11Å
169T45.2Very low54.6Low101 Ų101101.5 Ų101.562%0.6262%0.617SS**  trans-98.4103.8167.127.40000109.9H167 Q171H167-T169 PolarHBondContact O-N 2.83Å; T169-Q171 PolarHBondContact O-N 3.28Å
170A43.4Very low52.1Low101 Ų101109.1 Ų109.184%0.83566%0.657SS**  trans-71.258.4169.800000111.8T172A170-T172 PolarHBondContact O-N 3.24Å; A170-T172 VanDerWaalsContact O-N 3.14Å
171Q39.8Very low49.6Very low155 Ų155107.6 Ų107.672%0.72465%0.654SS**  trans-79.185.1156.5-69.8-167.412.900107.6T169 V173T169-Q171 PolarHBondContact O-N 3.28Å; Q171-V173 HydrophobicContact CB-CG2 4.3Å; Q171-V173 PolarHBondContact O-N 3.41Å
172T34.2Very low47.5Very low119 Ų119109.5 Ų109.573%0.7367%0.666SS**  trans-57.497.8153.3-54.80000106.1A170 T174A170-T172 PolarHBondContact O-N 3.24Å; A170-T172 VanDerWaalsContact O-N 3.14Å; T172-T174 PolarHBondContact O-N 2.86Å
173V45.8Very low45.6Very low109 Ų109110.3 Ų110.366%0.66167%0.674SS**  trans-74.865.3175.2-1710000108.5Q171 T175Q171-V173 HydrophobicContact CB-CG2 4.3Å; Q171-V173 PolarHBondContact O-N 3.41Å; V173-T175 PolarHBondContact O-N 3.08Å
174T34.4Very low43.9Very low99 Ų99110.5 Ų110.561%0.60768%0.676SS**  trans-5893.6146.5-54.60000105.1T172 T176T172-T174 PolarHBondContact O-N 2.86Å; T174-T176 HydrophobicContact CG2-CG2 3.85Å; T174-T176 PolarHBondContact O-N 3.22Å
175T40.6Very low41.8Very low96 Ų96120.1 Ų120.159%0.58971%0.706SS**  trans-62.790.7165.1-50.60000106.4V173 V177V173-T175 PolarHBondContact O-N 3.08Å; T175-V177 HydrophobicContact CG2-CG2 4.14Å; T175-V177 PolarHBondContact O-N 2.88Å
176T34.5Very low39.6Very low115 Ų115120 Ų12071%0.70672%0.716SS**  trans-69.673.8168.651.40000107.5T174 T178T174-T176 HydrophobicContact CG2-CG2 3.85Å; T174-T176 PolarHBondContact O-N 3.22Å; T176-T178 PolarHBondContact O-N 2.8Å
177V41.4Very low38.2Very low80 Ų80120.5 Ų120.549%0.48572%0.72SS.*  trans-48.1122.9149.1-177.20000105T175 V179T175-V177 HydrophobicContact CG2-CG2 4.14Å; T175-V177 PolarHBondContact O-N 2.88Å; V177-V179 HydrophobicContact CB-CG2 3.84Å; V177-V179 HydrophobicContact CG1-CG2 3.66Å; V177-V179 PolarHBondContact O-N 2.82Å
178T30.6Very low36.8Very low131 Ų131124.2 Ų124.280%0.80474%0.738SS**  trans-71.170.6172.529.60000108.7T176 N180T176-T178 PolarHBondContact O-N 2.8Å; T178-N180 PolarHBondContact O-N 2.86Å
179V38.8Very low36Very low100 Ų100126 Ų12661%0.60674%0.735SS**  trans-71.596.3176.3-168.70000107.5V177 A181V177-V179 HydrophobicContact CB-CG2 3.84Å; V177-V179 HydrophobicContact CG1-CG2 3.66Å; V177-V179 PolarHBondContact O-N 2.82Å; V179-A181 HydrophobicContact CG1-CB 3.62Å; V179-A181 PolarHBondContact O-N 2.98Å
180N35.5Very low35.2Very low167 Ų167128.1 Ų128.189%0.89375%0.749SS**  trans-70.270.3165.5-81.5-2000109.6T178T178-N180 PolarHBondContact O-N 2.86Å
181A33.3Very low34.5Very low77 Ų77128.9 Ų128.964%0.63674%0.743SS**  trans-115.1109.7172.400000109.6V179V179-A181 HydrophobicContact CG1-CB 3.62Å; V179-A181 PolarHBondContact O-N 2.98Å
182T31.5Very low34Very low128 Ų128130.4 Ų130.479%0.78575%0.75SS**  trans-77.8155.9177.7-40.60000110.9
183T33.2Very low33.8Very low123 Ų123133.3 Ų133.376%0.75576%0.755SS**  trans79.4167.6162.3-5.70000115.5
184P36.7Very low33.8Very low126 Ų126132.9 Ų132.982%0.81876%0.755SS**  -110.9172-92.339-28.7000114.2
185R32.1Very low33.6Very low245 Ų245135 Ų13593%0.92577%0.767SS**  trans-119.5123-178.1-169.5179.4-61-128.92112.5
186G28.3Very low33.3Very low63 Ų63141 Ų14165%0.64978%0.779SS**  trans-87.8160.7163.400000112.1
187P37.6Very low33.3Very low127 Ų127141.5 Ų141.583%0.82579%0.785SS**  trans-93.8154-166.936-35.6000114.9
188Q31.4Very low32.9Very low200 Ų200144.3 Ų144.394%0.93580%0.796SS**  trans-118.2153.5150.7-82.9-171.6-19.800109.1
189Q28.7Very low32.9Very low183 Ų183145.8 Ų145.886%0.85580%0.798SS**  trans-99.9145.2-172.6-62.1163.4-59.500111.4
190T28.3Very low32.7Very low147 Ų147146.5 Ų146.590%0.90280%0.803SS**  trans-150.8143.7150.4-56.40000108.1
191T27.7Very low32.4Very low116 Ų116147.5 Ų147.571%0.71281%0.805SS**  trans-108.2132.6-161.8-56.80000113.1
192Q29.7Very low32.3Very low188 Ų188155 Ų15588%0.87982%0.817SS**  trans-164.3160.1149.6-109146.593.900111.7
193Q30.8Very low32.3Very low179 Ų179155.1 Ų155.184%0.83682%0.819SS**  trans-158.5173.4-167.3-104-165.612.800109.3
194P44Very low31.9Very low101 Ų101159.1 Ų159.166%0.65683%0.826SS**  cis-135.9147.4-25.134-17.1000114
195V31.7Very low31.7Very low142 Ų142158.5 Ų158.586%0.86183%0.825SS**  trans-141135.5154.5-173.80000109.6
196R33.2Very low31.6Very low222 Ų222152.1 Ų152.184%0.83882%0.818SS**  trans-116.1144.9161.4-77-172.9178.7-1770.8107.9
197P35.7Very low31.8Very low127 Ų127158 Ų15883%0.82583%0.825SS**  -103.9176.6100.2-21.236000115
198L31.7Very low31.4Very low138 Ų138158.9 Ų158.972%0.72383%0.828SS**  trans-107.4136.6178.7171.970.3000109.2
199L31.4Very low31.7Very low162 Ų162157.2 Ų157.285%0.84882%0.821SS**  trans-169.6155132.1-102.9167.1000112.4
200T34.8Very low32.4Very low115 Ų115156.9 Ų156.971%0.70682%0.819SS**  trans-79.4148.3-165.247.50000115.6
201M29.1Very low33.1Very low189 Ų189154 Ų15493%0.93180%0.803SS**  trans-164.4155.6136-104.3-68.4-131.600110.6
202R30.1Very low34.5Very low235 Ų235154.8 Ų154.889%0.88780%0.802SS**PPolyproline II helixtrans-91.5146.2-177.2-69-179.8-179.8165.2-0.1112.3
203P31.9Very low35.6Very low130 Ų130147.7 Ų147.784%0.84477%0.773SS**PPolyproline II helixtrans-71.1139.8166.331.1-33.9000110.9
204K25.9Very low36.7Very low207 Ų207142.6 Ų142.690%0.975%0.749SS**PPolyproline II helixtrans-103.5119.5173.1-170.4171.1-177177.50109.1
205S31.3Very low36.9Very low112 Ų112144.2 Ų144.278%0.78375%0.749SS**PPolyproline II helixtrans-85.8129.1177-173.30000110.5
206S31.5Very low38Very low111 Ų111142 Ų14278%0.77674%0.736SS**  trans-106.4103.4174.753.50000110.1
207K30.5Very low39Very low187 Ų187134.6 Ų134.681%0.81372%0.722SS**  trans-85137.5158.5-78.4-177168.1-175.20108.6
