A0A5K4F6C4_SCHMA Loading...

G-patch domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6C4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low48.3Very low228 Ų228138 Ų138100%1.12376%0.758SS**  096.50-154.9166.9143.700104.2
2V42.6Very low50.2Low147 Ų147135.3 Ų135.389%0.89174%0.742SS**  trans-97.7116.4-175.1-171.30000105D4V2-D4 PolarHBondContact O-N 3.36Å
3D39.5Very low52.8Low138 Ų138131.8 Ų131.874%0.73872%0.722SS**  trans-64.1118.7-178.1-67.8-55.9000109.9Q5D3-Q5 PolarHBondContact O-N 3Å; D3-Q5 VanDerWaalsContact O-N 3.08Å
4D44.1Very low55.3Low159 Ų159129.7 Ų129.785%0.8572%0.715SS**  trans-70.296172.9-151.49.5000106.9V2 T6V2-D4 PolarHBondContact O-N 3.36Å; D4-T6 PolarHBondContact O-N 2.9Å
5Q45.7Very low57.4Low180 Ų180124 Ų12484%0.84169%0.692SS**  trans-63.9105.5173.7-77.8-176.9-0.600108.1D3 L7D3-Q5 PolarHBondContact O-N 3Å; D3-Q5 VanDerWaalsContact O-N 3.08Å; Q5-L7 PolarHBondContact O-N 2.72Å
6T46.1Very low59.1Low135 Ų135119.2 Ų119.283%0.82866%0.659SS**  trans-39.8104.4168.545.40000110.7D4 S8D4-T6 PolarHBondContact O-N 2.9Å; T6-S8 VanDerWaalsContact C-N 3.32Å; T6-S8 PolarHBondContact O-N 3.06Å
7L43.8Very low60.8Low167 Ų167118.1 Ų118.187%0.87465%0.646SS**  trans-68.392.6173.6-145.9147.6000106.3Q5 D9Q5-L7 PolarHBondContact O-N 2.72Å; L7-D9 PolarHBondContact O-N 3.33Å
8S51.6Low62.4Low98 Ų98117.2 Ų117.269%0.68564%0.64SS**  trans-57.9122.7178.360.80000108.7T6T6-S8 VanDerWaalsContact C-N 3.32Å; T6-S8 PolarHBondContact O-N 3.06Å
9D55.7Low63.8Low110 Ų110114.3 Ų114.359%0.58862%0.622SS**  trans-51.8124.6176.9-133-22.3000108.3L7 L11 D12L7-D9 PolarHBondContact O-N 3.33Å; D9-L11 PolarHBondContact O-N 3.06Å; D9-D12 PolarHBondContact O-N 3.01Å
10P60.8Low64.9Low85 Ų85115.7 Ų115.755%0.55262%0.618SS**G310 helixtrans-57.3-17.4-17518.3-30.3000112.9D12 W16P10-D12 VanDerWaalsContact C-N 3.29Å; P10-D12 PolarHBondContact O-N 2.91Å; P10-W16 PolarHBondContact O-NE1 3.48Å
11L61.8Low66.1Low71 Ų71119.2 Ų119.237%0.37263%0.628SS.*G310 helixtrans-74.1-9.8177-66170.1000115.1D9 W16D9-L11 PolarHBondContact O-N 3.06Å; L11-W16 HydrophobicContact CD2-CD2 4.3Å; L11-W16 HydrophobicContact CD2-CE3 4.21Å
12D71.7Confident68.3Low105 Ų105114.4 Ų114.456%0.56161%0.605SS**G310 helixtrans-89-8.4-179.4-116.8-20.6000114.3D9 P10 K17D9-D12 PolarHBondContact O-N 3.01Å; P10-D12 VanDerWaalsContact C-N 3.29Å; P10-D12 PolarHBondContact O-N 2.91Å; D12-K17 PolarHBondContact O-NZ 3.38Å; D12-K17 WeakPolarHBondContact OD1-CE 3.46Å; D12-K17 IonicContact OD1-NZ 3.76Å; D12-K17 PolarHBondContact OD1-NZ 3.37Å
13D83.5Confident70.4Confident91 Ų91110.2 Ų110.249%0.48759%0.592SS.*SBendtrans-58.6138.7174-169-7.5000111.2A15 W16 K17D13-A15 PolarHBondContact O-N 3.46Å; D13-A15 PolarHBondContact OD1-N 2.68Å; D13-W16 HydrophobicContact CB-CB 4.39Å; D13-W16 WeakPolarHBondContact O-CB 3.43Å; D13-W16 PolarHBondContact O-N 3.37Å; D13-K17 PolarHBondContact O-N 2.9Å; D13-K17 VanDerWaalsContact O-N 3.13Å
14V88.4Confident72.6Confident102 Ų102105.3 Ų105.362%0.61856%0.563SS**Hα-helixtrans-55.6-38.5176.3178.10000110.2W16 K17 I18V14-W16 PolarHBondContact O-N 3.22Å; V14-K17 PolarHBondContact O-N 3.36Å; V14-I18 HydrophobicContact CG1-CD1 4.09Å; V14-I18 WeakPolarHBondContact O-CG1 3.43Å; V14-I18 PolarHBondContact O-N 2.64Å; V14-I18 VanDerWaalsContact O-N 3.08Å
15A86.7Confident74.4Confident44 Ų44103.9 Ų103.936%0.36455%0.551SS.*Hα-helixtrans-60.5-44.117700000112.1D13 K17 I18 M19D13-A15 PolarHBondContact O-N 3.46Å; D13-A15 PolarHBondContact OD1-N 2.68Å; A15-K17 PolarHBondContact O-N 2.86Å; A15-I18 PolarHBondContact O-N 3.49Å; A15-M19 WeakPolarHBondContact O-CG 3.39Å; A15-M19 PolarHBondContact O-N 3.2Å
16W84.9Confident76.1Confident47 Ų47102.5 Ų102.518%0.17855%0.545CS..Hα-helixtrans-64.2-37.9177.4-91.5107.5000113P10 L11 D13 V14 M19 R20 Y24 H26P10-W16 PolarHBondContact O-NE1 3.48Å; L11-W16 HydrophobicContact CD2-CD2 4.3Å; L11-W16 HydrophobicContact CD2-CE3 4.21Å; D13-W16 HydrophobicContact CB-CB 4.39Å; D13-W16 WeakPolarHBondContact O-CB 3.43Å; D13-W16 PolarHBondContact O-N 3.37Å; V14-W16 PolarHBondContact O-N 3.22Å; W16-M19 HydrophobicContact CD2-CE 3.89Å; W16-M19 HydrophobicContact CE3-CE 4.09Å; W16-M19 HydrophobicContact CG-CE 4.2Å; W16-M19 PolarHBondContact O-N 3.41Å; W16-R20 PolarHBondContact O-N 3.46Å; W16-Y24 HydrophobicContact CE3-CD1 4.48Å; W16-Y24 HydrophobicContact CE3-CE1 4.49Å; W16-Y24 HydrophobicContact CH2-CD1 4.38Å; W16-Y24 AromaticContact CH2-CE1 3.64Å; W16-Y24 HydrophobicContact CH2-CE1 3.64Å; W16-Y24 AromaticContact CZ3-CD1 3.74Å; W16-Y24 HydrophobicContact CZ3-CD1 3.74Å; W16-Y24 AromaticContact CZ3-CE1 3.46Å; W16-Y24 HydrophobicContact CZ3-CE1 3.46Å; W16-Y24 VanDerWaalsContact CZ3-CE1 3.46Å; W16-H26 HydrophobicContact CH2-CB 4.26Å; W16-H26 AromaticContact CH2-ND1 3.31Å; W16-H26 VanDerWaalsContact CH2-ND1 3.31Å; W16-H26 WeakPolarHBondContact CH2-ND1 3.17Å; W16-H26 AromaticContact CZ2-ND1 3.85Å; W16-H26 HydrophobicContact CZ3-CB 4.32Å
17K87.7Confident77.7Confident100 Ų10098.3 Ų98.344%0.43553%0.528SS..Hα-helixtrans-64.8-39.4175.4-72169.8179.4149.40111.8D12 D13 V14 A15 K21D12-K17 PolarHBondContact O-NZ 3.38Å; D12-K17 WeakPolarHBondContact OD1-CE 3.46Å; D12-K17 IonicContact OD1-NZ 3.76Å; D12-K17 PolarHBondContact OD1-NZ 3.37Å; D13-K17 PolarHBondContact O-N 2.9Å; D13-K17 VanDerWaalsContact O-N 3.13Å; V14-K17 PolarHBondContact O-N 3.36Å; A15-K17 PolarHBondContact O-N 2.86Å; K17-K21 PolarHBondContact O-N 2.77Å
