G4VQ23_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VQ23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44Very low63Low202 Ų202115.9 Ų115.9100%0.99566%0.661SS**  095.40-70.3-63.2165.200106.8N3M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.09Å
2S51.7Low64.9Low102 Ų102111.9 Ų111.971%0.71365%0.645SS**  trans-64.7108.7164.638.80000105.7L4S2-L4 PolarHBondContact O-N 3.11Å
3N56.6Low66.6Low146 Ų146117.3 Ų117.378%0.78166%0.657SS**  trans-64.186.4163.7-77.5-26.5000105.6M1 D5M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.09Å; N3-D5 PolarHBondContact O-N 3.1Å
4L60.9Low68Low126 Ų126117.3 Ų117.366%0.6665%0.654SS**  trans-60.699.8160.7-93.7156.3000104.5S2 I6 L9S2-L4 PolarHBondContact O-N 3.11Å; L4-I6 PolarHBondContact O-N 2.82Å; L4-L9 HydrophobicContact CD2-CD1 4.19Å
5D59.7Low69.4Low97 Ų97114.1 Ų114.152%0.51964%0.635SS.*  trans-58.5103.8178-100.2-20.2000107.3N3 S7 E8N3-D5 PolarHBondContact O-N 3.1Å; D5-S7 PolarHBondContact O-N 3.09Å; D5-S7 VanDerWaalsContact O-N 3.09Å; D5-E8 HydrophobicContact CB-CB 4.2Å; D5-E8 WeakPolarHBondContact O-CB 3.35Å; D5-E8 PolarHBondContact O-N 3.06Å
6I63.3Low70.4Confident115 Ų115109.9 Ų109.959%0.5961%0.611SS**THydrogen-bonded Turntrans-58.5-26.7-177-61.2171.5000110L4 E8 L16L4-I6 PolarHBondContact O-N 2.82Å; I6-E8 VanDerWaalsContact C-N 3.31Å; I6-L16 HydrophobicContact CG2-CD2 3.57Å
7S64.3Low71.4Confident103 Ų103110.8 Ų110.872%0.7261%0.609SS**THydrogen-bonded Turntrans-63.3-30.1171.633.10000113.9D5D5-S7 PolarHBondContact O-N 3.09Å; D5-S7 VanDerWaalsContact O-N 3.09Å
8E67.1Low72.6Confident167 Ų167110.2 Ų110.278%0.7860%0.603SS**THydrogen-bonded Turntrans-81.2-23.4-177.2-146.8176.2-158.300112.4D5 I6 G10D5-E8 HydrophobicContact CB-CB 4.2Å; D5-E8 WeakPolarHBondContact O-CB 3.35Å; D5-E8 PolarHBondContact O-N 3.06Å; I6-E8 VanDerWaalsContact C-N 3.31Å; E8-G10 PolarHBondContact O-N 3.18Å
9L69.2Low73.6Confident83 Ų83110.6 Ų110.644%0.43560%0.604SS.*THydrogen-bonded Turntrans-69.8-10.9-179.6-107.276.5000114.2L4 I11L4-L9 HydrophobicContact CD2-CD1 4.19Å; L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 4.11Å; L9-I11 HydrophobicContact CD2-CD1 3.56Å; L9-I11 HydrophobicContact CD2-CG1 4.49Å; L9-I11 HydrophobicContact CG-CD1 4.26Å; L9-I11 PolarHBondContact O-N 3.35Å
10G77Confident74.4Confident75 Ų75112.1 Ų112.177%0.77361%0.605SS**THydrogen-bonded Turntrans61.615.4-178.200000114.3E8E8-G10 PolarHBondContact O-N 3.18Å
11I79Confident75.1Confident59 Ų59108.1 Ų108.130%0.30358%0.583SS.*  trans-87.7133.9-176.9-68.1175.3000109.9L9 L15L9-I11 HydrophobicContact CB-CD1 4.07Å; L9-I11 HydrophobicContact CB-CG1 4.11Å; L9-I11 HydrophobicContact CD2-CD1 3.56Å; L9-I11 HydrophobicContact CD2-CG1 4.49Å; L9-I11 HydrophobicContact CG-CD1 4.26Å; L9-I11 PolarHBondContact O-N 3.35Å; I11-L15 HydrophobicContact CG2-CB 3.95Å; I11-L15 HydrophobicContact CG2-CD2 4.03Å; I11-L15 HydrophobicContact CG2-CG 4.11Å
12S86.1Confident77.2Confident68 Ų68105.1 Ų105.148%0.47656%0.56SS.*  trans-63.3143.5175.872.50000111.6N14 L15 L16S12-N14 PolarHBondContact O-N 3.12Å; S12-N14 VanDerWaalsContact O-N 3.15Å; S12-L15 PolarHBondContact O-N 3.08Å; S12-L15 VanDerWaalsContact O-N 3.1Å; S12-L15 WeakPolarHBondContact OG-CB 3.37Å; S12-L15 PolarHBondContact OG-N 2.85Å; S12-L16 PolarHBondContact O-N 3.34Å; S12-L16 VanDerWaalsContact O-N 3.11Å
13K86.5Confident78.9Confident182 Ų182109.9 Ų109.979%0.79156%0.563SS**Hα-helixtrans-54.9-34176.3-70.8-176.9178.7179.50112.5L16 Q17K13-L16 PolarHBondContact O-N 2.93Å; K13-Q17 WeakPolarHBondContact O-CG 3.42Å; K13-Q17 PolarHBondContact O-N 2.78Å; K13-Q17 VanDerWaalsContact O-N 3.12Å
14N87.2Confident80.4Confident117 Ų117104.9 Ų104.963%0.62654%0.538SS*.Hα-helixtrans-67.2-45.2178.2-169.29.1000111.8S12 L16 Q17 M18S12-N14 PolarHBondContact O-N 3.12Å; S12-N14 VanDerWaalsContact O-N 3.15Å; N14-L16 VanDerWaalsContact C-N 3.27Å; N14-L16 PolarHBondContact O-N 3.42Å; N14-Q17 WeakPolarHBondContact O-CB 3.34Å; N14-Q17 PolarHBondContact O-N 3.42Å; N14-Q17 VanDerWaalsContact O-N 3.08Å; N14-M18 PolarHBondContact O-N 3.25Å
15L88.5Confident81.6Confident69 Ų69101.8 Ų101.836%0.36152%0.521SS..Hα-helixtrans-62.5-37.1176.5-176.357.9000111.5I11 S12 Q17 M18 M21I11-L15 HydrophobicContact CG2-CB 3.95Å; I11-L15 HydrophobicContact CG2-CD2 4.03Å; I11-L15 HydrophobicContact CG2-CG 4.11Å; S12-L15 PolarHBondContact O-N 3.08Å; S12-L15 VanDerWaalsContact O-N 3.1Å; S12-L15 WeakPolarHBondContact OG-CB 3.37Å; S12-L15 PolarHBondContact OG-N 2.85Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.46Å; L15-M18 HydrophobicContact CD1-SD 3.82Å; L15-M18 WeakPolarHBondContact O-CB 3.44Å; L15-M18 PolarHBondContact O-N 3.23Å; L15-M21 HydrophobicContact CD1-CE 4.42Å; L15-M21 HydrophobicContact CG-CE 4.5Å; L15-M21 WeakPolarHBondContact O-CB 3.15Å
16L85.8Confident82.7Confident48 Ų48100.5 Ų100.525%0.25152%0.517SS..Hα-helixtrans-66.5-28.9175.6-167.465000113.2I6 S12 K13 N14 M18 M21 L25I6-L16 HydrophobicContact CG2-CD2 3.57Å; S12-L16 PolarHBondContact O-N 3.34Å; S12-L16 VanDerWaalsContact O-N 3.11Å; K13-L16 PolarHBondContact O-N 2.93Å; N14-L16 VanDerWaalsContact C-N 3.27Å; N14-L16 PolarHBondContact O-N 3.42Å; L16-M18 VanDerWaalsContact C-N 3.31Å; L16-M21 HydrophobicContact CD1-CG 4.45Å; L16-L25 HydrophobicContact CD1-CD1 3.3Å