208T30.5Very low40.2Very low145 Ų145133.5 Ų133.589%0.8971%0.713SS**  trans-94.7129.3167.2-53.30000108.2
209E37.2Very low41.6Very low166 Ų166132.2 Ų132.278%0.77671%0.705SS**  trans-130.3136.1-177.1-160.6168.3127.500108.5
210Q43.3Very low43.2Very low176 Ų176127.2 Ų127.282%0.82269%0.688SS**  trans-80.2144.6-174.6-76.3176.1-97.200111.8I212Q210-I212 PolarHBondContact O-N 2.99Å
211P43.3Very low44.9Very low86 Ų86124 Ų12456%0.55868%0.677SS**  trans-77.6112.6-17330.4-34.6000112.4S213 L340P211-S213 PolarHBondContact O-N 3.27Å; P211-L340 HydrophobicContact CB-CD1 3.94Å; P211-L340 HydrophobicContact CG-CD1 4.01Å
212I56.1Low47.1Very low133 Ų133117.8 Ų117.868%0.68266%0.656SS**THydrogen-bonded Turntrans-71.7-3.4171.9-61.7165.2000111.9Q210 E214Q210-I212 PolarHBondContact O-N 2.99Å; I212-E214 PolarHBondContact O-N 2.82Å
213S54.8Low49.3Very low39 Ų39109.5 Ų109.527%0.27363%0.634SS.*Hα-helixtrans-61-38-169.3-159.10000115.5P211 M215 T341P211-S213 PolarHBondContact O-N 3.27Å; S213-M215 PolarHBondContact O-N 2.91Å; S213-T341 PolarHBondContact OG-N 3.46Å
214E52.3Low51.6Low72 Ų72105.2 Ų105.234%0.33661%0.613SS.*Hα-helixtrans-63-44.6-173.7-67.2-75.5125.900112I212 V216 A217 V218 L340I212-E214 PolarHBondContact O-N 2.82Å; E214-V216 VanDerWaalsContact C-N 3.29Å; E214-V216 PolarHBondContact O-N 2.95Å; E214-A217 PolarHBondContact O-N 3.12Å; E214-V218 PolarHBondContact O-N 3.3Å; E214-L340 PolarHBondContact OE1-N 2.89Å
215M49.8Very low54.2Low135 Ų135101.7 Ų101.767%0.66560%0.598SS**Hα-helixtrans-69-26.9-170.4-165.8166.667.800113S213 I219S213-M215 PolarHBondContact O-N 2.91Å; M215-I219 HydrophobicContact CG-CD1 4.47Å; M215-I219 WeakPolarHBondContact O-CD1 3.45Å; M215-I219 WeakPolarHBondContact O-CG1 3.39Å
216V54.6Low56.8Low96 Ų96101.3 Ų101.358%0.58259%0.587SS**Hα-helixtrans-74.7-39177.8-176.20000111.2E214 V218 I219 A220E214-V216 VanDerWaalsContact C-N 3.29Å; E214-V216 PolarHBondContact O-N 2.95Å; V216-V218 VanDerWaalsContact C-N 3.35Å; V216-V218 PolarHBondContact O-N 3.49Å; V216-I219 PolarHBondContact O-N 3.42Å; V216-A220 PolarHBondContact O-N 3.43Å
217A54Low59.4Low66 Ų66101.4 Ų101.455%0.54558%0.578SS.*Hα-helixtrans-62.6-40.7179.400000112E214 I219 A220 G221E214-A217 PolarHBondContact O-N 3.12Å; A217-I219 PolarHBondContact O-N 2.86Å; A217-A220 PolarHBondContact O-N 3.21Å; A217-G221 PolarHBondContact O-N 2.69Å
218V59.3Low62Low104 Ų10499.1 Ų99.163%0.6357%0.568SS**Hα-helixtrans-62.4-41176.2178.70000111.7E214 V216 G221 A222E214-V218 PolarHBondContact O-N 3.3Å; V216-V218 VanDerWaalsContact C-N 3.35Å; V216-V218 PolarHBondContact O-N 3.49Å; V218-G221 PolarHBondContact O-N 3.11Å; V218-A222 WeakPolarHBondContact O-CB 3.49Å; V218-A222 PolarHBondContact O-N 3.39Å
219I63Low64.6Low110 Ų11095.3 Ų95.356%0.56454%0.542SS*.Hα-helixtrans-69.9-37.8179.1-64.8167.3000111.3M215 V216 A217 S223M215-I219 HydrophobicContact CG-CD1 4.47Å; M215-I219 WeakPolarHBondContact O-CD1 3.45Å; M215-I219 WeakPolarHBondContact O-CG1 3.39Å; V216-I219 PolarHBondContact O-N 3.42Å; A217-I219 PolarHBondContact O-N 2.86Å; I219-S223 WeakPolarHBondContact O-CB 3.41Å; I219-S223 PolarHBondContact O-N 2.9Å; I219-S223 PolarHBondContact O-OG 3.02Å
220A64.4Low67Low58 Ų5891.2 Ų91.248%0.47953%0.525SS..Hα-helixtrans-65.4-44.2173.700000111.9V216 A217 S223 G224V216-A220 PolarHBondContact O-N 3.43Å; A217-A220 PolarHBondContact O-N 3.21Å; A220-S223 PolarHBondContact O-N 2.85Å; A220-S223 PolarHBondContact O-OG 2.88Å; A220-S223 VanDerWaalsContact O-OG 3.08Å; A220-G224 PolarHBondContact O-N 3.27Å
221G70.7Confident69Low46 Ų4686.8 Ų86.847%0.47451%0.51SS..Hα-helixtrans-62.3-45.8175.900000112.7A217 V218 S223 G224 F225A217-G221 PolarHBondContact O-N 2.69Å; V218-G221 PolarHBondContact O-N 3.11Å; G221-S223 PolarHBondContact O-N 3.38Å; G221-G224 PolarHBondContact O-N 2.88Å; G221-F225 WeakPolarHBondContact O-CB 3.48Å; G221-F225 PolarHBondContact O-N 2.87Å
222A73.9Confident71.1Confident60 Ų6087.8 Ų87.850%0.49651%0.505SS..Hα-helixtrans-63.1-41.4178.600000112.9V218 L226V218-A222 WeakPolarHBondContact O-CB 3.49Å; V218-A222 PolarHBondContact O-N 3.39Å; A222-L226 WeakPolarHBondContact O-CB 3.04Å; A222-L226 PolarHBondContact O-N 3.27Å
223S76.6Confident72.5Confident60 Ų6086 Ų8642%0.4250%0.497SS..Hα-helixtrans-71.2-39.5177.851.80000112.7I219 A220 G221 L226 L227I219-S223 WeakPolarHBondContact O-CB 3.41Å; I219-S223 PolarHBondContact O-N 2.9Å; I219-S223 PolarHBondContact O-OG 3.02Å; A220-S223 PolarHBondContact O-N 2.85Å; A220-S223 PolarHBondContact O-OG 2.88Å; A220-S223 VanDerWaalsContact O-OG 3.08Å; G221-S223 PolarHBondContact O-N 3.38Å; S223-L226 PolarHBondContact O-N 3.5Å; S223-L227 WeakPolarHBondContact O-CG 3.46Å; S223-L227 PolarHBondContact O-N 2.96Å
224G80.6Confident73.9Confident40 Ų4088.8 Ų88.841%0.41251%0.508SS..Hα-helixtrans-61.2-44.8172.300000113A220 G221 L227 F228A220-G224 PolarHBondContact O-N 3.27Å; G221-G224 PolarHBondContact O-N 2.88Å; G224-L227 PolarHBondContact O-N 3.27Å; G224-F228 PolarHBondContact O-N 3.4Å
225F80.8Confident75.3Confident133 Ų13390.4 Ų90.458%0.58352%0.518SS*.Hα-helixtrans-64.1-41.3176.5-174.7-110.2000112.3G221 L227 F228 L229G221-F225 WeakPolarHBondContact O-CB 3.48Å; G221-F225 PolarHBondContact O-N 2.87Å; F225-L227 PolarHBondContact O-N 2.91Å; F225-F228 PolarHBondContact O-N 2.89Å; F225-L229 HydrophobicContact CD1-CD1 3.98Å; F225-L229 HydrophobicContact CD1-CG 4.43Å; F225-L229 HydrophobicContact CE1-CD1 3.55Å; F225-L229 HydrophobicContact CE1-CG 4.16Å; F225-L229 HydrophobicContact CZ-CD1 4.02Å; F225-L229 HydrophobicContact CZ-CD2 4.31Å; F225-L229 HydrophobicContact CZ-CG 4.24Å; F225-L229 WeakPolarHBondContact O-CG 3.38Å; F225-L229 PolarHBondContact O-N 3.01Å