18I89.8Confident79.5Confident103 Ų10394.6 Ų94.653%0.52851%0.506SS..Hα-helixtrans-65.7-45.8174.8-66.1167.1000110.7V14 A15 R20 K21 I22V14-I18 HydrophobicContact CG1-CD1 4.09Å; V14-I18 WeakPolarHBondContact O-CG1 3.43Å; V14-I18 PolarHBondContact O-N 2.64Å; V14-I18 VanDerWaalsContact O-N 3.08Å; A15-I18 PolarHBondContact O-N 3.49Å; I18-R20 PolarHBondContact O-N 2.96Å; I18-K21 WeakPolarHBondContact O-CB 3.15Å; I18-K21 PolarHBondContact O-N 3.21Å; I18-K21 VanDerWaalsContact O-N 3.1Å; I18-I22 PolarHBondContact O-N 3.08Å
19M87.4Confident81Confident62 Ų6290.2 Ų90.231%0.30548%0.476SS..Hα-helixtrans-59.2-44.9178.8-75.4-166.9-77.900112.1A15 W16 K21 I22 Y24A15-M19 WeakPolarHBondContact O-CG 3.39Å; A15-M19 PolarHBondContact O-N 3.2Å; W16-M19 HydrophobicContact CD2-CE 3.89Å; W16-M19 HydrophobicContact CE3-CE 4.09Å; W16-M19 HydrophobicContact CG-CE 4.2Å; W16-M19 PolarHBondContact O-N 3.41Å; M19-K21 VanDerWaalsContact C-N 3.29Å; M19-K21 PolarHBondContact O-N 3.23Å; M19-I22 WeakPolarHBondContact O-CG1 3.43Å; M19-I22 PolarHBondContact O-N 3.43Å; M19-Y24 HydrophobicContact CB-CD1 3.94Å; M19-Y24 HydrophobicContact CB-CG 4.2Å; M19-Y24 WeakPolarHBondContact O-CB 3.38Å; M19-Y24 PolarHBondContact O-N 3.07Å; M19-Y24 HydrophobicContact SD-CD1 4.2Å; M19-Y24 HydrophobicContact SD-CE1 4.39Å
20R86.6Confident82.3Confident142 Ų14289.5 Ų89.554%0.53647%0.472SS..Hα-helixtrans-62.3-35.7175.2-76.1-162.4-74.1177.2-8.1113W16 I18 I22 G23W16-R20 PolarHBondContact O-N 3.46Å; I18-R20 PolarHBondContact O-N 2.96Å; R20-I22 PolarHBondContact O-N 3.29Å; R20-G23 PolarHBondContact O-N 3.17Å
21K89.3Confident83.3Confident190 Ų19088.3 Ų88.383%0.82648%0.475SS*.Hα-helixtrans-65.3-26.1179.4-167.7175.3179.8-178.80113.1K17 I18 M19 G23K17-K21 PolarHBondContact O-N 2.77Å; I18-K21 WeakPolarHBondContact O-CB 3.15Å; I18-K21 PolarHBondContact O-N 3.21Å; I18-K21 VanDerWaalsContact O-N 3.1Å; M19-K21 VanDerWaalsContact C-N 3.29Å; M19-K21 PolarHBondContact O-N 3.23Å; K21-G23 VanDerWaalsContact C-N 3.35Å
22I87.5Confident84.2Confident127 Ų12791.9 Ų91.965%0.65150%0.5SS*.THydrogen-bonded Turntrans-92.17.217563.5168.4000113.3I18 M19 R20I18-I22 PolarHBondContact O-N 3.08Å; M19-I22 WeakPolarHBondContact O-CG1 3.43Å; M19-I22 PolarHBondContact O-N 3.43Å; R20-I22 PolarHBondContact O-N 3.29Å
23G86.3Confident84.7Confident59 Ų5992.2 Ų92.261%0.60850%0.502SS*.THydrogen-bonded Turntrans87.317177.800000114.9R20 K21R20-G23 PolarHBondContact O-N 3.17Å; K21-G23 VanDerWaalsContact C-N 3.35Å
24Y84.8Confident84.4Confident35 Ų3589.5 Ų89.514%0.13749%0.492CS..  trans-73.6130.5173.3-177.8-105.2000111.4W16 M19 Q28 L30W16-Y24 HydrophobicContact CE3-CD1 4.48Å; W16-Y24 HydrophobicContact CE3-CE1 4.49Å; W16-Y24 HydrophobicContact CH2-CD1 4.38Å; W16-Y24 AromaticContact CH2-CE1 3.64Å; W16-Y24 HydrophobicContact CH2-CE1 3.64Å; W16-Y24 AromaticContact CZ3-CD1 3.74Å; W16-Y24 HydrophobicContact CZ3-CD1 3.74Å; W16-Y24 AromaticContact CZ3-CE1 3.46Å; W16-Y24 HydrophobicContact CZ3-CE1 3.46Å; W16-Y24 VanDerWaalsContact CZ3-CE1 3.46Å; M19-Y24 HydrophobicContact CB-CD1 3.94Å; M19-Y24 HydrophobicContact CB-CG 4.2Å; M19-Y24 WeakPolarHBondContact O-CB 3.38Å; M19-Y24 PolarHBondContact O-N 3.07Å; M19-Y24 HydrophobicContact SD-CD1 4.2Å; M19-Y24 HydrophobicContact SD-CE1 4.39Å; Y24-Q28 WeakPolarHBondContact CE2-O 3.04Å; Y24-Q28 PolarHBondContact OH-O 2.68Å; Y24-L30 HydrophobicContact CD2-CD2 3.48Å; Y24-L30 VanDerWaalsContact CD2-CD2 3.48Å; Y24-L30 HydrophobicContact CD2-CG 4.32Å; Y24-L30 HydrophobicContact CE2-CD2 3.92Å; Y24-L30 HydrophobicContact CE2-CG 4.27Å; Y24-L30 HydrophobicContact CG-CD2 4.46Å
25E83.1Confident84.1Confident128 Ų12892.2 Ų92.260%0.59850%0.498SS*.  trans-106.9140.1172.3-63.4-168.1171.100110.5G27 Q28E25-G27 PolarHBondContact O-N 3.45Å; E25-Q28 HydrophobicContact CB-CB 4.3Å; E25-Q28 WeakPolarHBondContact O-CB 3.19Å; E25-Q28 PolarHBondContact O-N 3.03Å; E25-Q28 VanDerWaalsContact O-N 3.12Å
26H80.7Confident83.8Confident152 Ų15293.8 Ų93.870%0.70450%0.503SS*.THydrogen-bonded Turntrans-61127.7179.6-179.982.5000110.6W16 Q28W16-H26 HydrophobicContact CH2-CB 4.26Å; W16-H26 AromaticContact CH2-ND1 3.31Å; W16-H26 VanDerWaalsContact CH2-ND1 3.31Å; W16-H26 WeakPolarHBondContact CH2-ND1 3.17Å; W16-H26 AromaticContact CZ2-ND1 3.85Å; W16-H26 HydrophobicContact CZ3-CB 4.32Å; H26-Q28 VanDerWaalsContact C-N 3.34Å
27G79.9Confident83.8Confident47 Ų4796.5 Ų96.549%0.48552%0.524SS..THydrogen-bonded Turntrans88.7-5.2-17900000114.7E25E25-G27 PolarHBondContact O-N 3.45Å
28Q82.5Confident83.6Confident88 Ų8895.1 Ų95.141%0.41152%0.524SS..PPolyproline II helixtrans-93.3140.7176.1-165.5170.8-53.300110.7Y24 E25 H26 A34Y24-Q28 WeakPolarHBondContact CE2-O 3.04Å; Y24-Q28 PolarHBondContact OH-O 2.68Å; E25-Q28 HydrophobicContact CB-CB 4.3Å; E25-Q28 WeakPolarHBondContact O-CB 3.19Å; E25-Q28 PolarHBondContact O-N 3.03Å; E25-Q28 VanDerWaalsContact O-N 3.12Å; H26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-A34 HydrophobicContact CG-CB 3.4Å
29G81.1Confident83.3Confident6 Ų697.5 Ų97.56%0.06253%0.532CS..PPolyproline II helixtrans-68.4154.4170.700000111.3A34 V36G29-A34 WeakPolarHBondContact CA-O 3.42Å; G29-A34 VanDerWaalsContact O-CA 3.31Å; G29-A34 WeakPolarHBondContact O-CA 3.38Å; G29-V36 WeakPolarHBondContact CA-O 3.46Å
30L83Confident83Confident95 Ų95100.6 Ų100.650%0.49756%0.558SS.*SBendtrans-72.7161.3171.2-66.6171.8000111.6Y24 V36Y24-L30 HydrophobicContact CD2-CD2 3.48Å; Y24-L30 VanDerWaalsContact CD2-CD2 3.48Å; Y24-L30 HydrophobicContact CD2-CG 4.32Å; Y24-L30 HydrophobicContact CE2-CD2 3.92Å; Y24-L30 HydrophobicContact CE2-CG 4.27Å; Y24-L30 HydrophobicContact CG-CD2 4.46Å; L30-V36 HydrophobicContact CB-CB 4.25Å; L30-V36 HydrophobicContact CB-CG1 4.48Å; L30-V36 HydrophobicContact CB-CG2 4.48Å; L30-V36 VanDerWaalsContact O-CB 3.32Å; L30-V36 WeakPolarHBondContact O-CB 3.47Å; L30-V36 WeakPolarHBondContact O-CG2 3.3Å