17Q87.9Confident83.7Confident124 Ų12497.8 Ų97.858%0.57951%0.512SS*.Hα-helixtrans-73.3-22175.9-74.9172.9-700112.9K13 N14 L15 N19K13-Q17 WeakPolarHBondContact O-CG 3.42Å; K13-Q17 PolarHBondContact O-N 2.78Å; K13-Q17 VanDerWaalsContact O-N 3.12Å; N14-Q17 WeakPolarHBondContact O-CB 3.34Å; N14-Q17 PolarHBondContact O-N 3.42Å; N14-Q17 VanDerWaalsContact O-N 3.08Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.46Å; Q17-N19 PolarHBondContact O-N 3.09Å
18M91.7Very high84.6Confident101 Ų10199.1 Ų99.150%0.49850%0.504SS..SBendtrans-64.3133.3178.6-65.7-174.364.700111.8N14 L15 L16 F20 M21 R22N14-M18 PolarHBondContact O-N 3.25Å; L15-M18 HydrophobicContact CD1-SD 3.82Å; L15-M18 WeakPolarHBondContact O-CB 3.44Å; L15-M18 PolarHBondContact O-N 3.23Å; L16-M18 VanDerWaalsContact C-N 3.31Å; M18-F20 PolarHBondContact O-N 3.45Å; M18-F20 VanDerWaalsContact O-N 3.16Å; M18-M21 PolarHBondContact O-N 3.17Å; M18-R22 PolarHBondContact O-N 3.16Å; M18-R22 VanDerWaalsContact O-N 3.15Å
19N92.4Very high85.3Confident118 Ų11895.8 Ų95.863%0.63149%0.489SS*.Hα-helixtrans-57-33.8-179.2-74.8-31.3000113.4Q17 R22 R23Q17-N19 PolarHBondContact O-N 3.09Å; N19-R22 PolarHBondContact O-N 2.93Å; N19-R23 WeakPolarHBondContact O-CG 3.35Å; N19-R23 PolarHBondContact O-N 3.24Å
20F89.3Confident85.8Confident140 Ų14098.6 Ų98.661%0.61450%0.497SS*.Hα-helixtrans-58-49.1173.8172-103.5000111.1M18 R22 R23 T24M18-F20 PolarHBondContact O-N 3.45Å; M18-F20 VanDerWaalsContact O-N 3.16Å; F20-R22 PolarHBondContact O-N 3.42Å; F20-R23 PolarHBondContact O-N 3.15Å; F20-R23 VanDerWaalsContact O-N 3.17Å; F20-T24 PolarHBondContact O-N 3.46Å; F20-T24 PolarHBondContact O-OG1 2.97Å
21M89Confident85.7Confident29 Ų2998.3 Ų98.314%0.14349%0.488CS..Hα-helixtrans-66.2-38.6-178.3-160.648.842.600112.4L15 L16 M18 R23 T24 L25L15-M21 HydrophobicContact CD1-CE 4.42Å; L15-M21 HydrophobicContact CG-CE 4.5Å; L15-M21 WeakPolarHBondContact O-CB 3.15Å; L16-M21 HydrophobicContact CD1-CG 4.45Å; M18-M21 PolarHBondContact O-N 3.17Å; M21-R23 VanDerWaalsContact C-N 3.35Å; M21-R23 PolarHBondContact O-N 2.98Å; M21-T24 PolarHBondContact O-N 3.03Å; M21-L25 WeakPolarHBondContact O-CG 3.48Å; M21-L25 PolarHBondContact O-N 3.33Å
22R87.7Confident85.4Confident138 Ų138100.9 Ų100.952%0.52151%0.507SS..Hα-helixtrans-57.6-45.9171.9-66.9-179.2175.7-178.5-3.6112M18 N19 F20 T24 L25 V26M18-R22 PolarHBondContact O-N 3.16Å; M18-R22 VanDerWaalsContact O-N 3.15Å; N19-R22 PolarHBondContact O-N 2.93Å; F20-R22 PolarHBondContact O-N 3.42Å; R22-T24 VanDerWaalsContact C-N 3.35Å; R22-T24 PolarHBondContact O-N 3.45Å; R22-L25 PolarHBondContact O-N 2.88Å; R22-V26 WeakPolarHBondContact O-CG2 3.27Å; R22-V26 PolarHBondContact O-N 3.07Å
23R88.2Confident84.3Confident202 Ų202102.9 Ų102.976%0.76251%0.512SS*.Hα-helixtrans-64.6-39.6177.6-68.1174.499.5-179.37.1111.5N19 F20 M21 A27N19-R23 WeakPolarHBondContact O-CG 3.35Å; N19-R23 PolarHBondContact O-N 3.24Å; F20-R23 PolarHBondContact O-N 3.15Å; F20-R23 VanDerWaalsContact O-N 3.17Å; M21-R23 VanDerWaalsContact C-N 3.35Å; M21-R23 PolarHBondContact O-N 2.98Å; R23-A27 VanDerWaalsContact O-CB 3.25Å; R23-A27 WeakPolarHBondContact O-CB 3.48Å; R23-A27 PolarHBondContact O-N 2.87Å
24T88.3Confident83Confident42 Ų42101.9 Ų101.926%0.25851%0.51SS..Hα-helixtrans-64-43.8177.1-53.20000112F20 M21 R22 A27 K28F20-T24 PolarHBondContact O-N 3.46Å; F20-T24 PolarHBondContact O-OG1 2.97Å; M21-T24 PolarHBondContact O-N 3.03Å; R22-T24 VanDerWaalsContact C-N 3.35Å; R22-T24 PolarHBondContact O-N 3.45Å; T24-A27 PolarHBondContact O-N 3.5Å; T24-K28 WeakPolarHBondContact O-CB 3.32Å; T24-K28 WeakPolarHBondContact O-CG 3.39Å; T24-K28 PolarHBondContact O-N 3.05Å
25L85.5Confident81.6Confident61 Ų6199.1 Ų99.132%0.31951%0.509SS..Hα-helixtrans-64.9-45.8178-73.2172.9000111.8L16 M21 R22 A27 K28 E29L16-L25 HydrophobicContact CD1-CD1 3.3Å; M21-L25 WeakPolarHBondContact O-CG 3.48Å; M21-L25 PolarHBondContact O-N 3.33Å; R22-L25 PolarHBondContact O-N 2.88Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 2.97Å; L25-K28 PolarHBondContact O-N 3.4Å; L25-E29 WeakPolarHBondContact O-CB 3.4Å; L25-E29 PolarHBondContact O-N 3.39Å
26V83Confident80.1Confident70 Ų70101.4 Ų101.442%0.42453%0.526SS..Hα-helixtrans-62.1-38.5175.1172.80000111.4R22 K30R22-V26 WeakPolarHBondContact O-CG2 3.27Å; R22-V26 PolarHBondContact O-N 3.07Å; V26-K30 HydrophobicContact CG1-CD 4.19Å; V26-K30 WeakPolarHBondContact O-CB 3.25Å; V26-K30 VanDerWaalsContact O-CG 3.27Å; V26-K30 WeakPolarHBondContact O-CG 3.44Å; V26-K30 PolarHBondContact O-N 3.19Å
27A83.9Confident78.7Confident58 Ų58103.6 Ų103.648%0.47954%0.543SS..Hα-helixtrans-66.7-40.3176.100000112.1R23 T24 L25 K30 A31R23-A27 VanDerWaalsContact O-CB 3.25Å; R23-A27 WeakPolarHBondContact O-CB 3.48Å; R23-A27 PolarHBondContact O-N 2.87Å; T24-A27 PolarHBondContact O-N 3.5Å; L25-A27 VanDerWaalsContact C-N 3.3Å; L25-A27 PolarHBondContact O-N 2.97Å; A27-K30 PolarHBondContact O-N 2.91Å; A27-A31 WeakPolarHBondContact O-CB 3.27Å; A27-A31 PolarHBondContact O-N 3.47Å
28K84.1Confident77.2Confident131 Ų131105.8 Ų105.857%0.5756%0.558SS**Hα-helixtrans-64.2-47.1174.5-77.6-175.3176-172.70111.3T24 L25 K30 A31 T32T24-K28 WeakPolarHBondContact O-CB 3.32Å; T24-K28 WeakPolarHBondContact O-CG 3.39Å; T24-K28 PolarHBondContact O-N 3.05Å; L25-K28 PolarHBondContact O-N 3.4Å; K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 3.39Å; K28-A31 WeakPolarHBondContact O-CB 3.35Å; K28-A31 PolarHBondContact O-N 3.48Å; K28-A31 VanDerWaalsContact O-N 3.08Å; K28-T32 PolarHBondContact O-N 2.91Å; K28-T32 PolarHBondContact O-OG1 2.89Å