226L86.8Confident77Confident104 Ų10486.9 Ų86.955%0.54550%0.502SS..Hα-helixtrans-61.9-42.7175.9-177.961.3000112.1A222 S223 L229 I230A222-L226 WeakPolarHBondContact O-CB 3.04Å; A222-L226 PolarHBondContact O-N 3.27Å; S223-L226 PolarHBondContact O-N 3.5Å; L226-L229 PolarHBondContact O-N 3.25Å; L226-I230 HydrophobicContact CD1-CD1 4.43Å; L226-I230 HydrophobicContact CG-CD1 4.16Å; L226-I230 VanDerWaalsContact O-CG1 3.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 3.03Å
227L85.8Confident78.1Confident113 Ų11386.8 Ų86.859%0.59250%0.497SS*.Hα-helixtrans-64-41.7174.9-71.7172.2000112S223 G224 F225 L229 I230 V231S223-L227 WeakPolarHBondContact O-CG 3.46Å; S223-L227 PolarHBondContact O-N 2.96Å; G224-L227 PolarHBondContact O-N 3.27Å; F225-L227 PolarHBondContact O-N 2.91Å; L227-L229 PolarHBondContact O-N 3.49Å; L227-I230 PolarHBondContact O-N 3.4Å; L227-V231 WeakPolarHBondContact O-CG2 3.37Å; L227-V231 PolarHBondContact O-N 2.81Å
228F85.1Confident79.1Confident139 Ų13987.6 Ų87.661%0.6150%0.498SS*.Hα-helixtrans-60.9-44.3175.4-176.4-95.5000112G224 F225 I230 V231 F232G224-F228 PolarHBondContact O-N 3.4Å; F225-F228 PolarHBondContact O-N 2.89Å; F228-I230 PolarHBondContact O-N 3.5Å; F228-V231 PolarHBondContact O-N 3.39Å; F228-F232 WeakPolarHBondContact O-CB 3.31Å; F228-F232 PolarHBondContact O-N 2.97Å
229L84.7Confident79.8Confident66 Ų6690.2 Ų90.235%0.34650%0.501SS..Hα-helixtrans-62.4-39.6174.9-71.5-179.3000112.5F225 L226 L227 F232 L233F225-L229 HydrophobicContact CD1-CD1 3.98Å; F225-L229 HydrophobicContact CD1-CG 4.43Å; F225-L229 HydrophobicContact CE1-CD1 3.55Å; F225-L229 HydrophobicContact CE1-CG 4.16Å; F225-L229 HydrophobicContact CZ-CD1 4.02Å; F225-L229 HydrophobicContact CZ-CD2 4.31Å; F225-L229 HydrophobicContact CZ-CG 4.24Å; F225-L229 WeakPolarHBondContact O-CG 3.38Å; F225-L229 PolarHBondContact O-N 3.01Å; L226-L229 PolarHBondContact O-N 3.25Å; L227-L229 PolarHBondContact O-N 3.49Å; L229-F232 PolarHBondContact O-N 3.29Å; L229-L233 WeakPolarHBondContact O-CB 3.49Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.22Å
230I87.3Confident80.2Confident80 Ų8093.7 Ų93.741%0.4151%0.507SS..Hα-helixtrans-62.7-46.5175.6-70.2163.4000110.6L226 L227 F228 F232 L233 L234L226-I230 HydrophobicContact CD1-CD1 4.43Å; L226-I230 HydrophobicContact CG-CD1 4.16Å; L226-I230 VanDerWaalsContact O-CG1 3.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.41Å; L226-I230 PolarHBondContact O-N 3.03Å; L227-I230 PolarHBondContact O-N 3.4Å; F228-I230 PolarHBondContact O-N 3.5Å; I230-F232 PolarHBondContact O-N 2.84Å; I230-L233 PolarHBondContact O-N 3.07Å; I230-L234 HydrophobicContact CG2-CD1 4.09Å; I230-L234 WeakPolarHBondContact O-CB 3.4Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.33Å; I230-L234 PolarHBondContact O-N 3.08Å
231V85.7Confident80.3Confident82 Ų8296.9 Ų96.950%0.49751%0.51SS..Hα-helixtrans-62.8-42.6176.61730000111.3L227 F228 L234 L235L227-V231 WeakPolarHBondContact O-CG2 3.37Å; L227-V231 PolarHBondContact O-N 2.81Å; F228-V231 PolarHBondContact O-N 3.39Å; V231-L234 PolarHBondContact O-N 3.45Å; V231-L235 HydrophobicContact CG1-CD1 4.24Å; V231-L235 WeakPolarHBondContact O-CG 3.43Å; V231-L235 PolarHBondContact O-N 2.93Å
232F86.5Confident79.7Confident107 Ų107102.3 Ų102.347%0.46952%0.521SS..Hα-helixtrans-63.9-42.1177.8-173.6-110.2000112.5F228 L229 I230 L235 I236F228-F232 WeakPolarHBondContact O-CB 3.31Å; F228-F232 PolarHBondContact O-N 2.97Å; L229-F232 PolarHBondContact O-N 3.29Å; I230-F232 PolarHBondContact O-N 2.84Å; F232-L235 PolarHBondContact O-N 3.22Å; F232-I236 HydrophobicContact CD1-CD1 3.82Å; F232-I236 HydrophobicContact CE1-CD1 3.51Å; F232-I236 HydrophobicContact CZ-CD1 4Å; F232-I236 WeakPolarHBondContact O-CG1 3.3Å; F232-I236 PolarHBondContact O-N 3.47Å
233L86.4Confident78.6Confident97 Ų97104.2 Ų104.251%0.50853%0.526SS..Hα-helixtrans-64.1-40.8173.2-74.1169.7000111.9L229 I230 L235 I236 L237L229-L233 WeakPolarHBondContact O-CB 3.49Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.22Å; I230-L233 PolarHBondContact O-N 3.07Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-L235 PolarHBondContact O-N 3.28Å; L233-I236 PolarHBondContact O-N 2.75Å; L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.29Å; L233-L237 WeakPolarHBondContact O-CG 3.42Å; L233-L237 PolarHBondContact O-N 2.68Å
234L84.8Confident77.3Confident97 Ų97109.7 Ų109.751%0.50854%0.538SS..Hα-helixtrans-62.1-40.8173.2-72.8170.9000111.6I230 V231 I236 L237 C238I230-L234 HydrophobicContact CG2-CD1 4.09Å; I230-L234 WeakPolarHBondContact O-CB 3.4Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.33Å; I230-L234 PolarHBondContact O-N 3.08Å; V231-L234 PolarHBondContact O-N 3.45Å; L234-I236 PolarHBondContact O-N 3.01Å; L234-L237 PolarHBondContact O-N 3.35Å; L234-C238 VanDerWaalsContact O-CB 3.31Å; L234-C238 WeakPolarHBondContact O-CB 3.34Å; L234-C238 PolarHBondContact O-N 3.34Å; L234-C238 PolarHBondContact O-SG 2.67Å
235L81.8Confident75.9Confident105 Ų105111.8 Ų111.855%0.5554%0.54SS..Hα-helixtrans-63.9-39174.3-71.3171.3000112.4V231 F232 L233 K239V231-L235 HydrophobicContact CG1-CD1 4.24Å; V231-L235 WeakPolarHBondContact O-CG 3.43Å; V231-L235 PolarHBondContact O-N 2.93Å; F232-L235 PolarHBondContact O-N 3.22Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-L235 PolarHBondContact O-N 3.28Å; L235-K239 WeakPolarHBondContact O-CB 3.42Å; L235-K239 WeakPolarHBondContact O-CG 3.31Å; L235-K239 PolarHBondContact O-N 3.19Å
236I83.7Confident74.5Confident61 Ų61110 Ų11031%0.31354%0.543SS..Hα-helixtrans-64.9-43.6173.4-71168.2000111.1F232 L233 L234 K239 R240F232-I236 HydrophobicContact CD1-CD1 3.82Å; F232-I236 HydrophobicContact CE1-CD1 3.51Å; F232-I236 HydrophobicContact CZ-CD1 4Å; F232-I236 WeakPolarHBondContact O-CG1 3.3Å; F232-I236 PolarHBondContact O-N 3.47Å; L233-I236 PolarHBondContact O-N 2.75Å; L234-I236 PolarHBondContact O-N 3.01Å; I236-K239 PolarHBondContact O-N 3.01Å; I236-R240 WeakPolarHBondContact O-CB 3.46Å; I236-R240 PolarHBondContact O-N 3.14Å