31G82.4Confident83Confident60 Ų6099 Ų9962%0.61956%0.563SS**SBendtrans95.5168.1176.900000114.6N33 A34G31-N33 PolarHBondContact O-N 2.85Å; G31-A34 PolarHBondContact O-N 3.47Å
32V80.2Confident82.9Confident147 Ų14794.6 Ų94.689%0.89156%0.562SS**THydrogen-bonded Turntrans-54.2-32.2-170.2-1800000113.4
33N83.3Confident82.7Confident111 Ų11195.7 Ų95.759%0.59457%0.569SS**THydrogen-bonded Turntrans-118.115.9-176-61.9-23.8000112.9G31 H35G31-N33 PolarHBondContact O-N 2.85Å; N33-H35 WeakPolarHBondContact CB-CE1 3.31Å; N33-H35 WeakPolarHBondContact CB-ND1 3.14Å; N33-H35 PolarHBondContact O-N 3.42Å
34A77.7Confident82.3Confident34 Ų3498.8 Ų98.828%0.28158%0.581SS.*SBendtrans55.423.3179.200000116.8Q28 G29 G31 V36Q28-A34 HydrophobicContact CG-CB 3.4Å; G29-A34 WeakPolarHBondContact CA-O 3.42Å; G29-A34 VanDerWaalsContact O-CA 3.31Å; G29-A34 WeakPolarHBondContact O-CA 3.38Å; G31-A34 PolarHBondContact O-N 3.47Å; A34-V36 PolarHBondContact O-N 3.08Å
35H81.9Confident82.1Confident160 Ų160106.9 Ų106.974%0.74162%0.617SS**  trans-83.9-5.2-174.6-63.8127.9000114.9N33N33-H35 WeakPolarHBondContact CB-CE1 3.31Å; N33-H35 WeakPolarHBondContact CB-ND1 3.14Å; N33-H35 PolarHBondContact O-N 3.42Å
36V80.6Confident81.7Confident77 Ų77106.9 Ų106.947%0.46762%0.617SS.*SBendtrans-74.4146.8-178.7177.10000110.2G29 L30 A34 V38G29-V36 WeakPolarHBondContact CA-O 3.46Å; L30-V36 HydrophobicContact CB-CB 4.25Å; L30-V36 HydrophobicContact CB-CG1 4.48Å; L30-V36 HydrophobicContact CB-CG2 4.48Å; L30-V36 VanDerWaalsContact O-CB 3.32Å; L30-V36 WeakPolarHBondContact O-CB 3.47Å; L30-V36 WeakPolarHBondContact O-CG2 3.3Å; A34-V36 PolarHBondContact O-N 3.08Å; V36-V38 PolarHBondContact O-N 3.01Å
37V83.2Confident81.3Confident103 Ų103107 Ų10762%0.62462%0.615SS**  trans-54.1126.8179.6-166.50000110.4E39 V41V37-E39 WeakPolarHBondContact CG1-O 3.36Å; V37-V41 HydrophobicContact CG1-CG2 4.34Å
38V85Confident81.1Confident71 Ų71107.5 Ų107.543%0.4362%0.62SS.*SBendtrans-81.2-29.7-176.7-178.20000111.6V36V36-V38 PolarHBondContact O-N 3.01Å
39E82.7Confident80.6Confident153 Ų153112.4 Ų112.472%0.71564%0.635SS**SBendtrans-107.9145.1179.9-64.6-169.4158.700111.2V37 V41V37-E39 WeakPolarHBondContact CG1-O 3.36Å; E39-V41 PolarHBondContact O-N 2.94Å
40P81.6Confident80.1Confident128 Ų128114.3 Ų114.383%0.83165%0.647SS**PPolyproline II helixtrans-60131.3175.424.9-32.8000110.5A42P40-A42 PolarHBondContact O-N 3.08Å
41V86.4Confident79.6Confident109 Ų109112.3 Ų112.366%0.66165%0.649SS**PPolyproline II helixtrans-68.7119.5177-179.10000108.9V37 E39 L43V37-V41 HydrophobicContact CG1-CG2 4.34Å; E39-V41 PolarHBondContact O-N 2.94Å; V41-L43 PolarHBondContact O-N 2.94Å
42A86.2Confident79.2Confident96 Ų96117.7 Ų117.779%0.79366%0.663SS**PPolyproline II helixtrans-64.3120.617700000110.3P40P40-A42 PolarHBondContact O-N 3.08Å
43L83.5Confident79Confident151 Ų151114.3 Ų114.379%0.79166%0.658SS**PPolyproline II helixtrans-81.2142.5173.8-61.8178.8000110.4V41 K45V41-L43 PolarHBondContact O-N 2.94Å; L43-K45 PolarHBondContact O-N 3.06Å
44S79.2Confident78.1Confident124 Ų124112.6 Ų112.687%0.86766%0.655SS**PPolyproline II helixtrans-64.9124.2170.158.10000109.1Q46S44-Q46 PolarHBondContact O-N 2.96Å
45K79Confident77.5Confident205 Ų205116.5 Ų116.589%0.89168%0.675SS**  trans-84.5110.8175.2-66.2-175.3-179.7-1790108.5L43 K47L43-K45 PolarHBondContact O-N 3.06Å; K45-K47 PolarHBondContact O-N 3.23Å
46Q74.6Confident76.4Confident128 Ų128115.4 Ų115.460%0.59867%0.668SS**  trans-69122.9166.2-167.8-180-54.800108.2S44 G48S44-Q46 PolarHBondContact O-N 2.96Å; Q46-G48 WeakPolarHBondContact CG-O 3.29Å; Q46-G48 PolarHBondContact NE2-O 3.13Å
47K74.1Confident75.3Confident155 Ų155115.8 Ų115.867%0.67467%0.67SS**  trans-102109.1174.317970176.1178.10107.8K45 K56K45-K47 PolarHBondContact O-N 3.23Å; K47-K56 VanDerWaalsContact CB-NZ 3.31Å
48G74.4Confident73.8Confident56 Ų56118.4 Ų118.458%0.57769%0.687SS**SBendtrans75.3-159.3-176.700000112.7Q46 S50Q46-G48 WeakPolarHBondContact CG-O 3.29Å; Q46-G48 PolarHBondContact NE2-O 3.13Å; G48-S50 VanDerWaalsContact C-N 3.34Å; G48-S50 PolarHBondContact O-N 3.15Å
49R71.7Confident71.8Confident192 Ų192119.2 Ų119.273%0.72570%0.695SS**SBendtrans-96.640.6-179.7-6317064.5100.5-0.8112.3G51 D94R49-G51 PolarHBondContact O-N 3.11Å; R49-D94 IonicContact CZ-OD2 3.73Å; R49-D94 IonicContact NE-OD2 2.75Å; R49-D94 IonicContact NH1-OD2 3.87Å
50S70.8Confident69.9Low46 Ų46116.4 Ų116.432%0.32269%0.693SS.*PPolyproline II helixtrans-66127.1172.6-61.80000109.4G48G48-S50 VanDerWaalsContact C-N 3.34Å; G48-S50 PolarHBondContact O-N 3.15Å
51G73.2Confident68Low53 Ų53114.6 Ų114.655%0.54668%0.683SS.*PPolyproline II helixtrans-55.4148.5177.300000112R49 G53 S54R49-G51 PolarHBondContact O-N 3.11Å; G51-G53 PolarHBondContact O-N 3.09Å; G51-S54 WeakPolarHBondContact O-CB 3.44Å; G51-S54 PolarHBondContact O-N 3.31Å
52L74.4Confident66Low172 Ų172116.5 Ų116.590%0.90169%0.69SS**THydrogen-bonded Turntrans-55.2125.7174.7-67.5171.4000109.4
53G75.1Confident64Low76 Ų76121 Ų12178%0.78469%0.692SS**THydrogen-bonded Turntrans96-5.9-173.900000115.2G51 V55G51-G53 PolarHBondContact O-N 3.09Å; G53-V55 PolarHBondContact O-N 3.28Å
54S65.3Low62.1Low76 Ų76121.6 Ų121.653%0.53169%0.688SS.*  trans-7192.6171.8-1710000110.2G51 K56G51-S54 WeakPolarHBondContact O-CB 3.44Å; G51-S54 PolarHBondContact O-N 3.31Å; S54-K56 PolarHBondContact O-N 3.18Å
55V64Low60.7Low115 Ų115122.9 Ų122.970%0.69768%0.683SS**  trans-76.9118.8174.2-179.60000108.1G53 T57G53-V55 PolarHBondContact O-N 3.28Å; V55-T57 HydrophobicContact CG1-CG2 4.47Å; V55-T57 PolarHBondContact O-N 3.08Å