29E80.4Confident75.6Confident96 Ų96107.8 Ų107.845%0.44957%0.57SS.*Hα-helixtrans-58.7-43.8176.7-176.4-178.6-174.800111.4L25 A31 T32 N33L25-E29 WeakPolarHBondContact O-CB 3.4Å; L25-E29 PolarHBondContact O-N 3.39Å; E29-A31 VanDerWaalsContact C-N 3.34Å; E29-A31 PolarHBondContact O-N 2.85Å; E29-T32 PolarHBondContact O-N 3.21Å; E29-N33 WeakPolarHBondContact CG-ND2 3.49Å; E29-N33 VanDerWaalsContact O-CB 3.27Å; E29-N33 WeakPolarHBondContact O-CB 3.39Å; E29-N33 VanDerWaalsContact O-CG 3.28Å; E29-N33 PolarHBondContact O-N 3.08Å; E29-N33 PolarHBondContact O-ND2 2.84Å
30K79.7Confident74Confident142 Ų142109 Ų10962%0.61758%0.575SS**Hα-helixtrans-65.9-34.5174.8-73.3179.7-179.8-171.80113.1V26 A27 K28 Q34V26-K30 HydrophobicContact CG1-CD 4.19Å; V26-K30 WeakPolarHBondContact O-CB 3.25Å; V26-K30 VanDerWaalsContact O-CG 3.27Å; V26-K30 WeakPolarHBondContact O-CG 3.44Å; V26-K30 PolarHBondContact O-N 3.19Å; A27-K30 PolarHBondContact O-N 2.91Å; K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 3.39Å; K30-Q34 PolarHBondContact O-N 3.33Å
31A76.4Confident72.4Confident69 Ų69107.7 Ų107.757%0.5758%0.581SS**Hα-helixtrans-70.4-38.3176.600000111.8A27 K28 E29A27-A31 WeakPolarHBondContact O-CB 3.27Å; A27-A31 PolarHBondContact O-N 3.47Å; K28-A31 WeakPolarHBondContact O-CB 3.35Å; K28-A31 PolarHBondContact O-N 3.48Å; K28-A31 VanDerWaalsContact O-N 3.08Å; E29-A31 VanDerWaalsContact C-N 3.34Å; E29-A31 PolarHBondContact O-N 2.85Å
32T73Confident70.8Confident114 Ų114109.4 Ų109.470%0.69959%0.591SS**Hα-helixtrans-74.2-35.2177.2-46.90000112.1K28 E29 Q34K28-T32 PolarHBondContact O-N 2.91Å; K28-T32 PolarHBondContact O-OG1 2.89Å; E29-T32 PolarHBondContact O-N 3.21Å; T32-Q34 VanDerWaalsContact C-N 3.27Å; T32-Q34 PolarHBondContact O-N 3Å
33N62.4Low69.4Low110 Ų110108.1 Ų108.159%0.58860%0.603SS**THydrogen-bonded Turntrans-83.67.4178.6-67.8-30.8000114.1E29 G35E29-N33 WeakPolarHBondContact CG-ND2 3.49Å; E29-N33 VanDerWaalsContact O-CB 3.27Å; E29-N33 WeakPolarHBondContact O-CB 3.39Å; E29-N33 VanDerWaalsContact O-CG 3.28Å; E29-N33 PolarHBondContact O-N 3.08Å; E29-N33 PolarHBondContact O-ND2 2.84Å; N33-G35 PolarHBondContact O-N 3.39Å
34Q59.1Low68Low161 Ų161106.5 Ų106.575%0.75260%0.604SS**  trans-73.765.4156.4-70.6-165.23.800108.5K30 T32 V36K30-Q34 PolarHBondContact O-N 3.33Å; T32-Q34 VanDerWaalsContact C-N 3.27Å; T32-Q34 PolarHBondContact O-N 3Å; Q34-V36 PolarHBondContact O-N 3.17Å; Q34-V36 VanDerWaalsContact O-N 3.17Å
35G56.6Low66.5Low59 Ų59110.8 Ų110.861%0.60862%0.621SS**  trans-51.1123155.400000106.1N33N33-G35 PolarHBondContact O-N 3.39Å
36V56.9Low65Low116 Ų116117.6 Ų117.670%0.70364%0.644SS**  trans-37.1128162.3177.30000106.2Q34 D38Q34-V36 PolarHBondContact O-N 3.17Å; Q34-V36 VanDerWaalsContact O-N 3.17Å; V36-D38 PolarHBondContact O-N 3.48Å
37P57.7Low64.1Low95 Ų95116.9 Ų116.962%0.61765%0.651SS**  trans-53.6113.3173.822.7-30.8000106.2I39P37-I39 CarbonylContact O-C 3.28Å; P37-I39 VanDerWaalsContact O-C 3.28Å; P37-I39 PolarHBondContact O-N 2.83Å
38D56Low63.6Low169 Ų169121.6 Ų121.690%0.90466%0.661SS**SBendtrans-60.3-0.9175.9-96.9-15.5000111.9V36 L40V36-D38 PolarHBondContact O-N 3.48Å; D38-L40 PolarHBondContact O-N 2.81Å; D38-L40 VanDerWaalsContact O-N 3.1Å
39I58.6Low63.3Low143 Ų143124.9 Ų124.973%0.73368%0.675SS**  trans-80.271160.5-41.5171.3000107.9P37P37-I39 CarbonylContact O-C 3.28Å; P37-I39 VanDerWaalsContact O-C 3.28Å; P37-I39 PolarHBondContact O-N 2.83Å
40L57.7Low63.4Low144 Ų144123 Ų12375%0.75467%0.668SS**  trans-47.9131.5145.1-93.6153000105.7D38 N42D38-L40 PolarHBondContact O-N 2.81Å; D38-L40 VanDerWaalsContact O-N 3.1Å; L40-N42 PolarHBondContact O-N 2.8Å
41P57.2Low63.9Low112 Ų112120.1 Ų120.173%0.72766%0.664SS**  trans-62.297.617326-30.8000105.7S43P41-S43 VanDerWaalsContact C-N 3.25Å; P41-S43 PolarHBondContact O-N 3.1Å
42N55.5Low64.5Low66 Ų66120.6 Ų120.635%0.35366%0.663SS.*  trans-65.897.9-179.6-157.5-0.3000104.7L40 Q44 E45L40-N42 PolarHBondContact O-N 2.8Å; N42-Q44 PolarHBondContact O-N 2.69Å; N42-E45 HydrophobicContact CB-CB 4.05Å; N42-E45 HydrophobicContact CB-CG 3.89Å; N42-E45 VanDerWaalsContact ND2-CD 3.29Å; N42-E45 WeakPolarHBondContact ND2-CG 3.49Å; N42-E45 PolarHBondContact ND2-OE1 2.72Å; N42-E45 PolarHBondContact O-N 2.76Å
43S58.3Low65.3Low110 Ų110119.1 Ų119.177%0.76966%0.657SS**THydrogen-bonded Turntrans-61.6-13.3-175.655.80000111.4P41P41-S43 VanDerWaalsContact C-N 3.25Å; P41-S43 PolarHBondContact O-N 3.1Å
44Q57.9Low66.7Low168 Ų168116.5 Ų116.579%0.78565%0.645SS**THydrogen-bonded Turntrans-86.1-22.7172.4-79.9167.9-33.300114.9N42 Y46N42-Q44 PolarHBondContact O-N 2.69Å; Q44-Y46 PolarHBondContact O-N 3.42Å
45E56.7Low68.1Low133 Ų133113.7 Ų113.762%0.62163%0.632SS**THydrogen-bonded Turntrans-81.3-14.3-174.7-80.9175.3-164.100114.4N42N42-E45 HydrophobicContact CB-CB 4.05Å; N42-E45 HydrophobicContact CB-CG 3.89Å; N42-E45 VanDerWaalsContact ND2-CD 3.29Å; N42-E45 WeakPolarHBondContact ND2-CG 3.49Å; N42-E45 PolarHBondContact ND2-OE1 2.72Å; N42-E45 PolarHBondContact O-N 2.76Å
46Y54.9Low69.9Low203 Ų203118.3 Ų118.380%0.79664%0.635SS**THydrogen-bonded Turntrans-123.413.3-178.5-67-77.9000114.6Q44 F48Q44-Y46 PolarHBondContact O-N 3.42Å; Y46-F48 PolarHBondContact O-N 3.49Å
47G64Low71.6Confident56 Ų56120.7 Ų120.758%0.57763%0.632SS**  trans-79.355.3-179.900000114K49G47-K49 PolarHBondContact O-N 3.23Å; G47-K49 VanDerWaalsContact O-N 3.13Å