237L79Confident73Confident94 Ų94107.4 Ų107.449%0.49254%0.542SS..Hα-helixtrans-67.7-39.5178.1-70.3171.5000111.9L233 L234 R240 K241L233-L237 WeakPolarHBondContact O-CB 3.31Å; L233-L237 VanDerWaalsContact O-CG 3.29Å; L233-L237 WeakPolarHBondContact O-CG 3.42Å; L233-L237 PolarHBondContact O-N 2.68Å; L234-L237 PolarHBondContact O-N 3.35Å; L237-R240 PolarHBondContact O-N 2.83Å; L237-K241 VanDerWaalsContact O-CB 3.31Å; L237-K241 WeakPolarHBondContact O-CB 3.32Å; L237-K241 PolarHBondContact O-N 2.93Å
238C73.9Confident70.9Confident83 Ų83109.5 Ų109.556%0.56155%0.553SS**Hα-helixtrans-65.6-39.6172.8-74.20000112L234 K242L234-C238 VanDerWaalsContact O-CB 3.31Å; L234-C238 WeakPolarHBondContact O-CB 3.34Å; L234-C238 PolarHBondContact O-N 3.34Å; L234-C238 PolarHBondContact O-SG 2.67Å; C238-K242 WeakPolarHBondContact O-CB 3.2Å; C238-K242 PolarHBondContact O-N 3.16Å
239K74.2Confident68.8Low160 Ų160112 Ų11270%0.69656%0.564SS**Hα-helixtrans-63.7-49.5171.7-80-171.4175.7-1750111.4L235 I236 K241 K242 T243L235-K239 WeakPolarHBondContact O-CB 3.42Å; L235-K239 WeakPolarHBondContact O-CG 3.31Å; L235-K239 PolarHBondContact O-N 3.19Å; I236-K239 PolarHBondContact O-N 3.01Å; K239-K241 VanDerWaalsContact C-N 3.33Å; K239-K241 PolarHBondContact O-N 3.21Å; K239-K242 PolarHBondContact O-N 3.26Å; K239-K242 VanDerWaalsContact O-N 3.11Å; K239-T243 PolarHBondContact O-N 3.25Å; K239-T243 PolarHBondContact O-OG1 2.9Å
240R71.3Confident66.6Low183 Ų183114 Ų11469%0.69158%0.584SS**Hα-helixtrans-59.6-39.8176.4-81.3-177.3162.9176.7-5.1112.6I236 L237 T243 R244I236-R240 WeakPolarHBondContact O-CB 3.46Å; I236-R240 PolarHBondContact O-N 3.14Å; L237-R240 PolarHBondContact O-N 2.83Å; R240-T243 PolarHBondContact O-N 3.36Å; R240-R244 WeakPolarHBondContact O-CB 3.17Å; R240-R244 PolarHBondContact O-N 2.8Å
241K66.9Low64.5Low125 Ų125115.4 Ų115.454%0.54360%0.598SS.*Hα-helixtrans-62.6-47.1172.3-178.6173.7176.6-177.30110.9L237 K239 T243 R244 D245L237-K241 VanDerWaalsContact O-CB 3.31Å; L237-K241 WeakPolarHBondContact O-CB 3.32Å; L237-K241 PolarHBondContact O-N 2.93Å; K239-K241 VanDerWaalsContact C-N 3.33Å; K239-K241 PolarHBondContact O-N 3.21Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 PolarHBondContact O-N 3.4Å; K241-R244 PolarHBondContact O-N 2.79Å; K241-R244 VanDerWaalsContact O-N 3.16Å; K241-D245 WeakPolarHBondContact CE-OD2 3.36Å; K241-D245 WeakPolarHBondContact CG-OD2 2.9Å; K241-D245 WeakPolarHBondContact O-CB 3.44Å; K241-D245 PolarHBondContact O-N 3.31Å
242K57.6Low62.4Low159 Ų159120.5 Ų120.569%0.69161%0.613SS**Hα-helixtrans-59.5-39.5176.3-171.8170.2-177.4174.20112.2C238 K239 S246C238-K242 WeakPolarHBondContact O-CB 3.2Å; C238-K242 PolarHBondContact O-N 3.16Å; K239-K242 PolarHBondContact O-N 3.26Å; K239-K242 VanDerWaalsContact O-N 3.11Å; K242-S246 WeakPolarHBondContact O-CB 3.45Å; K242-S246 PolarHBondContact O-N 3.29Å; K242-S246 VanDerWaalsContact O-N 3.14Å; K242-S246 PolarHBondContact O-OG 3.42Å
243T50.5Low61Low101 Ų101119.3 Ų119.362%0.6262%0.615SS**Hα-helixtrans-64.5-45.8173.7-46.10000111.8K239 R240 K241 S246 G247K239-T243 PolarHBondContact O-N 3.25Å; K239-T243 PolarHBondContact O-OG1 2.9Å; R240-T243 PolarHBondContact O-N 3.36Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 PolarHBondContact O-N 3.4Å; T243-S246 CarbonylContact O-C 3.59Å; T243-S246 PolarHBondContact O-N 3.49Å; T243-G247 PolarHBondContact O-N 3.38Å
244R51Low59.6Low175 Ų175117.8 Ų117.866%0.6661%0.607SS**Hα-helixtrans-63.7-46.5179.7-169.6-165.769.9153.88.8112.2R240 K241 S246 G247R240-R244 WeakPolarHBondContact O-CB 3.17Å; R240-R244 PolarHBondContact O-N 2.8Å; K241-R244 PolarHBondContact O-N 2.79Å; K241-R244 VanDerWaalsContact O-N 3.16Å; R244-S246 PolarHBondContact O-N 2.85Å; R244-G247 PolarHBondContact O-N 2.87Å
245D50.7Low58.2Low84 Ų84118.2 Ų118.245%0.44963%0.625SS.*Hα-helixtrans-74.5-8.1-179.1-57.6-6.6000111.6K241K241-D245 WeakPolarHBondContact CE-OD2 3.36Å; K241-D245 WeakPolarHBondContact CG-OD2 2.9Å; K241-D245 WeakPolarHBondContact O-CB 3.44Å; K241-D245 PolarHBondContact O-N 3.31Å
246S50.9Low57Low94 Ų94120.4 Ų120.466%0.65764%0.637SS**THydrogen-bonded Turntrans-98.6-1167.7-52.20000113.6K242 T243 R244K242-S246 WeakPolarHBondContact O-CB 3.45Å; K242-S246 PolarHBondContact O-N 3.29Å; K242-S246 VanDerWaalsContact O-N 3.14Å; K242-S246 PolarHBondContact O-OG 3.42Å; T243-S246 CarbonylContact O-C 3.59Å; T243-S246 PolarHBondContact O-N 3.49Å; R244-S246 PolarHBondContact O-N 2.85Å
247G56.3Low55.7Low51 Ų51120.5 Ų120.553%0.52665%0.653SS.*SBendtrans-106.4-6.1-176.800000114.8T243 R244 F249T243-G247 PolarHBondContact O-N 3.38Å; R244-G247 PolarHBondContact O-N 2.87Å; G247-F249 PolarHBondContact O-N 3.3Å
248L41.3Very low54.7Low156 Ų156120.6 Ų120.682%0.81765%0.654SS**  trans-85.487.8179.7-171.566.8000110.3
249F40.1Very low53.6Low193 Ų193120.9 Ų120.985%0.84666%0.656SS**PPolyproline II helixtrans-58.3145.3167.4-86.7-97.3000110.7G247G247-F249 PolarHBondContact O-N 3.3Å
250S38.6Very low51.9Low108 Ų108121 Ų12176%0.75566%0.659SS**PPolyproline II helixtrans-60.6139.8-176.8-52.50000112.3K252S250-K252 PolarHBondContact O-N 3.49Å
251P42.8Very low50.5Low108 Ų108117 Ų11770%0.70167%0.665SS**PPolyproline II helixtrans-57.9128.1164.5-19.831.9000109.5V253P251-V253 PolarHBondContact O-N 2.89Å
252K43.1Very low49.3Very low189 Ų189115.8 Ų115.882%0.82268%0.678SS**  trans-86.596.7172.8-171177179.9-174.90108.2S250S250-K252 PolarHBondContact O-N 3.49Å
253V56.7Low48.3Very low83 Ų83117.5 Ų117.550%0.50369%0.688SS.*  trans-73.6150168.9-70.50000110.1P251 N258P251-V253 PolarHBondContact O-N 2.89Å; V253-N258 WeakPolarHBondContact CA-O 3.42Å