56K59.9Low59.2Low138 Ų138121.5 Ų121.560%0.668%0.68SS**  trans-65.190.1165.6-67.8-174.5177.8-166.60108.2K47 S54 T58K47-K56 VanDerWaalsContact CB-NZ 3.31Å; S54-K56 PolarHBondContact O-N 3.18Å; K56-T58 PolarHBondContact O-N 2.97Å
57T56.1Low58Low85 Ų85119.5 Ų119.552%0.52168%0.68SS.*  trans-65.6116.8166.451.60000106.4V55 S59 S60V55-T57 HydrophobicContact CG1-CG2 4.47Å; V55-T57 PolarHBondContact O-N 3.08Å; T57-S59 PolarHBondContact O-N 3.38Å; T57-S60 PolarHBondContact O-N 3.37Å; T57-S60 VanDerWaalsContact O-N 3.17Å
58T52.6Low56.9Low157 Ų157120.9 Ų120.996%0.96369%0.686SS**THydrogen-bonded Turntrans-66.110.6170.543.40000112.5K56K56-T58 PolarHBondContact O-N 2.97Å
59S42.5Very low56Low88 Ų88124.2 Ų124.262%0.61570%0.7SS**THydrogen-bonded Turntrans-118.244169.169.20000111.1T57 S61T57-S59 PolarHBondContact O-N 3.38Å; S59-S61 PolarHBondContact O-N 2.93Å
60S42.8Very low55.5Low95 Ų95117 Ų11766%0.66469%0.686SS**  trans-73.369.9158.8-166.30000107.4T57 D62T57-S60 PolarHBondContact O-N 3.37Å; T57-S60 VanDerWaalsContact O-N 3.17Å; S60-D62 PolarHBondContact O-N 3.5Å
61S41.3Very low55Low90 Ų90124.2 Ų124.263%0.62971%0.714SS**  trans-55.4123.714354.90000104S59 K63S59-S61 PolarHBondContact O-N 2.93Å; S61-K63 VanDerWaalsContact C-N 3.26Å; S61-K63 PolarHBondContact O-N 3.31Å
62D45.4Very low54.6Low148 Ų148128.8 Ų128.879%0.79173%0.726SS**  trans-38.196.9169.9-57.2-63.3000108.1S60 K64S60-D62 PolarHBondContact O-N 3.5Å; D62-K64 PolarHBondContact O-N 3.41Å
63K45Very low54Low192 Ų192130.2 Ų130.284%0.83572%0.721SS**  trans-70.779.9151.5-73.5-164.1-179.6-175.10101.2S61 I65S61-K63 VanDerWaalsContact C-N 3.26Å; S61-K63 PolarHBondContact O-N 3.31Å; K63-I65 PolarHBondContact O-N 2.99Å
64K43Very low53.6Low163 Ų163133.6 Ų133.671%0.70972%0.716SS**  trans-39.9101.8159.5177.4-178.2-178.3-1730102.1D62 E66D62-K64 PolarHBondContact O-N 3.41Å; K64-E66 VanDerWaalsContact C-N 3.27Å; K64-E66 PolarHBondContact O-N 3.44Å
65I50.2Low53.7Low150 Ų150131.2 Ų131.277%0.76970%0.699SS**  trans-45.7113.2161.8-63.8170.7000101K63 S67K63-I65 PolarHBondContact O-N 2.99Å; I65-S67 WeakPolarHBondContact O-CA 3.27Å; I65-S67 PolarHBondContact O-N 2.86Å; I65-S67 PolarHBondContact O-OG 2.91Å
66E47.3Very low54.2Low177 Ų177131.3 Ų131.383%0.82771%0.705SS**  trans-49.3105.2177.2-84.5-177.3152.200103.9K64 F68K64-E66 VanDerWaalsContact C-N 3.27Å; K64-E66 PolarHBondContact O-N 3.44Å; E66-F68 PolarHBondContact O-N 3.11Å
67S49.5Very low54.9Low85 Ų85127.7 Ų127.759%0.59469%0.692SS**  trans-60113.3-173.7-50.30000102.7I65 S69I65-S67 WeakPolarHBondContact O-CA 3.27Å; I65-S67 PolarHBondContact O-N 2.86Å; I65-S67 PolarHBondContact O-OG 2.91Å; S67-S69 PolarHBondContact O-N 3.16Å
68F50.5Low55.7Low185 Ų185133.4 Ų133.481%0.81170%0.704SS**  trans-49107.4-176-140.5-97.1000105.9E66 G70E66-F68 PolarHBondContact O-N 3.11Å; F68-G70 PolarHBondContact O-N 3.32Å
69S56Low56.9Low125 Ų125130 Ų13087%0.87468%0.68SS**  trans-85.61.9-174.466.30000111.8S67S67-S69 PolarHBondContact O-N 3.16Å
70G60.2Low58.5Low40 Ų40127.7 Ų127.741%0.41266%0.661SS.*SBendtrans-64.9151.7169.700000110.7F68 L72F68-G70 PolarHBondContact O-N 3.32Å; G70-L72 PolarHBondContact O-N 3.39Å
71E60.6Low60.1Low198 Ų198125.7 Ų125.793%0.92564%0.644SS**  trans-51.2114.2164-70.8179.2158.800107.3Y73E71-Y73 PolarHBondContact O-N 3.45Å; E71-Y73 VanDerWaalsContact O-N 3.16Å
72L64.6Low61.8Low150 Ų150129.4 Ų129.479%0.78565%0.645SS**  trans-52.8127.1171.2-75.7169.4000106.6G70 Q74G70-L72 PolarHBondContact O-N 3.39Å; L72-Q74 PolarHBondContact O-N 2.73Å
73Y63Low63.2Low202 Ų202124.9 Ų124.979%0.79262%0.619SS**  trans-55.2109.6175.8177.3-92000108.1E71E71-Y73 PolarHBondContact O-N 3.45Å; E71-Y73 VanDerWaalsContact O-N 3.16Å
74Q64.9Low64.5Low147 Ų147121.1 Ų121.169%0.68760%0.604SS**  trans-94.4125.8173.1-166.6170.610.100106.9L72 S76L72-Q74 PolarHBondContact O-N 2.73Å; Q74-S76 PolarHBondContact O-N 3.42Å
75S68.8Low65.6Low26 Ų26114.3 Ų114.318%0.18258%0.58CS.*  trans-47.7137.4172.11750000109.7N77S75-N77 CarbonylContact O-C 3.57Å; S75-N77 PolarHBondContact O-N 3.15Å; S75-N77 VanDerWaalsContact O-N 3.08Å; S75-N77 PolarHBondContact OG-N 3.11Å; S75-N77 PolarHBondContact OG-O 3.5Å
76S74.6Confident66.1Low117 Ų117112.6 Ų112.682%0.81858%0.58SS**SBendtrans-57.2-25.1173.6-46.10000111.5Q74Q74-S76 PolarHBondContact O-N 3.42Å
77N73.7Confident66.7Low62 Ų62107.9 Ų107.933%0.33256%0.561SS.*SBendtrans-89.8104.6170.7-170.6-15.7000109.9S75 N79 L80 M103S75-N77 CarbonylContact O-C 3.57Å; S75-N77 PolarHBondContact O-N 3.15Å; S75-N77 VanDerWaalsContact O-N 3.08Å; S75-N77 PolarHBondContact OG-N 3.11Å; S75-N77 PolarHBondContact OG-O 3.5Å; N77-N79 PolarHBondContact O-N 3.43Å; N77-N79 VanDerWaalsContact O-N 3.13Å; N77-N79 WeakPolarHBondContact OD1-CB 3.46Å; N77-N79 PolarHBondContact OD1-N 2.7Å; N77-N79 VanDerWaalsContact OD1-N 3.15Å; N77-L80 HydrophobicContact CB-CD1 3.66Å; N77-L80 HydrophobicContact CB-CG 4.08Å; N77-L80 PolarHBondContact O-N 2.9Å; N77-L80 VanDerWaalsContact O-N 3.09Å; N77-M103 WeakPolarHBondContact ND2-CE 3.21Å
78R73.9Confident67.1Low204 Ų204110.1 Ų110.177%0.7757%0.566SS**THydrogen-bonded Turntrans-62.1-18.6-179.5-69.2-173.1179-172.8-0.7114.2L80R78-L80 VanDerWaalsContact C-N 3.3Å
79N76.8Confident67.5Low85 Ų85105.4 Ų105.446%0.45555%0.549SS..THydrogen-bonded Turntrans-82.9-12.8-179.6-53.4-15000111.8N77 M103 E104N77-N79 PolarHBondContact O-N 3.43Å; N77-N79 VanDerWaalsContact O-N 3.13Å; N77-N79 WeakPolarHBondContact OD1-CB 3.46Å; N77-N79 PolarHBondContact OD1-N 2.7Å; N77-N79 VanDerWaalsContact OD1-N 3.15Å; N79-M103 HydrophobicContact CB-CE 4.03Å; N79-M103 HydrophobicContact CB-CG 3.52Å; N79-M103 HydrophobicContact CB-SD 3.91Å; N79-M103 CarbonylContact O-C 3.58Å; N79-M103 VanDerWaalsContact O-CA 3.29Å; N79-M103 WeakPolarHBondContact O-CA 3.36Å; N79-E104 PolarHBondContact O-N 2.75Å