48F72.9Confident73.2Confident157 Ų157120.1 Ų120.169%0.68962%0.623SS**  trans-69.4112.2168.993.8-81.2000108.6Y46 L50Y46-F48 PolarHBondContact O-N 3.49Å; F48-L50 HydrophobicContact CD2-CD2 4.37Å; F48-L50 HydrophobicContact CD2-CG 4.18Å; F48-L50 HydrophobicContact CE2-CB 4.49Å; F48-L50 HydrophobicContact CE2-CD1 4.2Å; F48-L50 HydrophobicContact CE2-CD2 3.29Å; F48-L50 HydrophobicContact CE2-CG 3.34Å; F48-L50 HydrophobicContact CZ-CD1 3.87Å; F48-L50 HydrophobicContact CZ-CD2 3.65Å; F48-L50 HydrophobicContact CZ-CG 3.54Å; F48-L50 PolarHBondContact O-N 2.89Å
49K77.1Confident74.8Confident199 Ų199116.3 Ų116.387%0.86560%0.602SS**  trans-74.7111.3174.6-67.9-163.2179.4-174.80108.6G47G47-K49 PolarHBondContact O-N 3.23Å; G47-K49 VanDerWaalsContact O-N 3.13Å
50L82.4Confident76.4Confident58 Ų58116.6 Ų116.630%0.30460%0.598SS.*  trans-61.1134.7170.4-79.8157.5000109.4F48 S52 V54 E55 I58F48-L50 HydrophobicContact CD2-CD2 4.37Å; F48-L50 HydrophobicContact CD2-CG 4.18Å; F48-L50 HydrophobicContact CE2-CB 4.49Å; F48-L50 HydrophobicContact CE2-CD1 4.2Å; F48-L50 HydrophobicContact CE2-CD2 3.29Å; F48-L50 HydrophobicContact CE2-CG 3.34Å; F48-L50 HydrophobicContact CZ-CD1 3.87Å; F48-L50 HydrophobicContact CZ-CD2 3.65Å; F48-L50 HydrophobicContact CZ-CG 3.54Å; F48-L50 PolarHBondContact O-N 2.89Å; L50-S52 PolarHBondContact O-N 2.98Å; L50-V54 HydrophobicContact CD2-CB 4.08Å; L50-V54 HydrophobicContact CD2-CG1 3.61Å; L50-E55 HydrophobicContact CB-CB 4.39Å; L50-I58 HydrophobicContact CD1-CD1 4.11Å; L50-I58 HydrophobicContact CD2-CD1 4.26Å
51P90.7Very high77.8Confident80 Ų80117 Ų11752%0.51959%0.59SS.*  trans-55.9139.1166.4-23.433000109.9S53 V54 E55P51-S53 PolarHBondContact O-N 2.89Å; P51-V54 HydrophobicContact CB-CG2 4.18Å; P51-V54 HydrophobicContact CG-CG2 4.26Å; P51-V54 WeakPolarHBondContact O-CA 3.31Å; P51-V54 WeakPolarHBondContact O-CB 3.42Å; P51-V54 PolarHBondContact O-N 3.24Å; P51-E55 PolarHBondContact O-N 3.27Å; P51-E55 VanDerWaalsContact O-N 3.15Å
52S88.8Confident79.1Confident80 Ų80113.5 Ų113.556%0.55957%0.57SS**Hα-helixtrans-56-27.8-174.562.60000113.6L50 K56L50-S52 PolarHBondContact O-N 2.98Å; S52-K56 WeakPolarHBondContact O-CB 2.91Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.32Å; S52-K56 PolarHBondContact O-N 3.13Å; S52-K56 VanDerWaalsContact O-N 3.08Å
53S90.5Very high80.5Confident82 Ų82114.4 Ų114.457%0.57358%0.578SS**Hα-helixtrans-65.9-39173.559.50000113P51 R57P51-S53 PolarHBondContact O-N 2.89Å; S53-R57 WeakPolarHBondContact O-CB 3.48Å; S53-R57 PolarHBondContact O-N 2.88Å
54V90.7Very high81.7Confident56 Ų56113 Ų11334%0.33956%0.561SS.*Hα-helixtrans-73.7-44.2179.5-174.60000109.9L50 P51 K56 R57 I58L50-V54 HydrophobicContact CD2-CB 4.08Å; L50-V54 HydrophobicContact CD2-CG1 3.61Å; P51-V54 HydrophobicContact CB-CG2 4.18Å; P51-V54 HydrophobicContact CG-CG2 4.26Å; P51-V54 WeakPolarHBondContact O-CA 3.31Å; P51-V54 WeakPolarHBondContact O-CB 3.42Å; P51-V54 PolarHBondContact O-N 3.24Å; V54-K56 PolarHBondContact O-N 3.14Å; V54-R57 WeakPolarHBondContact O-CB 3.31Å; V54-R57 PolarHBondContact O-N 3.02Å; V54-R57 VanDerWaalsContact O-N 3.09Å; V54-I58 HydrophobicContact CG1-CD1 3.86Å; V54-I58 HydrophobicContact CG1-CG1 4.34Å; V54-I58 WeakPolarHBondContact O-CG1 3.19Å; V54-I58 PolarHBondContact O-N 3.2Å
55E90Very high82.5Confident102 Ų102110 Ų11048%0.47755%0.55SS.*Hα-helixtrans-60-46.5177.4-169.2176.4-169.700111.6L50 P51 R57 I58 N59L50-E55 HydrophobicContact CB-CB 4.39Å; P51-E55 PolarHBondContact O-N 3.27Å; P51-E55 VanDerWaalsContact O-N 3.15Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 2.7Å; E55-I58 PolarHBondContact O-N 3.09Å; E55-N59 WeakPolarHBondContact O-CB 2.95Å; E55-N59 VanDerWaalsContact O-CG 3.3Å; E55-N59 PolarHBondContact O-N 3.18Å; E55-N59 PolarHBondContact O-ND2 2.95Å
56K92.5Very high83.4Confident155 Ų155112 Ų11267%0.67456%0.556SS**Hα-helixtrans-57.3-40.2172.8-75.6176-177.4-178.50112.3S52 V54 K60S52-K56 WeakPolarHBondContact O-CB 2.91Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.32Å; S52-K56 PolarHBondContact O-N 3.13Å; S52-K56 VanDerWaalsContact O-N 3.08Å; V54-K56 PolarHBondContact O-N 3.14Å; K56-K60 WeakPolarHBondContact O-CB 3.44Å; K56-K60 PolarHBondContact O-N 3.28Å
57R93Very high84.2Confident166 Ų166106.3 Ų106.363%0.62655%0.547SS*.Hα-helixtrans-70.3-40.5179.6-167.7177.7-173.8-174.32.6112.3S53 V54 E55 R61S53-R57 WeakPolarHBondContact O-CB 3.48Å; S53-R57 PolarHBondContact O-N 2.88Å; V54-R57 WeakPolarHBondContact O-CB 3.31Å; V54-R57 PolarHBondContact O-N 3.02Å; V54-R57 VanDerWaalsContact O-N 3.09Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 2.7Å; R57-R61 PolarHBondContact O-N 3.39Å
58I91.3Very high84.3Confident84 Ų84108.8 Ų108.843%0.43154%0.541SS..Hα-helixtrans-63.4-48.6174.8-69.4169.3000109.4L50 V54 E55 K60 R61 A62L50-I58 HydrophobicContact CD1-CD1 4.11Å; L50-I58 HydrophobicContact CD2-CD1 4.26Å; V54-I58 HydrophobicContact CG1-CD1 3.86Å; V54-I58 HydrophobicContact CG1-CG1 4.34Å; V54-I58 WeakPolarHBondContact O-CG1 3.19Å; V54-I58 PolarHBondContact O-N 3.2Å; E55-I58 PolarHBondContact O-N 3.09Å; I58-K60 PolarHBondContact O-N 2.98Å; I58-R61 PolarHBondContact O-N 2.93Å; I58-R61 VanDerWaalsContact O-N 3.1Å; I58-A62 WeakPolarHBondContact O-CB 3.44Å; I58-A62 PolarHBondContact O-N 2.63Å