254D56.1Low47.8Very low64 Ų64122.2 Ų122.234%0.34270%0.703SS.*  trans-76.2176.4167.16912.1000111.3N256 G257 N258D254-N256 PolarHBondContact O-N 3.42Å; D254-N256 VanDerWaalsContact O-N 3.14Å; D254-N256 WeakPolarHBondContact OD1-CA 3.47Å; D254-N256 WeakPolarHBondContact OD1-CB 3.49Å; D254-N256 PolarHBondContact OD1-N 2.98Å; D254-G257 PolarHBondContact O-N 3.45Å; D254-G257 PolarHBondContact OD1-N 3.47Å; D254-N258 PolarHBondContact OD1-N 2.89Å
255A56.2Low46.8Very low107 Ų107121.9 Ų121.988%0.88472%0.715SS**THydrogen-bonded Turntrans-69-5.3178.100000113.9
256N56.3Low45.9Very low151 Ų151121.2 Ų121.281%0.80773%0.727SS**THydrogen-bonded Turntrans-108.1-4.5-175.5-60.8-15.6000112.5D254D254-N256 PolarHBondContact O-N 3.42Å; D254-N256 VanDerWaalsContact O-N 3.14Å; D254-N256 WeakPolarHBondContact OD1-CA 3.47Å; D254-N256 WeakPolarHBondContact OD1-CB 3.49Å; D254-N256 PolarHBondContact OD1-N 2.98Å
257G57.2Low44.9Very low62 Ų62125.5 Ų125.564%0.63974%0.737SS**SBendtrans90.218.1175.300000115.2D254D254-G257 PolarHBondContact O-N 3.45Å; D254-G257 PolarHBondContact OD1-N 3.47Å
258N56.6Low43.6Very low96 Ų96127.6 Ų127.651%0.51374%0.743SS.*  trans-91155.8178-170.926000112.6V253 D254V253-N258 WeakPolarHBondContact CA-O 3.42Å; D254-N258 PolarHBondContact OD1-N 2.89Å
259C50.3Low43Very low89 Ų89127.2 Ų127.260%0.60174%0.742SS**  trans-110111171.5-720000109.7A261C259-A261 PolarHBondContact O-N 2.86Å
260E40.1Very low42.4Very low164 Ų164128 Ų12877%0.76675%0.745SS**  trans-66.2131.1177.2-63.9-175.4118.600111.7
261A41.8Very low42Very low98 Ų98125.8 Ų125.881%0.8174%0.739SS**  trans-89.4112.1172.400000109.6C259 E263C259-A261 PolarHBondContact O-N 2.86Å; A261-E263 PolarHBondContact O-N 3.47Å
262A41.1Very low41.3Very low99 Ų99128.6 Ų128.682%0.81875%0.749SS**PPolyproline II helixtrans-75121.9178.700000111.6
263E36.7Very low40.6Very low195 Ų195125.4 Ų125.491%0.91175%0.75SS**PPolyproline II helixtrans-64.3133.2170.8-64.9-174.9106.600111A261A261-E263 PolarHBondContact O-N 3.47Å
264Q39.6Very low39.5Very low201 Ų201129.9 Ų129.994%0.93977%0.766SS**PPolyproline II helixtrans-96.1122.4167.1-80.9-167.6-22.300110.4
265N30.9Very low38.2Very low168 Ų168135.4 Ų135.490%0.89879%0.791SS**  trans-129.5112.4177.2-165.3-5.4000108.9
266G31.4Very low37Very low69 Ų69136.9 Ų136.971%0.71178%0.783SS**  trans154.7101.1-179.600000116.6
267H29.9Very low35.6Very low185 Ų185137.4 Ų137.486%0.85679%0.785SS**  trans-17.5149.4147.7-7478.4000116.6
268S29.8Very low34.2Very low95 Ų95143.1 Ų143.166%0.66479%0.792SS**  cis-168.9155.228.449.20000114.3
269N27.7Very low32.8Very low148 Ų148148.8 Ų148.879%0.79181%0.812SS**  trans36.4130.5141.8-50.2-17.3000119.6
270F28.5Very low31.7Very low209 Ų209155.9 Ų155.992%0.91783%0.827SS**  174.7154.955-172.9-99000111.2
271G28.4Very low31.1Very low61 Ų61154.4 Ų154.463%0.62983%0.829SS**  trans96.9110.2152.300000118.5
272D29.6Very low30.5Very low168 Ų168153.4 Ų153.490%0.89882%0.82SS**  trans-73.8145.7177.5-70.9-78.2000115.5
273S28.7Very low30Very low121 Ų121155.1 Ų155.185%0.84682%0.824SS**  trans-155.1131138.8-151.80000110.5
274Q32.4Very low29.6Very low178 Ų178153.7 Ų153.783%0.83282%0.817SS**  trans-69.6142-173.5-64.3-17818.600112.9
275M28.2Very low29.3Very low179 Ų179150.9 Ų150.988%0.88280%0.803SS**  trans-141.1134.3145.5-113.9-64.6169.100110.1L277M275-L277 PolarHBondContact O-N 3.28Å; M275-L277 VanDerWaalsContact O-N 3.08Å
276I32.7Very low29.3Very low138 Ų138151.8 Ų151.871%0.70881%0.805SS**  trans-74.9101.4-169.5-60.2172.3000109.7F278I276-F278 PolarHBondContact O-N 3.18Å
277L26.2Very low29Very low162 Ų162153.7 Ų153.785%0.84881%0.806SS**  trans-75.8105.7172.1-178.857.7000110M275 K279M275-L277 PolarHBondContact O-N 3.28Å; M275-L277 VanDerWaalsContact O-N 3.08Å; L277-K279 PolarHBondContact O-N 3.16Å
278F26.9Very low29.1Very low182 Ų182152.8 Ų152.880%0.79881%0.807SS**  trans-55.4121.3167.4-104.5-98.7000110.1I276 R280I276-F278 PolarHBondContact O-N 3.18Å; F278-R280 PolarHBondContact O-N 2.96Å
279K27.3Very low29Very low215 Ų215156.4 Ų156.494%0.93582%0.817SS**  trans-65.487.3-179.4-169.3179.3-173.9-179.90110.4L277L277-K279 PolarHBondContact O-N 3.16Å
280R27.4Very low29.1Very low239 Ų239156.5 Ų156.590%0.90281%0.813SS**PPolyproline II helixtrans-93.9130169.7-157.2170.1-164.61616.3109.3F278F278-R280 PolarHBondContact O-N 2.96Å
281T27.7Very low29.1Very low133 Ų133155.4 Ų155.482%0.81681%0.808SS**PPolyproline II helixtrans-59.2151.5-174.729.80000113.2
282A30.2Very low29.1Very low76 Ų76155.6 Ų155.663%0.62881%0.81SS**PPolyproline II helixtrans-63.9157.9172.800000111.5E284A282-E284 PolarHBondContact O-N 3.31Å; A282-E284 VanDerWaalsContact O-N 3.17Å
283P28.8Very low29Very low136 Ų136156.9 Ų156.988%0.88381%0.811SS**  trans-65.7111161.429.1-32.3000108.5
284E28.3Very low29Very low165 Ų165156.8 Ų156.877%0.77181%0.805SS**  trans-78.6149.9-178.4-97.6-171.1159.700113.3A282A282-E284 PolarHBondContact O-N 3.31Å; A282-E284 VanDerWaalsContact O-N 3.17Å
285Q34Very low28.7Very low141 Ų141152.6 Ų152.666%0.65980%0.801SS**  trans49.198.2142.9-53.8-66.6-7.800117.6C287Q285-C287 PolarHBondContact OE1-O 3.31Å
286M30.3Very low28.5Very low187 Ų187149 Ų14992%0.92179%0.793SS**SBendtrans-116.2124.7141.5-58.9-16987.200107.2
287C25.3Very low28.3Very low110 Ų110149.8 Ų149.874%0.74380%0.799SS**SBendtrans64.8117.1-159.5-490000111.9Q285Q285-C287 PolarHBondContact OE1-O 3.31Å
288L32.1Very low28.3Very low166 Ų166150.7 Ų150.787%0.86980%0.799SS**  cis-137.4159.938-82.4160.3000114.8
289L28.7Very low28.4Very low170 Ų170147.2 Ų147.289%0.8980%0.797SS**  trans-106164.4167.9-106.1164.9000110
290E28.9Very low28.4Very low151 Ų151142.9 Ų142.971%0.70679%0.788SS**  trans96.7130.4163.4-153.5-178.2120.900118.8
291K29.7Very low28.3Very low185 Ų185136.6 Ų136.680%0.80478%0.781SS**  trans64.7137.7176.2-72.1144.8178.5146.80117.5
292G27.8Very low28.4Very low66 Ų66135.1 Ų135.168%0.6878%0.776SS**  cis153126.1-13.200000114.3
293E28.2Very low28.3Very low194 Ų194136.1 Ų136.191%0.90778%0.779SS**  trans65.8156.4163.4-60.8-169113.600116.8