80L75.9Confident67.5Low40 Ų40110.4 Ų110.421%0.20955%0.551CS.*EExtended strand (participates in β ladder)trans-86.1110.5176.6-70.5168.3000109.5N77 R78 W101 M103N77-L80 HydrophobicContact CB-CD1 3.66Å; N77-L80 HydrophobicContact CB-CG 4.08Å; N77-L80 PolarHBondContact O-N 2.9Å; N77-L80 VanDerWaalsContact O-N 3.09Å; R78-L80 VanDerWaalsContact C-N 3.3Å; L80-W101 HydrophobicContact CB-CH2 4.49Å; L80-W101 HydrophobicContact CB-CZ2 3.75Å; L80-W101 HydrophobicContact CD1-CH2 3.43Å; L80-W101 VanDerWaalsContact CD1-CH2 3.43Å; L80-W101 HydrophobicContact CD1-CZ2 3.47Å; L80-W101 VanDerWaalsContact CD1-CZ2 3.47Å; L80-W101 HydrophobicContact CD1-CZ3 4.25Å; L80-W101 HydrophobicContact CD2-CE3 4.49Å; L80-W101 HydrophobicContact CD2-CH2 4.2Å; L80-W101 HydrophobicContact CD2-CZ2 4.22Å; L80-W101 HydrophobicContact CD2-CZ3 4.31Å; L80-W101 HydrophobicContact CG-CH2 4.24Å; L80-W101 HydrophobicContact CG-CZ2 4Å; L80-M103 HydrophobicContact CD2-CB 4.24Å
81V76.3Confident67.3Low53 Ų53113 Ų11332%0.32156%0.558SS.*EExtended strand (participates in β ladder)trans-131155.5-178.9-61.60000110.1H83 S102V81-H83 WeakPolarHBondContact CG2-CE1 3.27Å; V81-H83 WeakPolarHBondContact CG2-NE2 3.44Å; V81-H83 PolarHBondContact O-CD2 3.25Å; V81-H83 PolarHBondContact O-N 2.7Å; V81-S102 PolarHBondContact N-O 3.48Å; V81-S102 VanDerWaalsContact N-O 3.11Å; V81-S102 PolarHBondContact O-N 2.88Å
82W78.2Confident67.1Low169 Ų169106.2 Ų106.264%0.6453%0.531SS*.EExtended strand (participates in β ladder)trans-76.8119.2170.2-72.5100.5000108.6W99 W101W82-W99 HydrophobicContact CB-CE3 4.18Å; W82-W99 HydrophobicContact CE3-CB 4.08Å; W82-W101 HydrophobicContact CD2-CB 4.16Å; W82-W101 AromaticContact CD2-CD1 3.99Å; W82-W101 HydrophobicContact CD2-CG 4.49Å; W82-W101 AromaticContact CE2-CD1 3.77Å; W82-W101 HydrophobicContact CE3-CB 3.86Å; W82-W101 HydrophobicContact CH2-CB 3.92Å; W82-W101 HydrophobicContact CZ2-CB 4.2Å; W82-W101 HydrophobicContact CZ2-CG 4.38Å; W82-W101 HydrophobicContact CZ3-CB 3.74Å; W82-W101 AromaticContact NE1-CD1 3.89Å
83H73.9Confident66.8Low52 Ų52104.3 Ų104.324%0.24154%0.537CS..EExtended strand (participates in β ladder)trans-103.2142.2173.1-62.2-76.1000109.3V81 G85 W99 S100 S102V81-H83 WeakPolarHBondContact CG2-CE1 3.27Å; V81-H83 WeakPolarHBondContact CG2-NE2 3.44Å; V81-H83 PolarHBondContact O-CD2 3.25Å; V81-H83 PolarHBondContact O-N 2.7Å; H83-G85 PolarHBondContact O-N 2.82Å; H83-W99 CarbonylContact O-C 3.54Å; H83-W99 WeakPolarHBondContact O-CA 3.38Å; H83-S100 PolarHBondContact N-O 3.44Å; H83-S100 PolarHBondContact O-N 3.34Å; H83-S102 PolarHBondContact CD2-OG 2.67Å; H83-S102 VanDerWaalsContact CD2-OG 3.23Å
84E72.2Confident67Low113 Ų11397.4 Ų97.453%0.52851%0.513SS..EExtended strand (participates in β ladder)trans-63.5120.9164.4-168.8176.5174.300107.3C86 Y97 W99E84-C86 PolarHBondContact O-N 2.81Å; E84-Y97 HydrophobicContact CG-CD1 4.37Å; E84-Y97 WeakPolarHBondContact OE1-CD1 3.24Å; E84-Y97 WeakPolarHBondContact OE1-CE1 3.35Å; E84-W99 HydrophobicContact CB-CZ3 4.4Å
85G66.1Low66.8Low20 Ų2093 Ų9321%0.20651%0.508CS..PPolyproline II helixtrans-61135-179.500000109.8H83 D87 T98H83-G85 PolarHBondContact O-N 2.82Å; G85-D87 VanDerWaalsContact C-N 3.28Å; G85-D87 PolarHBondContact O-N 3.44Å; G85-D87 VanDerWaalsContact O-N 3.11Å; G85-T98 WeakPolarHBondContact CA-O 3.45Å; G85-T98 PolarHBondContact N-O 2.8Å
86C60.1Low66.7Low114 Ų11496.4 Ų96.477%0.7752%0.524SS*.  trans-84.280.7171.7-160.50000107.1E84 D88E84-C86 PolarHBondContact O-N 2.81Å; C86-D88 VanDerWaalsContact C-N 3.29Å; C86-D88 PolarHBondContact O-N 3.09Å; C86-D88 VanDerWaalsContact O-N 3.15Å
87D59.9Low66.4Low78 Ų7899 Ų9942%0.41752%0.517SS..  trans-76.294.1162.7-152.85.1000105.4G85 D89 T92G85-D87 VanDerWaalsContact C-N 3.28Å; G85-D87 PolarHBondContact O-N 3.44Å; G85-D87 VanDerWaalsContact O-N 3.11Å; D87-D89 PolarHBondContact O-N 3.34Å; D87-T92 PolarHBondContact OD2-OG1 2.85Å
88D58.8Low66.1Low133 Ų13399.6 Ų99.671%0.71152%0.523SS*.  trans-73.5-8.2174.660.3-13.1000111.6C86 Y90C86-D88 VanDerWaalsContact C-N 3.29Å; C86-D88 PolarHBondContact O-N 3.09Å; C86-D88 VanDerWaalsContact O-N 3.15Å; D88-Y90 PolarHBondContact O-N 3Å
89D58.9Low66.1Low85 Ų8596.8 Ų96.846%0.45551%0.513SS..  trans-85.4103172-147.615.8000109.3D87 T91 T92D87-D89 PolarHBondContact O-N 3.34Å; D89-T91 VanDerWaalsContact CG-CG2 3.49Å; D89-T91 PolarHBondContact O-N 2.83Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.21Å; D89-T91 WeakPolarHBondContact OD2-CG2 3.12Å; D89-T91 PolarHBondContact OD2-OG1 3.27Å; D89-T92 PolarHBondContact O-OG1 3.34Å
90Y55.2Low65.9Low231 Ų23194.3 Ų94.391%0.90650%0.502SS*.THydrogen-bonded Turntrans-62.720.3171.9-65.8-84.4000113.4D88D88-Y90 PolarHBondContact O-N 3Å
91T56.5Low66Low94 Ų9498.9 Ų98.958%0.57752%0.516SS*.THydrogen-bonded Turntrans-96.1-8-174.463.80000113D89 A93D89-T91 VanDerWaalsContact CG-CG2 3.49Å; D89-T91 PolarHBondContact O-N 2.83Å; D89-T91 WeakPolarHBondContact OD1-CG2 3.21Å; D89-T91 WeakPolarHBondContact OD2-CG2 3.12Å; D89-T91 PolarHBondContact OD2-OG1 3.27Å; T91-A93 VanDerWaalsContact C-N 3.32Å; T91-A93 PolarHBondContact O-N 3.16Å
92T56.7Low65.8Low56 Ų5697 Ų9734%0.34451%0.506SS..  trans-67.989.6172.8-1.50000109.8D87 D89 D94 G95D87-T92 PolarHBondContact OD2-OG1 2.85Å; D89-T92 PolarHBondContact O-OG1 3.34Å; T92-D94 WeakPolarHBondContact CG2-OD1 3.16Å; T92-D94 PolarHBondContact O-N 3.42Å; T92-G95 PolarHBondContact O-N 3.47Å