59N89.8Confident83.6Confident89 Ų89111.5 Ų111.548%0.47655%0.549SS..Hα-helixtrans-60.6-43.3179.2-73.1-22.5000111.9E55 R61 A62 T63E55-N59 WeakPolarHBondContact O-CB 2.95Å; E55-N59 VanDerWaalsContact O-CG 3.3Å; E55-N59 PolarHBondContact O-N 3.18Å; E55-N59 PolarHBondContact O-ND2 2.95Å; N59-R61 VanDerWaalsContact C-N 3.34Å; N59-R61 PolarHBondContact O-N 3.12Å; N59-A62 PolarHBondContact O-N 2.83Å; N59-T63 WeakPolarHBondContact O-CG2 3.35Å; N59-T63 PolarHBondContact O-N 3.15Å; N59-T63 PolarHBondContact O-OG1 3.19Å
60K91.8Very high82.7Confident148 Ų148110 Ų11064%0.64354%0.537SS*.Hα-helixtrans-62-38.3174.2-173175.1-177.9175.40112.8K56 I58 T63 I64K56-K60 WeakPolarHBondContact O-CB 3.44Å; K56-K60 PolarHBondContact O-N 3.28Å; I58-K60 PolarHBondContact O-N 2.98Å; K60-T63 PolarHBondContact O-OG1 3.43Å; K60-I64 HydrophobicContact CG-CD1 4.38Å; K60-I64 VanDerWaalsContact O-CD1 3.31Å; K60-I64 WeakPolarHBondContact O-CD1 3.35Å; K60-I64 VanDerWaalsContact O-CG1 3.24Å; K60-I64 WeakPolarHBondContact O-CG1 3.41Å; K60-I64 PolarHBondContact O-N 3.38Å
61R86.7Confident81.6Confident154 Ų154117 Ų11758%0.58156%0.561SS**Hα-helixtrans-70.4-40.7175-78.4-175.1173.2-170.1-1.2111.7R57 I58 N59 T63 I64 L65R57-R61 PolarHBondContact O-N 3.39Å; I58-R61 PolarHBondContact O-N 2.93Å; I58-R61 VanDerWaalsContact O-N 3.1Å; N59-R61 VanDerWaalsContact C-N 3.34Å; N59-R61 PolarHBondContact O-N 3.12Å; R61-T63 PolarHBondContact O-N 2.64Å; R61-I64 PolarHBondContact O-N 3.45Å; R61-L65 VanDerWaalsContact O-CG 3.31Å; R61-L65 WeakPolarHBondContact O-CG 3.36Å; R61-L65 PolarHBondContact O-N 3.19Å
62A85.7Confident79.9Confident37 Ų37121.1 Ų121.131%0.30657%0.574SS.*Hα-helixtrans-63.2-40.7178.600000111.7I58 N59 L65 K66I58-A62 WeakPolarHBondContact O-CB 3.44Å; I58-A62 PolarHBondContact O-N 2.63Å; N59-A62 PolarHBondContact O-N 2.83Å; A62-L65 PolarHBondContact O-N 3.01Å; A62-K66 WeakPolarHBondContact O-CB 3.4Å; A62-K66 WeakPolarHBondContact O-CG 3.47Å; A62-K66 PolarHBondContact O-N 3.1Å
63T85.1Confident78.3Confident85 Ų85126.9 Ų126.952%0.52159%0.589SS.*Hα-helixtrans-64.7-40175.453.60000112.3N59 K60 R61 L65 K66 S67N59-T63 WeakPolarHBondContact O-CG2 3.35Å; N59-T63 PolarHBondContact O-N 3.15Å; N59-T63 PolarHBondContact O-OG1 3.19Å; K60-T63 PolarHBondContact O-OG1 3.43Å; R61-T63 PolarHBondContact O-N 2.64Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 3.04Å; T63-K66 PolarHBondContact O-N 3.04Å; T63-S67 PolarHBondContact O-N 3.08Å; T63-S67 PolarHBondContact O-OG 3.29Å
64I83.1Confident76.7Confident81 Ų81128.8 Ų128.842%0.41560%0.597SS.*Hα-helixtrans-64.3-37.2174-65.6164.8000111.6K60 R61 S67 K68K60-I64 HydrophobicContact CG-CD1 4.38Å; K60-I64 VanDerWaalsContact O-CD1 3.31Å; K60-I64 WeakPolarHBondContact O-CD1 3.35Å; K60-I64 VanDerWaalsContact O-CG1 3.24Å; K60-I64 WeakPolarHBondContact O-CG1 3.41Å; K60-I64 PolarHBondContact O-N 3.38Å; R61-I64 PolarHBondContact O-N 3.45Å; I64-S67 PolarHBondContact O-OG 3.29Å; I64-S67 VanDerWaalsContact O-OG 3.07Å; I64-K68 PolarHBondContact O-N 2.77Å
65L75.9Confident75.4Confident106 Ų106133.1 Ų133.156%0.55561%0.611SS**Hα-helixtrans-74.1-36.3177.3-70.4172.8000111.9R61 A62 T63 K68R61-L65 VanDerWaalsContact O-CG 3.31Å; R61-L65 WeakPolarHBondContact O-CG 3.36Å; R61-L65 PolarHBondContact O-N 3.19Å; A62-L65 PolarHBondContact O-N 3.01Å; T63-L65 VanDerWaalsContact C-N 3.32Å; T63-L65 PolarHBondContact O-N 3.04Å; L65-K68 CarbonylContact O-C 3.5Å; L65-K68 PolarHBondContact O-N 3.28Å
66K74.7Confident74.1Confident173 Ų173131.3 Ų131.375%0.75261%0.61SS**Hα-helixtrans-65.4-38.3174.2-77.2-179.6179.9-175.40112.1A62 T63 K68A62-K66 WeakPolarHBondContact O-CB 3.4Å; A62-K66 WeakPolarHBondContact O-CG 3.47Å; A62-K66 PolarHBondContact O-N 3.1Å; T63-K66 PolarHBondContact O-N 3.04Å; K66-K68 VanDerWaalsContact C-N 3.31Å
67S71.1Confident73Confident85 Ų85128.7 Ų128.759%0.59460%0.602SS**Hα-helixtrans-74.2-21.9177.765.40000113.3T63 I64 Y69T63-S67 PolarHBondContact O-N 3.08Å; T63-S67 PolarHBondContact O-OG 3.29Å; I64-S67 PolarHBondContact O-OG 3.29Å; I64-S67 VanDerWaalsContact O-OG 3.07Å; S67-Y69 PolarHBondContact O-N 2.89Å
68K66Low71.8Confident108 Ų108125.4 Ų125.447%0.4759%0.593SS.*SBendtrans-93.492.5171.2-73.6-175.9177.9-178.30109.6I64 L65 K66 R70I64-K68 PolarHBondContact O-N 2.77Å; L65-K68 CarbonylContact O-C 3.5Å; L65-K68 PolarHBondContact O-N 3.28Å; K66-K68 VanDerWaalsContact C-N 3.31Å; K68-R70 HydrophobicContact CB-CG 4.18Å; K68-R70 PolarHBondContact O-N 2.88Å
69Y59.4Low70.6Confident214 Ų214128.7 Ų128.784%0.83960%0.604SS**  trans-54.282.3163.8-71.8-84.1000110.5S67S67-Y69 PolarHBondContact O-N 2.89Å
70R58.6Low69.6Low167 Ų167129.9 Ų129.963%0.6361%0.609SS**  trans-94.5-10.7-176.3-90.1-178.8166.3-172.4-6.6113.7K68K68-R70 HydrophobicContact CB-CG 4.18Å; K68-R70 PolarHBondContact O-N 2.88Å
71Y57.3Low68.7Low204 Ų204131.6 Ų131.680%0.861%0.613SS**  trans-136.594.5175.6-54.9-74.6000108.7F73Y71-F73 PolarHBondContact O-N 3.38Å
72Q55.3Low68.1Low168 Ų168131.5 Ų131.579%0.78562%0.624SS**  trans-74.1115.8151-74.3-177.90.200105.3V74Q72-V74 PolarHBondContact O-N 3.4Å
73F55.1Low67.6Low200 Ų200132.5 Ų132.588%0.87763%0.626SS**  trans-60.899.7160.6-78.9-85.2000106Y71 K75Y71-F73 PolarHBondContact O-N 3.38Å; F73-K75 PolarHBondContact O-N 3.27Å
74V57.5Low67.1Low123 Ų123132.5 Ų132.575%0.74563%0.63SS**  trans-54.6118.1170.3177.30000105.2Q72 S76Q72-V74 PolarHBondContact O-N 3.4Å; V74-S76 PolarHBondContact O-N 3.46Å
75K62.7Low66.4Low146 Ų146134.8 Ų134.864%0.63565%0.65SS**  trans-51.5130175.2-70178.5-178.5174.70106.5F73 I77F73-K75 PolarHBondContact O-N 3.27Å; K75-I77 PolarHBondContact O-N 3.19Å