294V27.5Very low28.3Very low120 Ų120136 Ų13673%0.72777%0.77SS**  cis-158.2161.6-8.9116.70000110.3
295A26Very low28.4Very low90 Ų90133.2 Ų133.274%0.74477%0.765SS**  trans63.8141.1170.400000117.4
296S25.5Very low28.2Very low102 Ų102135.1 Ų135.171%0.71377%0.774SS**  cis99.9111.624.3-162.50000113.8
297D27.2Very low28.1Very low155 Ų155133.8 Ų133.883%0.82977%0.77SS**  -179.3176.9113.3-93.46.6000114.4
298Q26.8Very low28.1Very low182 Ų182133 Ų13385%0.8577%0.766SS**  trans-86.1163.6-175-58.1165.3700110.5
299S29.9Very low28Very low108 Ų108130.7 Ų130.776%0.75576%0.759SS**  -166.6150.758.743.20000109.7
300V26.9Very low28.1Very low125 Ų125133.9 Ų133.976%0.75876%0.759SS**  71100.865.4-175.60000115.9
301S25.5Very low28.1Very low107 Ų107129.6 Ų129.675%0.74875%0.749SS**  trans55.7168.2156.680.70000118.9
302S28.4Very low28.1Very low102 Ų102128.8 Ų128.871%0.71375%0.754SS**  cis-148.4-175.25.6-22.10000111.5
303S28.6Very low28.2Very low97 Ų97129.3 Ų129.368%0.67876%0.76SS**  trans-53.8165.1169.452.30000114.1
304D29.7Very low28.2Very low132 Ų132129.8 Ų129.871%0.70676%0.759SS**  -166.5145.754.9-104.4-68.7000116.6
305T29.1Very low28.2Very low107 Ų107128.9 Ų128.966%0.65676%0.758SS**  51.3122.3126.1-53.50000123.9
306E30.6Very low28.4Very low181 Ų181128.2 Ų128.285%0.84675%0.748SS**  trans46.3130.2152.3-68.4-172.599.400124.1
307N26.8Very low28.7Very low159 Ų159130.9 Ų130.985%0.8575%0.748SS**  -159.7163.8103.1-161.87.1000111.8
308S26.3Very low28.7Very low93 Ų93130.9 Ų130.965%0.6574%0.743SS**  trans-115.8144-178.5171.30000112.5
309T29.7Very low28.9Very low119 Ų119126.4 Ų126.473%0.7373%0.732SS**  trans-172139.1135.25.50000114.2
310R30.1Very low28.8Very low237 Ų237129.5 Ų129.589%0.89474%0.74SS**  trans51.8153.5140.2-83-162.5162.9108.3-2.2121.2
311A29.3Very low29Very low60 Ų60134.8 Ų134.850%0.49675%0.746SS.*  cis-164.5177.2-10.200000111.5
312D30.3Very low29.8Very low169 Ų169134.6 Ų134.690%0.90474%0.742SS**  trans69.8141.3152-53-35.9000120.8
313G29Very low29.7Very low77 Ų77137.6 Ų137.679%0.79475%0.749SS**  trans160.1101.6176.600000114.1
314F29.2Very low29.8Very low204 Ų204142 Ų14290%0.89576%0.759SS**  trans-76.3152.8-174.7-99-122.4000115.4
315S27.4Very low30.3Very low100 Ų100141 Ų14170%0.69976%0.76SS**  24.2148.5119.4-120.40000120.5
316S30.9Very low30.3Very low77 Ų77141.1 Ų141.154%0.53876%0.761SS.*  cis-175.4-172.5-7.433.80000110.3
317H30.1Very low30.3Very low157 Ų157140.8 Ų140.873%0.72776%0.764SS**  trans75.8158.9163.8-58.8-72.3000119
318E28.9Very low30.2Very low155 Ų155136.4 Ų136.472%0.72476%0.756SS**  cis-165.4159.3-31.8-175.1157.2145.600111.7
319S30.9Very low30.2Very low88 Ų88139.6 Ų139.662%0.61577%0.765SS**  trans7.1143.9161.8-55.20000123.2
320L27.3Very low30.1Very low174 Ų174141 Ų14191%0.91177%0.768SS**  -176.6169.1101.6-94.2170.6000115.2
321R30.7Very low30.1Very low235 Ų235136.8 Ų136.889%0.88776%0.763SS**  trans-119-172.5177.5-114.2-172.1-169.8-176.55.4108.7
322P43Very low30.8Very low103 Ų103139 Ų13967%0.66977%0.773SS**  cis-148.1-165.723.331.9-4000118
323L26.6Very low30.7Very low165 Ų165135 Ų13586%0.86476%0.763SS**  trans119.5152.9148.6-59.8178.6000120.4
324Q30.1Very low30.5Very low190 Ų190136.2 Ų136.289%0.88876%0.759SS**  trans-128.5-164.9-175.8-66.4-179.3-94.300109
325P40.4Very low30.4Very low111 Ų111134.2 Ų134.272%0.72176%0.757SS**  cis-137.5-153.91.536.8-10.3000113.1
326T29.2Very low30.4Very low109 Ų109136.5 Ų136.567%0.66976%0.76SS**  cis-162.9158.6-4.4-7.80000110.4
327L29.3Very low30.2Very low175 Ų175137.9 Ų137.992%0.91677%0.77SS**  trans59.4153.2153.7-67.6159.6000120.4
328G25.7Very low30.2Very low66 Ų66137.9 Ų137.968%0.6877%0.771SS**  cis175.4160.6-9.900000115.4
329L26.4Very low30.8Very low160 Ų160135.3 Ų135.384%0.83877%0.767SS**  trans70150.4158.5-12169.5000125.6
330D27.8Very low30.7Very low149 Ų149135.5 Ų135.580%0.79776%0.761SS**  trans97.3148.6152.5-65.7-37.7000125.2
331N29Very low30.7Very low148 Ų148131.7 Ų131.779%0.79175%0.745SS**  trans-143.6174.2-168.2-150.618.1000106.5
332P43.9Very low30.5Very low108 Ų108126.5 Ų126.570%0.70173%0.734SS**  cis-148.8-17734.843.8-21.3000118.1
333A28.3Very low29.7Very low85 Ų85129.8 Ų129.870%0.70274%0.741SS**  trans40.9156.2139.500000123.4
334S26.3Very low29.7Very low101 Ų101126.4 Ų126.471%0.70673%0.731SS**  cis-177.8171.3-19.9-85.70000108.7
335L27.4Very low29.6Very low162 Ų162123.5 Ų123.585%0.84873%0.726SS**  trans71.3163.4164.8-50.3-179.3000117.3
336L26.4Very low29.2Very low148 Ų148124.5 Ų124.578%0.77573%0.73SS**  cis-169.9155.5-45.7-146.7172.1000107.8
337S25.9Very low29.2Very low107 Ų107126.4 Ų126.475%0.74874%0.736SS**  trans115.7134.9153.6-430000118.9
338E31.6Very low29.8Very low157 Ų157123.1 Ų123.173%0.73473%0.725SS**  trans-88.5-159.4163.4-54.9162.781.300109.1
339P40.8Very low30.1Very low101 Ų101126.5 Ų126.566%0.65673%0.732SS**  cis-148174.5-4.246.6-27.7000119.4
340L28.6Very low30.5Very low91 Ų91123.1 Ų123.148%0.47673%0.727SS.*  trans85147.3133.5-131.670.1000125.5P211 E214P211-L340 HydrophobicContact CB-CD1 3.94Å; P211-L340 HydrophobicContact CG-CD1 4.01Å; E214-L340 PolarHBondContact OE1-N 2.89Å
341T28.1Very low31.1Very low95 Ų95122.2 Ų122.258%0.58373%0.73SS**  trans86.1147.3155.772.60000118.9S213S213-T341 PolarHBondContact OG-N 3.46Å
342L25.3Very low31.3Very low125 Ų125123.9 Ų123.965%0.65473%0.733SS**  cis-156.8165.4-4.4-145.769.7000112.4
343Q26.2Very low30.7Very low172 Ų172129.9 Ų129.980%0.80474%0.742SS**  trans67.9153.9156.3-78.5169.31.100119.2
344S26.5Very low30.9Very low94 Ų94129.7 Ų129.766%0.65774%0.735SS**  cis-166.8144.6-10.950.50000114
345V29.7Very low31.3Very low129 Ų129132.7 Ų132.778%0.78274%0.742SS**  trans54.2120138.1-178.90000118.5
346T31Very low31.3Very low133 Ų133129.6 Ų129.682%0.81673%0.733SS**  -172.8153.377.6-35.70000112.5