93A58.5Low65.5Low110 Ų11091.5 Ų91.591%0.90949%0.488SS*.THydrogen-bonded Turntrans-65.2-3.5-174.500000114.5T91T91-A93 VanDerWaalsContact C-N 3.32Å; T91-A93 PolarHBondContact O-N 3.16Å
94D66.4Low65.2Low56 Ų5696.3 Ų96.330%0.29951%0.51SS..THydrogen-bonded Turntrans-107.3-7.8-177.242.125.9000114.7R49 T92 D96R49-D94 IonicContact CZ-OD2 3.73Å; R49-D94 IonicContact NE-OD2 2.75Å; R49-D94 IonicContact NH1-OD2 3.87Å; T92-D94 WeakPolarHBondContact CG2-OD1 3.16Å; T92-D94 PolarHBondContact O-N 3.42Å; D94-D96 VanDerWaalsContact CG-CG 3.49Å; D94-D96 VanDerWaalsContact CG-OD2 3.22Å; D94-D96 PolarHBondContact O-N 3.34Å; D94-D96 PolarHBondContact OD1-N 2.98Å
95G61.6Low64.9Low56 Ų5694.8 Ų94.858%0.57753%0.525SS*.  trans63.723.4-176.500000112.5T92 Y97T92-G95 PolarHBondContact O-N 3.47Å; G95-Y97 PolarHBondContact O-N 3.45Å
96D67.1Low64.6Low96 Ų9699.9 Ų99.951%0.51354%0.543SS..  trans-74121177.9-71.4-16.3000108.7D94 T98D94-D96 VanDerWaalsContact CG-CG 3.49Å; D94-D96 VanDerWaalsContact CG-OD2 3.22Å; D94-D96 PolarHBondContact O-N 3.34Å; D94-D96 PolarHBondContact OD1-N 2.98Å; D96-T98 PolarHBondContact O-N 2.85Å
97Y66.8Low64.4Low171 Ų17198.9 Ų98.967%0.67154%0.536SS*.  trans-74111.9171.8-61.8-75.6000108.5E84 G95 W99E84-Y97 HydrophobicContact CG-CD1 4.37Å; E84-Y97 WeakPolarHBondContact OE1-CD1 3.24Å; E84-Y97 WeakPolarHBondContact OE1-CE1 3.35Å; G95-Y97 PolarHBondContact O-N 3.45Å; Y97-W99 VanDerWaalsContact O-CD1 3.26Å
98T68.7Low64.2Low75 Ų7598.5 Ų98.546%0.4654%0.538SS..  trans-69.7138.5167.7-59.20000108.2G85 D96G85-T98 WeakPolarHBondContact CA-O 3.45Å; G85-T98 PolarHBondContact N-O 2.8Å; D96-T98 PolarHBondContact O-N 2.85Å
99W74.7Confident64Low146 Ų14697.6 Ų97.655%0.55354%0.538SS*.EExtended strand (participates in β ladder)trans-118.3131.8172.8-68.878.5000109W82 H83 E84 Y97W82-W99 HydrophobicContact CB-CE3 4.18Å; W82-W99 HydrophobicContact CE3-CB 4.08Å; H83-W99 CarbonylContact O-C 3.54Å; H83-W99 WeakPolarHBondContact O-CA 3.38Å; E84-W99 HydrophobicContact CB-CZ3 4.4Å; Y97-W99 VanDerWaalsContact O-CD1 3.26Å
100S72.3Confident63.7Low33 Ų3398.4 Ų98.423%0.23154%0.542CS..EExtended strand (participates in β ladder)trans-113.8135.2178.156.40000110.4H83H83-S100 PolarHBondContact N-O 3.44Å; H83-S100 PolarHBondContact O-N 3.34Å
101W77.1Confident63.7Low135 Ų13589.8 Ų89.851%0.51152%0.516SS..EExtended strand (participates in β ladder)trans-92.9108.5172.5-172.376.2000109.1L80 W82L80-W101 HydrophobicContact CB-CH2 4.49Å; L80-W101 HydrophobicContact CB-CZ2 3.75Å; L80-W101 HydrophobicContact CD1-CH2 3.43Å; L80-W101 VanDerWaalsContact CD1-CH2 3.43Å; L80-W101 HydrophobicContact CD1-CZ2 3.47Å; L80-W101 VanDerWaalsContact CD1-CZ2 3.47Å; L80-W101 HydrophobicContact CD1-CZ3 4.25Å; L80-W101 HydrophobicContact CD2-CE3 4.49Å; L80-W101 HydrophobicContact CD2-CH2 4.2Å; L80-W101 HydrophobicContact CD2-CZ2 4.22Å; L80-W101 HydrophobicContact CD2-CZ3 4.31Å; L80-W101 HydrophobicContact CG-CH2 4.24Å; L80-W101 HydrophobicContact CG-CZ2 4Å; W82-W101 HydrophobicContact CD2-CB 4.16Å; W82-W101 AromaticContact CD2-CD1 3.99Å; W82-W101 HydrophobicContact CD2-CG 4.49Å; W82-W101 AromaticContact CE2-CD1 3.77Å; W82-W101 HydrophobicContact CE3-CB 3.86Å; W82-W101 HydrophobicContact CH2-CB 3.92Å; W82-W101 HydrophobicContact CZ2-CB 4.2Å; W82-W101 HydrophobicContact CZ2-CG 4.38Å; W82-W101 HydrophobicContact CZ3-CB 3.74Å; W82-W101 AromaticContact NE1-CD1 3.89Å
102S73.1Confident63.9Low14 Ų1491.8 Ų91.810%0.09852%0.522CS..EExtended strand (participates in β ladder)trans-145.8173.6179.768.60000111.8V81 H83 E106V81-S102 PolarHBondContact N-O 3.48Å; V81-S102 VanDerWaalsContact N-O 3.11Å; V81-S102 PolarHBondContact O-N 2.88Å; H83-S102 PolarHBondContact CD2-OG 2.67Å; H83-S102 VanDerWaalsContact CD2-OG 3.23Å; S102-E106 PolarHBondContact OG-O 2.93Å; S102-E106 VanDerWaalsContact OG-O 3.06Å
103M72Confident64.3Low54 Ų5493 Ų9327%0.26653%0.533SS..EExtended strand (participates in β ladder)trans-79.1138.3174.5-165.9170.5-75.800109.7N77 N79 L80 G105 E106N77-M103 WeakPolarHBondContact ND2-CE 3.21Å; N79-M103 HydrophobicContact CB-CE 4.03Å; N79-M103 HydrophobicContact CB-CG 3.52Å; N79-M103 HydrophobicContact CB-SD 3.91Å; N79-M103 CarbonylContact O-C 3.58Å; N79-M103 VanDerWaalsContact O-CA 3.29Å; N79-M103 WeakPolarHBondContact O-CA 3.36Å; L80-M103 HydrophobicContact CD2-CB 4.24Å; M103-G105 PolarHBondContact O-N 2.85Å; M103-G105 VanDerWaalsContact O-N 3.08Å; M103-E106 PolarHBondContact O-N 3.23Å
104E67.4Low64.7Low152 Ų15292.6 Ų92.671%0.7151%0.512SS*.THydrogen-bonded Turntrans-54.6116.9179.1-172.2173.2-158.200111.1N79N79-E104 PolarHBondContact O-N 2.75Å
105G64.5Low64.8Low81 Ų8193.4 Ų93.484%0.83552%0.516SS*.THydrogen-bonded Turntrans101.5-10.6-178.100000115.3M103M103-G105 PolarHBondContact O-N 2.85Å; M103-G105 VanDerWaalsContact O-N 3.08Å
106E60.1Low65.1Low127 Ų12796.1 Ų96.159%0.59352%0.517SS*.  trans-101.398.3170.3-69.5179.4172.200108.7S102 M103 P108S102-E106 PolarHBondContact OG-O 2.93Å; S102-E106 VanDerWaalsContact OG-O 3.06Å; M103-E106 PolarHBondContact O-N 3.23Å; E106-P108 WeakPolarHBondContact O-CD 2.93Å
107C55.4Low65.4Low93 Ų9396.3 Ų96.363%0.62853%0.526SS*.  trans-63.2121.2154-1740000105.2T109C107-T109 PolarHBondContact O-N 3.3Å
108P56.9Low65.8Low70 Ų7094.8 Ų94.846%0.45553%0.529SS..  trans-66.786.8178.626.4-31000107.8E106 N110E106-P108 WeakPolarHBondContact O-CD 2.93Å; P108-N110 PolarHBondContact O-N 3.37Å
109T53.8Low66.3Low115 Ų11596.4 Ų96.471%0.70653%0.533SS*.  trans-791017053.30000111.1C107 S111C107-T109 PolarHBondContact O-N 3.3Å; T109-S111 PolarHBondContact O-N 3.42Å