76S64Low66.2Low64 Ų64133.7 Ų133.745%0.44867%0.665SS.*  trans-42.4133174.8173.30000109.6V74 F78 K79 L80V74-S76 PolarHBondContact O-N 3.46Å; S76-F78 PolarHBondContact O-N 3.27Å; S76-F78 VanDerWaalsContact OG-CD2 3.31Å; S76-F78 WeakPolarHBondContact OG-CD2 3.37Å; S76-F78 PolarHBondContact OG-N 3.1Å; S76-K79 WeakPolarHBondContact O-CA 3.4Å; S76-K79 WeakPolarHBondContact O-CB 3.24Å; S76-K79 PolarHBondContact O-N 3.41Å; S76-L80 PolarHBondContact O-N 2.88Å
77I68.9Low66Low101 Ų101127.7 Ų127.752%0.51864%0.644SS.*Hα-helixtrans-51.4-31.3176.354.4170.1000111.1K75 K79 L80 Y81K75-I77 PolarHBondContact O-N 3.19Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.85Å; I77-L80 WeakPolarHBondContact O-CB 3.45Å; I77-L80 PolarHBondContact O-N 2.8Å; I77-L80 VanDerWaalsContact O-N 3.08Å; I77-Y81 HydrophobicContact CB-CD2 4.44Å; I77-Y81 WeakPolarHBondContact O-CD2 3.39Å; I77-Y81 PolarHBondContact O-N 3.28Å
78F68Low66.1Low97 Ų97134.2 Ų134.243%0.42566%0.656SS.*Hα-helixtrans-61.7-32.3174.9-60.5-64000113.1S76 N82 V83S76-F78 PolarHBondContact O-N 3.27Å; S76-F78 VanDerWaalsContact OG-CD2 3.31Å; S76-F78 WeakPolarHBondContact OG-CD2 3.37Å; S76-F78 PolarHBondContact OG-N 3.1Å; F78-N82 PolarHBondContact O-N 2.85Å; F78-N82 VanDerWaalsContact O-N 3.1Å; F78-V83 HydrophobicContact CB-CB 4.34Å; F78-V83 HydrophobicContact CB-CG2 4.48Å; F78-V83 HydrophobicContact CD1-CB 3.85Å; F78-V83 HydrophobicContact CD1-CG1 4.35Å; F78-V83 HydrophobicContact CD1-CG2 3.93Å; F78-V83 PolarHBondContact O-N 3.06Å
79K66.4Low66.1Low152 Ų152135.4 Ų135.466%0.66166%0.663SS**Hα-helixtrans-79.6-25.5175.5-161.8169.3-171.4171.10112.7S76 I77S76-K79 WeakPolarHBondContact O-CA 3.4Å; S76-K79 WeakPolarHBondContact O-CB 3.24Å; S76-K79 PolarHBondContact O-N 3.41Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.85Å
80L68.2Low66.4Low114 Ų114127.5 Ų127.560%0.59764%0.639SS**Hα-helixtrans-72.2-36.2172.3-81.3147.2000111.5S76 I77S76-L80 PolarHBondContact O-N 2.88Å; I77-L80 WeakPolarHBondContact O-CB 3.45Å; I77-L80 PolarHBondContact O-N 2.8Å; I77-L80 VanDerWaalsContact O-N 3.08Å
81Y73.5Confident66.6Low185 Ų185127.1 Ų127.173%0.72564%0.642SS**THydrogen-bonded Turntrans-103.411.5-176.7-63.9-70.3000114.7I77 V83I77-Y81 HydrophobicContact CB-CD2 4.44Å; I77-Y81 WeakPolarHBondContact O-CD2 3.39Å; I77-Y81 PolarHBondContact O-N 3.28Å; Y81-V83 PolarHBondContact O-N 3.32Å
82N73.2Confident66.7Low151 Ų151121 Ų12181%0.80764%0.642SS**THydrogen-bonded Turntrans47.741.7-177.6-75-14.1000114F78F78-N82 PolarHBondContact O-N 2.85Å; F78-N82 VanDerWaalsContact O-N 3.1Å
83V74.8Confident67Low58 Ų58115.7 Ų115.735%0.35263%0.632SS.*PPolyproline II helixtrans-81132.9-177.7-153.80000109.7F78 Y81 S87F78-V83 HydrophobicContact CB-CB 4.34Å; F78-V83 HydrophobicContact CB-CG2 4.48Å; F78-V83 HydrophobicContact CD1-CB 3.85Å; F78-V83 HydrophobicContact CD1-CG1 4.35Å; F78-V83 HydrophobicContact CD1-CG2 3.93Å; F78-V83 PolarHBondContact O-N 3.06Å; Y81-V83 PolarHBondContact O-N 3.32Å; V83-S87 WeakPolarHBondContact CG1-OG 3.34Å
84S75.1Confident67.3Low85 Ų85113.8 Ų113.859%0.59462%0.623SS**PPolyproline II helixtrans-57.8137.2179.5-172.80000111.1G86 S87S84-G86 PolarHBondContact O-N 3.09Å; S84-S87 WeakPolarHBondContact O-CB 3.44Å; S84-S87 PolarHBondContact O-N 3.17Å; S84-S87 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-OG 2.97Å
85P69.6Low67.4Low130 Ų130114.1 Ų114.184%0.84462%0.621SS**THydrogen-bonded Turntrans-53.9131.6173.622.8-32.6000110.6
86G71Confident67.2Low83 Ų83110.1 Ų110.186%0.85661%0.611SS**THydrogen-bonded Turntrans95-3.9-176.600000115.2S84 R88S84-G86 PolarHBondContact O-N 3.09Å; G86-R88 PolarHBondContact O-N 3.37Å
87S70.4Confident66.6Low46 Ų46113.7 Ų113.732%0.32263%0.633SS.*  trans-64.2126.317158.90000111.8V83 S84V83-S87 WeakPolarHBondContact CG1-OG 3.34Å; S84-S87 WeakPolarHBondContact O-CB 3.44Å; S84-S87 PolarHBondContact O-N 3.17Å; S84-S87 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-OG 2.97Å
88R73.7Confident65.9Low223 Ų223113 Ų11384%0.84263%0.633SS**  trans-115.2116.8172.8-177.9175.3177.5170.6-0.7109G86G86-R88 PolarHBondContact O-N 3.37Å
89E64.7Low64.7Low133 Ų133115.3 Ų115.362%0.62165%0.65SS**  trans-70.6136.6169.5-169.7175.9-173.700109.3F91E89-F91 HydrophobicContact CG-CZ 4.47Å
90S65.8Low63.9Low47 Ų47112 Ų11233%0.32965%0.651SS.*  trans-106.7120.9173.460.10000109.8F94S90-F94 WeakPolarHBondContact CB-O 3.42Å; S90-F94 PolarHBondContact OG-O 3.08Å
91F62.7Low62.9Low159 Ų159113 Ų11370%0.69766%0.657SS**G310 helixtrans-83.9133.7178.2-66.6-81.1000110.3E89E89-F91 HydrophobicContact CG-CZ 4.47Å
92G59.6Low61.5Low77 Ų77110.8 Ų110.879%0.79466%0.663SS**G310 helixtrans77.831.716800000116F94G92-F94 PolarHBondContact O-N 3.47Å
93G62.7Low60.2Low56 Ų56109.2 Ų109.258%0.57765%0.654SS**G310 helixtrans76.81.617600000115.1S96G93-S96 PolarHBondContact O-N 3.03Å
94F61.3Low58.7Low160 Ų160110.7 Ų110.770%0.70266%0.664SS**THydrogen-bonded Turntrans-62.8146.4165.4-80.9-85.8000109.6S90 G92 S96S90-F94 WeakPolarHBondContact CB-O 3.42Å; S90-F94 PolarHBondContact OG-O 3.08Å; G92-F94 PolarHBondContact O-N 3.47Å; F94-S96 PolarHBondContact O-N 3.45Å
95N58.8Low57.5Low129 Ų129117.4 Ų117.469%0.6968%0.683SS**THydrogen-bonded Turntrans50.336.3-174.5-57.3-16.7000114