347D28.9Very low31.3Very low148 Ų148129.5 Ų129.579%0.79174%0.739SS**  trans-74.2-176.2164-115.8-45.9000111.6
348P43Very low31.7Very low106 Ų106133.5 Ų133.569%0.68875%0.746SS**  cis-161.2-171.938.249.4-27.1000121.2
349V30.7Very low31.5Very low137 Ų137132.1 Ų132.183%0.8375%0.754SS**  trans83.7134.1147.71620000120.5
350A34.3Very low31.1Very low89 Ų89132.5 Ų132.574%0.73676%0.759SS**  trans-134.9177.816400000109.1
351P41.3Very low31.3Very low130 Ų130133.9 Ų133.984%0.84478%0.776SS**  trans-132154.6149.231.3-15.8000114.9
352Q33.3Very low31.7Very low184 Ų184138.1 Ų138.186%0.8679%0.789SS**  trans-102.2167175.2-53.7174.6-49.800111.6
353R30.2Very low32.5Very low234 Ų234137.1 Ų137.188%0.88379%0.79SS**  157.5155.8125.8-88-165178.7-1740.7111.3
354S33.3Very low32.6Very low80 Ų80135.9 Ų135.956%0.55980%0.795SS**  cis-176.3147.6-1751.10000112.4
355I34.4Very low33.2Very low165 Ų165136.5 Ų136.585%0.84680%0.799SS**  trans66.8157.7144.7-68.6163.5000117.2
356S28.8Very low33.7Very low97 Ų97135.4 Ų135.468%0.67879%0.794SS**  cis176.8137.1-41.9-171.30000108.2
357T26.4Very low33.9Very low146 Ų146138 Ų13890%0.89680%0.797SS**  trans-157.8145158.710.70000111.8
358Q33.6Very low34.2Very low190 Ų190138.4 Ų138.489%0.88880%0.798SS**  trans-110.9151.4168.2-70.3180-18.800109.8
359S28.1Very low33.7Very low129 Ų129139.5 Ų139.590%0.90280%0.802SS**  trans-156.3170.4135.2-160.40000110.1
360S31.7Very low34Very low108 Ų108138 Ų13876%0.75580%0.798SS**  trans-128.1132-168.8169.70000111.8
361S33.3Very low34.3Very low121 Ų121139.2 Ų139.285%0.84680%0.798SS**  trans-165.4142.1150.248.40000113.9
362Q35.2Very low34.2Very low184 Ų184139.4 Ų139.486%0.8680%0.797SS**  trans-127.4172.4157.7-120.7-164.6-39.500105.4
363P41.9Very low34.3Very low104 Ų104136.3 Ų136.368%0.67579%0.791SS**  cis-135156.4-1.838.3-21.4000115.9
364T30Very low34.9Very low146 Ų146133 Ų13390%0.89679%0.79SS**  trans-146150.2152.6-240000110.2
365S39Very low34.9Very low106 Ų106133.8 Ų133.874%0.74180%0.796SS**  trans-111.7139.3178.9176.80000111.2
366P39.8Very low35.5Very low106 Ų106131.4 Ų131.469%0.68879%0.791SS**  trans-106.1140.3156.735.2-26.5000111.5
367Q35.7Very low36Very low188 Ų188135.3 Ų135.388%0.87980%0.798SS**  trans-77.2147.6164.5-64.2-175.23.900110.1
368I33.5Very low36.8Very low157 Ų157134.2 Ų134.281%0.80579%0.791SS**  trans-124.8129.4168.9-63.8-179.7000108.2
369V34.4Very low36.9Very low128 Ų128132.3 Ų132.378%0.77679%0.787SS**PPolyproline II helixtrans-82.5131-178177.10000110.1
370S36.1Very low37.5Very low106 Ų106131.9 Ų131.974%0.74178%0.779SS**PPolyproline II helixtrans-70128.1173-56.40000111.2
371P40.7Very low37.6Very low115 Ų115133.3 Ų133.375%0.74778%0.778SS**PPolyproline II helixtrans-73.3131.9171.529.8-33000110.7
372V39.1Very low37.9Very low133 Ų133134.5 Ų134.581%0.80677%0.773SS**PPolyproline II helixtrans-83.9118.1170.1176.10000108.9
373T35.6Very low38Very low120 Ų120129.9 Ų129.974%0.73676%0.758SS**  trans-108.299.8173.553.40000110.5S375T373-S375 PolarHBondContact O-N 3.08Å
374N42.4Very low37.8Very low163 Ų163132 Ų13287%0.87276%0.763SS**  trans-63.7129.9166.7-82.2-17.5000109.7
375S34.1Very low38Very low97 Ų97132.7 Ų132.768%0.67876%0.756SS**  trans-137.1130.6169.5-168.30000108.8T373 H377T373-S375 PolarHBondContact O-N 3.08Å; S375-H377 PolarHBondContact O-N 3.21Å
376P46.9Very low38Very low116 Ų116135.5 Ų135.575%0.75376%0.76SS**  trans-76.6124.7-172.629.5-33.8000111.8V378P376-V378 PolarHBondContact O-N 3.43Å
377H37.9Very low37.7Very low178 Ų178133.8 Ų133.882%0.82476%0.762SS**  trans-73.6114.5169.9-71.7-91.5000110.4S375 N379S375-H377 PolarHBondContact O-N 3.21Å; H377-N379 PolarHBondContact O-N 3.14Å
378V43.3Very low38Very low124 Ų124133 Ų13375%0.75276%0.764SS**  trans-89.7100.7170.5179.70000109P376 V380P376-V378 PolarHBondContact O-N 3.43Å; V378-V380 HydrophobicContact CG1-CG2 4.37Å; V378-V380 PolarHBondContact O-N 3.47Å
379N36.7Very low37.9Very low150 Ų150128.9 Ų128.980%0.80276%0.761SS**  trans-76108.3172.7-80.721.5000110.2H377 N381H377-N379 PolarHBondContact O-N 3.14Å; N379-N381 PolarHBondContact O-N 3.19Å
380V40.6Very low38Very low120 Ų120128.8 Ų128.873%0.72777%0.766SS**  trans-86102.1169.5-176.30000109V378 I382V378-V380 HydrophobicContact CG1-CG2 4.37Å; V378-V380 PolarHBondContact O-N 3.47Å; V380-I382 HydrophobicContact CG1-CG1 4.08Å
381N32.5Very low37.8Very low138 Ų138130 Ų13074%0.73877%0.773SS**  trans-88.8118.3172.9-176.532.4000110.1N379 T383N379-N381 PolarHBondContact O-N 3.19Å; N381-T383 PolarHBondContact ND2-OG1 2.95Å
382I40.6Very low37.4Very low145 Ų145128 Ų12874%0.74477%0.773SS**  trans-100.388.1-178.5-54.9-179.6000109.6V380 L384V380-I382 HydrophobicContact CG1-CG1 4.08Å; I382-L384 PolarHBondContact O-N 2.93Å
383T36.8Very low37.3Very low87 Ų87128.1 Ų128.153%0.53477%0.774SS.*  trans-80.3103.2172.6-480000110N381 H385N381-T383 PolarHBondContact ND2-OG1 2.95Å; T383-H385 WeakPolarHBondContact CG2-NE2 3.38Å; T383-H385 PolarHBondContact O-N 2.86Å
384L38.8Very low37.4Very low148 Ų148128.3 Ų128.378%0.77578%0.777SS**  trans-79.5102.1176.8-173.270.1000110.8I382 I386I382-L384 PolarHBondContact O-N 2.93Å; L384-I386 PolarHBondContact O-N 2.88Å
385H33.8Very low36.8Very low162 Ų162125.4 Ų125.475%0.7577%0.77SS**  trans-81.1112.5172.5-72.4-90.1000110.9T383 G387T383-H385 WeakPolarHBondContact CG2-NE2 3.38Å; T383-H385 PolarHBondContact O-N 2.86Å; H385-G387 PolarHBondContact O-N 3.17Å; H385-G387 VanDerWaalsContact O-N 3.1Å
386I38.5Very low36.5Very low164 Ų164130.4 Ų130.484%0.84178%0.779SS**  trans-77.393.7170.7-59.9173.8000108.3L384L384-I386 PolarHBondContact O-N 2.88Å
387G33.5Very low36.2Very low71 Ų71132.7 Ų132.773%0.73278%0.78SS**  trans-80117.5173.100000111.4H385 G389H385-G387 PolarHBondContact O-N 3.17Å; H385-G387 VanDerWaalsContact O-N 3.1Å; G387-G389 PolarHBondContact O-N 3.24Å