110N53.8Low66.6Low101 Ų10193.7 Ų93.754%0.5453%0.529SS..  trans-59.686.1167-62.80.7000106.8P108 L112 E114P108-N110 PolarHBondContact O-N 3.37Å; N110-L112 PolarHBondContact O-N 2.66Å; N110-E114 WeakPolarHBondContact CA-OE2 3.4Å; N110-E114 PolarHBondContact OD1-OE2 2.75Å
111S54.8Low67Low51 Ų5194.5 Ų94.536%0.35754%0.535SS..  trans-51.5140.8174.460.90000106.9T109 S113 E114T109-S111 PolarHBondContact O-N 3.42Å; S111-S113 WeakPolarHBondContact CB-OG 3.41Å; S111-S113 PolarHBondContact O-N 2.84Å; S111-S113 PolarHBondContact OG-OG 2.95Å; S111-E114 PolarHBondContact O-N 3.29Å
112L60.1Low67.2Low136 Ų13692.9 Ų92.971%0.71254%0.541SS*.Hα-helixtrans-45.6-29.4174.9-91.5163.1000112.4N110 E114 L115 N116N110-L112 PolarHBondContact O-N 2.66Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-E114 PolarHBondContact O-N 3.08Å; L112-L115 PolarHBondContact O-N 3.23Å; L112-N116 VanDerWaalsContact O-CG 3.22Å; L112-N116 PolarHBondContact O-N 3.43Å; L112-N116 PolarHBondContact O-ND2 3.21Å; L112-N116 PolarHBondContact O-OD1 3.25Å
113S64.8Low67.8Low80 Ų8098.7 Ų98.756%0.55957%0.572SS**Hα-helixtrans-54.7-37171.418.80000115.4S111S111-S113 WeakPolarHBondContact CB-OG 3.41Å; S111-S113 PolarHBondContact O-N 2.84Å; S111-S113 PolarHBondContact OG-OG 2.95Å
114E67.3Low68.4Low103 Ų103100.8 Ų100.848%0.48158%0.581SS.*Hα-helixtrans-71.1-38.5177.3-68.8178.4-172.700111.2N110 S111 L112 S117N110-E114 WeakPolarHBondContact CA-OE2 3.4Å; N110-E114 PolarHBondContact OD1-OE2 2.75Å; S111-E114 PolarHBondContact O-N 3.29Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-E114 PolarHBondContact O-N 3.08Å; E114-S117 PolarHBondContact O-N 3.38Å; E114-S117 PolarHBondContact O-OG 3.26Å
115L68.5Low69.2Low72 Ų7297.9 Ų97.938%0.37758%0.575SS.*Hα-helixtrans-69.8-31.9176.1-74.1170.4000112.5L112 S117 L118 I119L112-L115 PolarHBondContact O-N 3.23Å; L115-S117 PolarHBondContact O-N 2.96Å; L115-L118 PolarHBondContact O-N 3.46Å; L115-I119 HydrophobicContact CB-CD1 4Å; L115-I119 HydrophobicContact CD2-CD1 4.49Å; L115-I119 WeakPolarHBondContact O-CG1 3.48Å; L115-I119 PolarHBondContact O-N 3.47Å
116N68.5Low70.1Confident113 Ų113101.4 Ų101.460%0.60457%0.57SS**THydrogen-bonded Turntrans-58.4-21.9175.9-71.8-19.5000113.1L112L112-N116 VanDerWaalsContact O-CG 3.22Å; L112-N116 PolarHBondContact O-N 3.43Å; L112-N116 PolarHBondContact O-ND2 3.21Å; L112-N116 PolarHBondContact O-OD1 3.25Å
117S73.5Confident71.2Confident100 Ų10097.6 Ų97.670%0.69956%0.56SS**THydrogen-bonded Turntrans-81-20.7174.973.40000114E114 L115E114-S117 PolarHBondContact O-N 3.38Å; E114-S117 PolarHBondContact O-OG 3.26Å; L115-S117 PolarHBondContact O-N 2.96Å
118L73.9Confident72.7Confident140 Ų14098.9 Ų98.973%0.73356%0.56SS**THydrogen-bonded Turntrans-101.9-26.4-177.4-67.2170000112.6L115L115-L118 PolarHBondContact O-N 3.46Å
119I80Confident74.1Confident108 Ų10898.3 Ų98.355%0.55457%0.567SS**SBendtrans-99.3119.2-177-57.7174.8000108.6L115 S121L115-I119 HydrophobicContact CB-CD1 4Å; L115-I119 HydrophobicContact CD2-CD1 4.49Å; L115-I119 WeakPolarHBondContact O-CG1 3.48Å; L115-I119 PolarHBondContact O-N 3.47Å; I119-S121 PolarHBondContact O-N 3.17Å
120I81.3Confident75.7Confident90 Ų9098.2 Ų98.246%0.46257%0.568SS.*PPolyproline II helixtrans-68.3130.1170.8-56.4173.1000107.7E124 E126 A127I120-E124 HydrophobicContact CG2-CB 3.86Å; I120-E124 HydrophobicContact CG2-CG 4.49Å; I120-E126 HydrophobicContact CD1-CB 4.23Å; I120-E126 HydrophobicContact CG2-CB 4.05Å; I120-A127 HydrophobicContact CG2-CB 3.9Å
121S80.4Confident77.3Confident50 Ų5098.7 Ų98.735%0.3558%0.577SS.*PPolyproline II helixtrans-61.7139.3175.7164.40000110I119 D123 E124 A127I119-S121 PolarHBondContact O-N 3.17Å; S121-D123 PolarHBondContact O-N 2.92Å; S121-E124 WeakPolarHBondContact O-CB 3.38Å; S121-E124 PolarHBondContact O-N 3.32Å; S121-A127 WeakPolarHBondContact O-CB 3.15Å
122P81.4Confident78.9Confident100 Ų100101.8 Ų101.865%0.64959%0.588SS**THydrogen-bonded Turntrans-62-19-175.926.4-36.2000113.7
123D84.7Confident80.3Confident137 Ų137104 Ų10473%0.73360%0.595SS**THydrogen-bonded Turntrans-89.8-10.7179-61.2-45000113.3S121S121-D123 PolarHBondContact O-N 2.92Å
124E84.5Confident81.4Confident97 Ų97106.1 Ų106.145%0.45360%0.596SS.*SBendtrans-73.7143.8-179.9-68.1-68.9158.800110.6I120 S121 E126 A127 L128I120-E124 HydrophobicContact CG2-CB 3.86Å; I120-E124 HydrophobicContact CG2-CG 4.49Å; S121-E124 WeakPolarHBondContact O-CB 3.38Å; S121-E124 PolarHBondContact O-N 3.32Å; E124-E126 PolarHBondContact O-N 3.29Å; E124-A127 PolarHBondContact O-N 2.9Å; E124-L128 PolarHBondContact O-N 3.34Å
125P84.7Confident82.5Confident92 Ų92106.4 Ų106.460%0.59760%0.6SS**THydrogen-bonded Turntrans-60.3-21.8-176.126.2-35.2000113.2L128P125-L128 PolarHBondContact O-N 3.21Å
126E83.6Confident83.3Confident154 Ų154106.5 Ų106.572%0.7260%0.601SS**THydrogen-bonded Turntrans-72.8-26.9176.4-65.5154.3-177.500112.7I120 E124I120-E126 HydrophobicContact CD1-CB 4.23Å; I120-E126 HydrophobicContact CG2-CB 4.05Å; E124-E126 PolarHBondContact O-N 3.29Å
127A84.2Confident84.2Confident47 Ų47106.2 Ų106.239%0.38860%0.6SS.*THydrogen-bonded Turntrans-85.9-15.2172.800000112.5I120 S121 E124 G129I120-A127 HydrophobicContact CG2-CB 3.9Å; S121-A127 WeakPolarHBondContact O-CB 3.15Å; E124-A127 PolarHBondContact O-N 2.9Å; A127-G129 PolarHBondContact O-N 3.31Å
128L85.8Confident85Confident121 Ų121105.2 Ų105.263%0.63458%0.584SS**  trans-85.492.1180-61-179.1000110.9E124 P125E124-L128 PolarHBondContact O-N 3.34Å; P125-L128 PolarHBondContact O-N 3.21Å
129G85.6Confident85.7Confident58 Ų58102.4 Ų102.460%0.59857%0.569SS**PPolyproline II helixtrans-100.1169.9170.600000113.4A127A127-G129 PolarHBondContact O-N 3.31Å