96S58.4Low56.6Low63 Ų63116 Ų11644%0.44168%0.676SS.*  trans-55.7134.916452.70000108G93 F94 T98G93-S96 PolarHBondContact O-N 3.03Å; F94-S96 PolarHBondContact O-N 3.45Å; S96-T98 PolarHBondContact O-N 3.36Å; S96-T98 PolarHBondContact O-OG1 2.82Å; S96-T98 PolarHBondContact OG-OG1 3.37Å
97P52.8Low55.5Low138 Ų138120.1 Ų120.190%0.89667%0.673SS**  trans-67.982.8172.328.9-32.4000106.8
98T52.7Low54.4Low86 Ų86124.2 Ų124.253%0.52870%0.696SS.*  trans-121.2113179.88.80000107.3S96S96-T98 PolarHBondContact O-N 3.36Å; S96-T98 PolarHBondContact O-OG1 2.82Å; S96-T98 PolarHBondContact OG-OG1 3.37Å
99N43.1Very low53Low147 Ų147121 Ų12179%0.78670%0.695SS**SBendtrans92.2131.4159.5-44.2-36.3000114.9
100A50.4Low52.1Low82 Ų82122 Ų12268%0.67871%0.705SS**  trans58.996138.900000114.9
101D46.8Very low50.7Low135 Ų135125 Ų12572%0.72273%0.725SS**  -146114.754-65.4-44.6000111.6I103D101-I103 HydrophobicContact CB-CG1 3.74Å; D101-I103 PolarHBondContact O-N 3.26Å
102T43.8Very low49.9Very low138 Ų138123.1 Ų123.185%0.84773%0.729SS**  trans-6481.9145.5-52.50000106.8P104T102-P104 VanDerWaalsContact O-CD 3.31Å; T102-P104 WeakPolarHBondContact O-CD 3.31Å
103I45.5Very low49Very low119 Ų119125.9 Ų125.961%0.6173%0.726SS**  trans-67.2116.9161-57.6-178.9000105D101 K105D101-I103 HydrophobicContact CB-CG1 3.74Å; D101-I103 PolarHBondContact O-N 3.26Å; I103-K105 PolarHBondContact O-N 2.94Å
104P43.7Very low47.9Very low88 Ų88126.8 Ų126.857%0.57172%0.724SS**  trans-59.4138.5175.9-12.125.4000108.2T102 S106T102-P104 VanDerWaalsContact O-CD 3.31Å; T102-P104 WeakPolarHBondContact O-CD 3.31Å; P104-S106 PolarHBondContact O-N 3.26Å
105K50.1Low46.9Very low227 Ų227130 Ų13099%0.98773%0.731SS**THydrogen-bonded Turntrans-64.430.6-179.2-72.5-179170.71790114.7I103I103-K105 PolarHBondContact O-N 2.94Å
106S51.8Low46.3Very low99 Ų99132.4 Ų132.469%0.69274%0.743SS**THydrogen-bonded Turntrans-1176.9-172.760.30000115.7P104P104-S106 PolarHBondContact O-N 3.26Å
107Q46.8Very low45.6Very low171 Ų171134.6 Ų134.680%0.79976%0.755SS**SBendtrans-136.814.6-170.4-116.6-174.93.900119.6
108V47.3Very low44.9Very low132 Ų132135.5 Ų135.580%0.875%0.753SS**  trans-127.673171.6-166.80000110.7N110V108-N110 PolarHBondContact O-N 3.39Å
109N43.7Very low44.5Very low154 Ų154143 Ų14382%0.82477%0.771SS**  trans-73.5112.1154.1-72.3-23.6000107.1
110N45.7Very low44.5Very low156 Ų156141.9 Ų141.983%0.83477%0.765SS**  trans170.298.3142-80-28.8000108.5V108V108-N110 PolarHBondContact O-N 3.39Å
111S37.7Very low44.1Very low108 Ų108145.4 Ų145.476%0.75577%0.773SS**  trans-69.1144.9160.2-168.90000108.6
112P45.4Very low44.1Very low120 Ų120144.2 Ų144.278%0.77978%0.775SS**  -139.9129.290.128.1-8.4000111.9
113D39.6Very low43.9Very low135 Ų135144 Ų14472%0.72277%0.774SS**  85.8124.587.2-159.414.7000114.3
114S40.5Very low43.6Very low76 Ų76143.3 Ų143.353%0.53178%0.778SS.*  trans74.3112.7151.373.60000121.2
115R40.4Very low43.5Very low228 Ų228148.3 Ų148.386%0.8679%0.794SS**  trans67.193.9132.3-56.9171.7-148.3-164.66.7117.4
116L45Very low43.2Very low178 Ų178147.2 Ų147.293%0.93279%0.785SS**  trans-98.5120.5145.5-71.1178.4000109.1
117P45.3Very low42.9Very low109 Ų109148 Ų14871%0.70879%0.79SS**  trans-81.7152.7178.833.6-31.7000111R119P117-R119 PolarHBondContact O-N 3.32Å
118N38.5Very low43Very low157 Ų157149.1 Ų149.184%0.8480%0.796SS**  trans-36.8120.5158.3-101.8-30.5000110.7
119R43.8Very low43Very low244 Ų244148.2 Ų148.292%0.92180%0.795SS**  trans-133.898.3160.1-142.6-176.2-174.4-169.61.1109.7P117P117-R119 PolarHBondContact O-N 3.32Å
120D42.6Very low43.2Very low124 Ų124150 Ų15066%0.66380%0.796SS**  trans-48.8142.6163.2-63.7-61.3000111.5
121N42.3Very low43.7Very low155 Ų155150.7 Ų150.783%0.82980%0.8SS**  trans58.692.6150.3-56.1-28.9000118
122S46.1Very low44.5Very low111 Ų111147.4 Ų147.478%0.77678%0.782SS**  trans-155.1111.6141.262.50000112.3
123V40.8Very low45Very low134 Ų134153.7 Ų153.781%0.81279%0.79SS**  trans48.2113.7136.8-171.70000117.5E125V123-E125 PolarHBondContact O-N 3.43Å; V123-E125 VanDerWaalsContact O-N 3.14Å
124C38.2Very low45.9Very low104 Ų104150.9 Ų150.970%0.70379%0.786SS**  trans-64.5100.8170.5-157.30000110.7Y126C124-Y126 PolarHBondContact O-N 3.22Å; C124-Y126 WeakPolarHBondContact SG-CD2 3.31Å; C124-Y126 VanDerWaalsContact SG-CE2 3.53Å
125E42.7Very low46.6Very low192 Ų192151 Ų15190%0.89779%0.787SS**  trans-80.990.2162-83.6-173.1160.900109.1V123V123-E125 PolarHBondContact O-N 3.43Å; V123-E125 VanDerWaalsContact O-N 3.14Å
126Y43Very low47.5Very low204 Ų204149.3 Ų149.380%0.879%0.786SS**  trans-78.2118.7153.9-93.1-93.2000107.3C124C124-Y126 PolarHBondContact O-N 3.22Å; C124-Y126 WeakPolarHBondContact SG-CD2 3.31Å; C124-Y126 VanDerWaalsContact SG-CE2 3.53Å
127S45.2Very low48.1Very low116 Ų116145.4 Ų145.481%0.81177%0.77SS**  trans154.585.2143.1-66.80000110.5
128Q48.5Very low48.8Very low195 Ų195143.4 Ų143.491%0.91176%0.758SS**  trans-107.5111.5145.1-82.5-176.3-8.100106.9F130Q128-F130 PolarHBondContact O-N 3.37Å
129S48.3Very low49.5Very low112 Ų112141.1 Ų141.178%0.78375%0.745SS**  trans-57.4115.3171.842.40000109.2
130F48.4Very low50Low192 Ų192139.8 Ų139.884%0.84274%0.74SS**  trans-91.3111.1175.5-150.3-95.5000108.2Q128 G132Q128-F130 PolarHBondContact O-N 3.37Å; F130-G132 PolarHBondContact O-N 3.3Å
131D54.6Low50.4Low171 Ų171142.1 Ų142.191%0.91474%0.744SS**  trans-7451.2170.4-79.1-38.5000111.2
132G54.6Low51Low38 Ų38144.2 Ų144.239%0.39274%0.741SS.*  trans-112.6127.1179.700000111.3F130 A134F130-G132 PolarHBondContact O-N 3.3Å; G132-A134 PolarHBondContact O-N 3.3Å