388N41.8Very low35.9Very low171 Ų171130.1 Ų130.191%0.91478%0.779SS**  trans-80.1114.5169.3-174.815.7000109.3
389G31.3Very low35.4Very low71 Ų71130.5 Ų130.573%0.73278%0.782SS**  trans-154.3122.4-176.200000112.1G387G387-G389 PolarHBondContact O-N 3.24Å
390S37.2Very low35.1Very low126 Ų126130.4 Ų130.488%0.88178%0.781SS**  trans-98.1132.2-178.4177.30000111.9
391C31.3Very low34.6Very low131 Ų131130.2 Ų130.289%0.88578%0.78SS**  trans-155152.1141.3-144.70000110.7
392G33Very low34.4Very low73 Ų73130 Ų13075%0.75378%0.779SS**  trans-82.9165.5-161.200000117
393T36.3Very low34Very low136 Ų136131.4 Ų131.483%0.83478%0.783SS**  trans-115.7151.1167.243.30000110.4
394P37.3Very low33.7Very low124 Ų124132 Ų13281%0.80580%0.797SS**  trans-79.6156.8-177.832.4-35.5000113.1
395S30.3Very low33.2Very low101 Ų101132.3 Ų132.371%0.70679%0.794SS**  trans-76.1142.1-178.6-177.10000113.5
396F28.7Very low33Very low202 Ų202132 Ų13289%0.88679%0.792SS**  trans-141.9120.8155.4-102-86.6000109.5
397Q39.5Very low32.4Very low165 Ų165132.6 Ų132.677%0.77179%0.792SS**PPolyproline II helixtrans-91.8149.8170.8-79.2-178.4-102.700111.4
398P32.4Very low32.1Very low123 Ų123136.8 Ų136.880%0.79980%0.796SS**PPolyproline II helixtrans-102.2159.4137.9-11.330.1000111.9
399T31.6Very low32.3Very low132 Ų132133.1 Ų133.181%0.8178%0.782SS**PPolyproline II helixtrans-97.5151.6-175.2-47.10000112.1
400D30.8Very low32.1Very low148 Ų148139.2 Ų139.279%0.79179%0.789SS**PPolyproline II helixtrans-88.3137.7177-178.117.2000112.6
401V30.2Very low31.8Very low116 Ų116136.9 Ų136.970%0.70378%0.784SS**  trans-151.7102.6171-175.10000112.2
402N29.1Very low31.8Very low135 Ų135140 Ų14072%0.72279%0.786SS**  trans46.198.7143.4-57.2-16.5000121.7
403Q32Very low32Very low174 Ų174145.5 Ų145.581%0.81379%0.792SS**  35.9124.9107.5-171.8175.61.900120.9
404A30.3Very low31.9Very low100 Ų100147.8 Ų147.883%0.82679%0.793SS**  trans-151148.6149.600000110.9
405E28.3Very low31.8Very low154 Ų154150.1 Ų150.172%0.7279%0.794SS**  trans-89.4169.4-175-59164.4106.400111.5
406H29.7Very low31.6Very low154 Ų154151.2 Ų151.271%0.71380%0.801SS**  -166.913874.5-82.567.4000114.2
407Q26.7Very low31.6Very low177 Ų177147.8 Ų147.883%0.82780%0.796SS**  trans60103.8140.7-71.4171.4-48.600123.7
408L26.3Very low31.1Very low159 Ų159144.5 Ų144.583%0.83279%0.792SS**  trans-40.2168.2133.1-84169.6000114.6
409P45.5Very low31.2Very low95 Ų95143.9 Ų143.962%0.61779%0.79SS**  -159177.551.642-18000122.1
410F27.9Very low32.3Very low199 Ų199143.1 Ų143.187%0.87379%0.788SS**  trans63.9135.2166.4-55.9-67.1000119.1
411G30.8Very low32.3Very low76 Ų76144.5 Ų144.578%0.78479%0.789SS**  cis124.5122.9-15.200000115.8
412Q32.2Very low32.5Very low198 Ų198147.1 Ų147.193%0.92579%0.794SS**  trans-156.5156.4152.3-162.7160.73.400109.6
413E36.3Very low32.9Very low188 Ų188149.4 Ų149.488%0.87980%0.8SS**  trans-121.4-150.2-159.3-57.6175.7127.900113.3
414E34.7Very low33.2Very low184 Ų184145.6 Ų145.686%0.8680%0.798SS**  trans83.993.9-174.1-53.5-162.5-170.300114.5
415E33.7Very low33.3Very low173 Ų173144.7 Ų144.781%0.80880%0.799SS**  86.712453.2-168.6178.7-14200114.2
416S26.7Very low33.7Very low123 Ų123146.4 Ų146.486%0.8680%0.804SS**  trans-166.9145.3148.136.40000110.6
417V28.9Very low34Very low130 Ų130145.3 Ų145.379%0.78880%0.803SS**  trans-117.9161.5-167.8174.90000111.5
418S30.1Very low34.2Very low97 Ų97142.6 Ų142.668%0.67880%0.803SS**  trans-97.9153.8-16664.10000116.8
419S32.7Very low34.8Very low109 Ų109143.7 Ų143.776%0.76280%0.802SS**  trans83173.7151.2-47.50000117.6
420P54.5Low34.3Very low117 Ų117148 Ų14876%0.7682%0.816SS**  -139.6160.9-70.541.4-26.1000115.8
421Q31.1Very low34.7Very low176 Ų176143.4 Ų143.482%0.82281%0.809SS**  trans-168.2159.3168.6-103.7-178.9-64.700110.1
422Q34.6Very low34.9Very low172 Ų172146.4 Ų146.480%0.80481%0.811SS**  cis-155.8-158.7-21.1-145.4171.7-900110.1
423E38.7Very low35Very low183 Ų183145.3 Ų145.386%0.85581%0.806SS**  trans-119.6162-155.6-153.5-163.5133.600115.9
424A37.9Very low35Very low93 Ų93144.8 Ų144.877%0.76980%0.804SS**  trans72.6124.6151.100000121.9
425G32.7Very low35.5Very low82 Ų82140.3 Ų140.385%0.84579%0.793SS**  trans-153.3141.3160.900000109.1
426K37Very low36.4Very low189 Ų189137.6 Ų137.682%0.82279%0.79SS**  trans-130.1140.1-151.8-153-169.5-179.4-172.20115.4
427L35.5Very low36.9Very low132 Ų132137.6 Ų137.669%0.69179%0.79SS**  trans55.9122.8155.3-82.9166.6000120.5
428S31.2Very low37.7Very low120 Ų120142.2 Ų142.284%0.83980%0.795SS**  -150.8144.1108.662.50000111.3
429F37.6Very low37.9Very low181 Ų181143.1 Ų143.179%0.79480%0.8SS**  trans-121.2141.4170.7-111.5-92000107.2
430M36Very low38.6Very low186 Ų186148 Ų14892%0.91683%0.825SS**  trans-137.5137.9158.7-87.6-173.365.100109
431S36.5Very low37.8Very low103 Ų103149.6 Ų149.672%0.7283%0.829SS**  trans-115.6144.7-176.1-44.80000109.9
432V34.6Very low38.2Very low138 Ų138148.2 Ų148.284%0.83683%0.829SS**  trans-141.5152157.1-1760000108.1
433E35Very low38.4Very low176 Ų176146.8 Ų146.882%0.82283%0.83SS**  trans-79.5168.5-163.4-68.1141.6104.400117.3
434E36.3Very low38.4Very low177 Ų177144.7 Ų144.783%0.82783%0.829SS**  trans-24.2162.2137.5-74.8-159.769.500117.4
435S43.2Very low38.4Very low89 Ų89147.9 Ų147.962%0.62283%0.833SS**  cis-151.5-122.5-6.1-106.70000110.8
436P53.2Low38.8Very low117 Ų117152.3 Ų152.376%0.7683%0.832SS**  -117167-104.938.2-27.5000115.4
437S37.5Very low38.9Very low122 Ų122149.7 Ų149.785%0.85383%0.832SS**  trans-169.6154144230000113.1
438Y46Very low39.2Very low228 Ų228151.1 Ų151.189%0.89484%0.843SS**  trans-114.4175.3170.1-102.4-93.6000109.4
439C35Very low39.8Very low116 Ų116153.7 Ų153.778%0.78484%0.844SS**  trans76.7151.2172.6-52.10000115.2
440T47.2Very low40Very low211 Ų211151.2 Ų151.2100%1.29485%0.848SS**  cis-115.504.554.60000112.7

Retrieved 440 of 440 residues in 166.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).