133R56.4Low51.3Low252 Ų252146.8 Ų146.895%0.95174%0.738SS**  trans-38118.6177.2-149.9178-165.5-171.85.3111.4S135R133-S135 PolarHBondContact O-N 3.5Å; R133-S135 VanDerWaalsContact O-N 3.12Å
134A58.8Low51.9Low77 Ų77148.8 Ų148.864%0.63674%0.736SS**  trans-53.6119.4-175.800000111.5G132G132-A134 PolarHBondContact O-N 3.3Å
135S55.4Low52.5Low79 Ų79152.1 Ų152.155%0.55274%0.741SS**  trans-65.4136.6177.6-157.70000109.9R133 T137 S138R133-S135 PolarHBondContact O-N 3.5Å; R133-S135 VanDerWaalsContact O-N 3.12Å; S135-T137 PolarHBondContact O-N 3.43Å; S135-S138 WeakPolarHBondContact O-CB 3.24Å; S135-S138 PolarHBondContact O-N 2.94Å
136K59.8Low53Low192 Ų192150.9 Ų150.984%0.83574%0.735SS**THydrogen-bonded Turntrans-55.9-17-175.6-69.4179.9177.9177.50113.6
137T57.8Low53.3Low95 Ų95151.9 Ų151.958%0.58374%0.738SS**THydrogen-bonded Turntrans-79.4-24.5175.951.50000114S135 I139 R140S135-T137 PolarHBondContact O-N 3.43Å; T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.26Å; T137-R140 PolarHBondContact O-N 3Å
138S58.3Low53.5Low68 Ų68155.4 Ų155.448%0.47674%0.739SS.*THydrogen-bonded Turntrans-66-30.3176.7159.80000112.6S135 R140 F141S135-S138 WeakPolarHBondContact O-CB 3.24Å; S135-S138 PolarHBondContact O-N 2.94Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 2.68Å; S138-F141 PolarHBondContact O-N 3.48Å
139I53.1Low53.4Low108 Ų108154.9 Ų154.955%0.55474%0.736SS**Hα-helixtrans-70.3-27.3-178-57.3171.7000111.6T137 F141 R142T137-I139 VanDerWaalsContact C-N 3.29Å; T137-I139 PolarHBondContact O-N 3.26Å; I139-F141 VanDerWaalsContact C-N 3.27Å; I139-F141 PolarHBondContact O-N 3.07Å; I139-R142 PolarHBondContact O-N 3.32Å
140R55.1Low53.2Low216 Ų216155.2 Ų155.282%0.81574%0.738SS**Hα-helixtrans-67.8-24.6-178.6-89.8-174.9174.9-179.9-0.8113.5T137 S138T137-R140 PolarHBondContact O-N 3Å; S138-R140 VanDerWaalsContact C-N 3.3Å; S138-R140 PolarHBondContact O-N 2.68Å
141F50.9Low53.1Low173 Ų173155.7 Ų155.776%0.75974%0.74SS**Hα-helixtrans-89.6-23.6179.3-68.2-78.4000113.8S138 I139 K143S138-F141 PolarHBondContact O-N 3.48Å; I139-F141 VanDerWaalsContact C-N 3.27Å; I139-F141 PolarHBondContact O-N 3.07Å; F141-K143 VanDerWaalsContact C-N 3.25Å; F141-K143 PolarHBondContact O-N 3.48Å
142R55.5Low52.6Low200 Ų200157.1 Ų157.176%0.75574%0.738SS**Hα-helixtrans-67.3-25.4172.6-98.2-174.7-176.6176.42.4113.4I139 F144I139-R142 PolarHBondContact O-N 3.32Å; R142-F144 PolarHBondContact O-N 3.35Å
143K53.1Low52.4Low164 Ų164164.5 Ų164.571%0.71376%0.76SS**THydrogen-bonded Turntrans-76.2-2.3-175.1-126.5176.3-175.2177.60115F141F141-K143 VanDerWaalsContact C-N 3.25Å; F141-K143 PolarHBondContact O-N 3.48Å
144F51.4Low52.3Low177 Ų177159.3 Ų159.378%0.77675%0.751SS**THydrogen-bonded Turntrans-101.9-20.6-177.6-141.3-97.7000114.1R142R142-F144 PolarHBondContact O-N 3.35Å
145E52.4Low51.5Low173 Ų173161.3 Ų161.381%0.80876%0.757SS**THydrogen-bonded Turntrans-86-23.9178.2-76.4-169.3147.900114R147E145-R147 VanDerWaalsContact C-N 3.29Å; E145-R147 PolarHBondContact O-N 2.93Å
146E52.9Low51.5Low166 Ų166167.1 Ų167.178%0.77677%0.773SS**G310 helixtrans-78.4-4.1-178.3-73.8179.3168.500114.8K148E146-K148 PolarHBondContact O-N 3.48Å
147R48.1Very low51Low226 Ų226165.9 Ų165.985%0.85377%0.769SS**G310 helixtrans-88.88.2-179.2-76.4-170.5174.3-173.5-1.3115.2E145E145-R147 VanDerWaalsContact C-N 3.29Å; E145-R147 PolarHBondContact O-N 2.93Å
148K49.7Very low50.4Low190 Ų190171.7 Ų171.783%0.82678%0.781SS**G310 helixtrans-108.48.9-172.2-79.5-84.3-178.6169.30115.8E146E146-K148 PolarHBondContact O-N 3.48Å
149Q46.7Very low50.2Low184 Ų184179.9 Ų179.986%0.8680%0.801SS**SBendtrans-132.4144.7175.4-61-165.77.500112.2
150S43.7Very low50.2Low118 Ų118183.5 Ų183.583%0.82582%0.816SS**  trans88.763.2178.7-162.20000117.2
151K47.1Very low50.6Low203 Ų203183 Ų18388%0.88382%0.82SS**  trans-137.261146.5-72.5-153.6-179.8-170.90111.1
152F44.5Very low50.4Low200 Ų200184.7 Ų184.788%0.87783%0.827SS**  trans-146.197.6161.4-86.3-80.7000107.8
153K50.9Low50.6Low194 Ų194184.8 Ų184.884%0.84383%0.833SS**  trans177.5121.8139.4-98.4163-177.2-176.60111.5
154N53.3Low50.5Low142 Ų142186.8 Ų186.876%0.75984%0.841SS**  trans89.2102148.9-53.9-15.8000118.4
155P42.8Very low50.6Low120 Ų120190.2 Ų190.278%0.77987%0.866SS**  trans-82.8128.1149.133.4-24.2000108.3
156K53.7Low50.5Low200 Ų200191.1 Ų191.187%0.8787%0.869SS**  trans-176.5125.4152-102.9162.4-166.1-169.60113.3
157H49.5Very low50.3Low166 Ų166192.4 Ų192.477%0.76987%0.874SS**  trans72.6114.2143.6-91.7-49.3000123
158R46.1Very low50.5Low217 Ų217190.6 Ų190.682%0.81988%0.875SS**  75.4111.5115.5-164.2177-175.6174.40.8117.7
159R54.5Low50.5Low240 Ų240190.6 Ų190.691%0.90688%0.878SS**  -166.1115.9122.7-108.5168.3172.2178.2-2.3111.3
160E52Low50.8Low185 Ų185191 Ų19186%0.86488%0.879SS**  trans-57.9141161.5-65.7177.8145.800110.1
161K63Low51.2Low205 Ų205195.9 Ų195.989%0.89188%0.883SS**  trans-126108.1159-80-168.6176.2-179.80108.9
162K48.2Very low51.5Low208 Ų208195.4 Ų195.490%0.90488%0.883SS**  trans-63.8134.7155.3-81.5178.5169.3176.40109.9
163K59.2Low52.1Low203 Ų203195 Ų19588%0.88388%0.884SS**  trans-159.199.9149.7-97-174.4175.5-173.10104.9
164K50.8Low52.2Low206 Ų206195.1 Ų195.190%0.89689%0.887SS**  38.396.890.4-78.1-159.8178.7-170.30113.1
165L52.9Low52.1Low249 Ų249199.9 Ų199.9100%1.30490%0.899SS**  -140.70125.7-103.7156.7000106.7

Retrieved 165 of 165 residues in 33.8 ms (Link to these results)