130P88.4Confident86.1Confident113 Ų113103.4 Ų103.473%0.73458%0.575SS**PPolyproline II helixtrans-60.5156.1162.929.9-34.5000110.2I132P130-I132 PolarHBondContact O-N 3.05Å
131P88Confident86.3Confident110 Ų110108.8 Ų108.871%0.71460%0.595SS**PPolyproline II helixtrans-55.4133.1174.1-23.333.5000111.6E133P131-E133 PolarHBondContact O-N 3.1Å
132I88.1Confident86.5Confident116 Ų116108.6 Ų108.660%0.59559%0.593SS**  trans-82.5110171.8-58.5171.5000107.4P130 E134 E138P130-I132 PolarHBondContact O-N 3.05Å; I132-E134 WeakPolarHBondContact CG2-O 3.46Å; I132-E138 HydrophobicContact CG2-CG 4.27Å
133E89.3Confident86.9Confident182 Ų182107.1 Ų107.185%0.8559%0.585SS**  trans-95.3-22-179.1-63.2-173.8174.500112.9P131P131-E133 PolarHBondContact O-N 3.1Å
134E87.9Confident87.1Confident126 Ų126102.8 Ų102.859%0.58956%0.562SS**  trans-123.6125.6-176.7-64.8-178.8176.400110.2I132I132-E134 WeakPolarHBondContact CG2-O 3.46Å
135L89.4Confident87.4Confident109 Ų109104.7 Ų104.757%0.57157%0.57SS**  trans-87.3-10.6177-76169.9000113.1N137 E138 V147 L151L135-N137 PolarHBondContact O-N 3.44Å; L135-N137 VanDerWaalsContact O-N 3.08Å; L135-E138 HydrophobicContact CD2-CG 4.21Å; L135-E138 PolarHBondContact O-N 3.23Å; L135-V147 WeakPolarHBondContact O-CG1 3.41Å; L135-L151 HydrophobicContact CB-CD1 4.09Å; L135-L151 HydrophobicContact CB-CD2 4.33Å; L135-L151 HydrophobicContact CD1-CD2 4.42Å
136D87.2Confident87.6Confident73 Ų73104.7 Ų104.739%0.3957%0.565SS.*THydrogen-bonded Turntrans-61.9-21.3-171.6-67.7-60.9000113.6I144 L151D136-I144 WeakPolarHBondContact O-CD1 3.32Å; D136-L151 WeakPolarHBondContact OD1-CD1 3.31Å
137N87.1Confident87.9Confident108 Ų10898.3 Ų98.358%0.57854%0.536SS*.THydrogen-bonded Turntrans-109.77-176.7-55.7-52.9000113.4L135 D139L135-N137 PolarHBondContact O-N 3.44Å; L135-N137 VanDerWaalsContact O-N 3.08Å; N137-D139 VanDerWaalsContact C-N 3.33Å; N137-D139 PolarHBondContact O-N 3.32Å; N137-D139 VanDerWaalsContact O-N 3.07Å
138E88.9Confident88.1Confident78 Ų78100 Ų10036%0.36454%0.536SS..  trans-86.269.7-178.2-66.3-60.414600111.6I132 L135I132-E138 HydrophobicContact CG2-CG 4.27Å; L135-E138 HydrophobicContact CD2-CG 4.21Å; L135-E138 PolarHBondContact O-N 3.23Å
139D89.6Confident88.3Confident81 Ų81100.7 Ų100.743%0.43354%0.536SS..  trans-1066.3-17272.7-18.5000114.8N137 F141 C142 I144N137-D139 VanDerWaalsContact C-N 3.33Å; N137-D139 PolarHBondContact O-N 3.32Å; N137-D139 VanDerWaalsContact O-N 3.07Å; D139-F141 PolarHBondContact O-N 3.17Å; D139-C142 CarbonylContact C-O 3.31Å; D139-C142 VanDerWaalsContact C-O 3.31Å; D139-C142 WeakPolarHBondContact CA-O 3.02Å; D139-C142 WeakPolarHBondContact CB-O 3.15Å; D139-C142 PolarHBondContact O-N 3.06Å; D139-I144 HydrophobicContact CB-CB 3.99Å; D139-I144 HydrophobicContact CB-CD1 4.06Å
140I88Confident88.5Confident130 Ų130101.1 Ų101.167%0.66753%0.527SS*.SBendtrans-58.3-37.7-177.5-61.1176.6000111.6
141F85.5Confident88.6Confident202 Ų20297.6 Ų97.689%0.88650%0.502SS*.SBendtrans-117.32.8-177.1-57.3-72.9000113.5D139D139-F141 PolarHBondContact O-N 3.17Å
142C85Confident88.6Confident46 Ų4697.7 Ų97.731%0.31150%0.496SS..SBendtrans-145.6138.3-176-170.40000109.5D139 I144 L146 V147D139-C142 CarbonylContact C-O 3.31Å; D139-C142 VanDerWaalsContact C-O 3.31Å; D139-C142 WeakPolarHBondContact CA-O 3.02Å; D139-C142 WeakPolarHBondContact CB-O 3.15Å; D139-C142 PolarHBondContact O-N 3.06Å; C142-I144 PolarHBondContact O-N 3.04Å; C142-L146 VanDerWaalsContact SG-CD2 3.57Å; C142-V147 HydrophobicContact CB-CG2 3.79Å
143S88.7Confident88.7Confident69 Ų69101.4 Ų101.448%0.48350%0.504SS..  trans-55.6129.21741720000110.4H145 L146 V147S143-H145 PolarHBondContact O-N 3.48Å; S143-H145 VanDerWaalsContact O-N 3.08Å; S143-H145 PolarHBondContact OG-N 3.05Å; S143-L146 WeakPolarHBondContact O-CA 3.06Å; S143-L146 WeakPolarHBondContact O-CB 3.07Å; S143-L146 PolarHBondContact O-N 2.96Å; S143-V147 PolarHBondContact O-N 3.45Å
144I90.8Very high88.5Confident47 Ų47100.4 Ų100.424%0.24150%0.497CS..Hα-helixtrans-50.1-36.1175.9-171.464.3000112.3D136 D139 C142 L146 V147 Q148D136-I144 WeakPolarHBondContact O-CD1 3.32Å; D139-I144 HydrophobicContact CB-CB 3.99Å; D139-I144 HydrophobicContact CB-CD1 4.06Å; C142-I144 PolarHBondContact O-N 3.04Å; I144-L146 VanDerWaalsContact C-N 3.35Å; I144-L146 PolarHBondContact O-N 3.07Å; I144-V147 PolarHBondContact O-N 3.21Å; I144-Q148 WeakPolarHBondContact O-CB 3.48Å; I144-Q148 VanDerWaalsContact O-CG 3.31Å; I144-Q148 WeakPolarHBondContact O-CG 3.49Å; I144-Q148 PolarHBondContact O-N 3.34Å
145H88.9Confident88.1Confident136 Ų136100.4 Ų100.463%0.6351%0.505SS*.Hα-helixtrans-64.3-39.8177.1-65.7-57.5000112.3S143 E149S143-H145 PolarHBondContact O-N 3.48Å; S143-H145 VanDerWaalsContact O-N 3.08Å; S143-H145 PolarHBondContact OG-N 3.05Å; H145-E149 VanDerWaalsContact O-CB 3.3Å; H145-E149 WeakPolarHBondContact O-CB 3.13Å; H145-E149 PolarHBondContact O-N 2.75Å
146L90.4Very high86.3Confident93 Ų93108.6 Ų108.649%0.48753%0.529SS..Hα-helixtrans-74-38.5-179.5-158.9113.3000111C142 S143 I144 E149 V150C142-L146 VanDerWaalsContact SG-CD2 3.57Å; S143-L146 WeakPolarHBondContact O-CA 3.06Å; S143-L146 WeakPolarHBondContact O-CB 3.07Å; S143-L146 PolarHBondContact O-N 2.96Å; I144-L146 VanDerWaalsContact C-N 3.35Å; I144-L146 PolarHBondContact O-N 3.07Å; L146-E149 PolarHBondContact O-N 3.13Å; L146-V150 WeakPolarHBondContact O-CB 3.11Å; L146-V150 VanDerWaalsContact O-CG2 3.27Å; L146-V150 WeakPolarHBondContact O-CG2 3.07Å; L146-V150 PolarHBondContact O-N 3.41Å
147V88.9Confident86.2Confident19 Ų19110.4 Ų110.412%0.11554%0.535CS..Hα-helixtrans-56.9-53.5172.5175.40000109.9L135 C142 S143 I144 E149 V150 L151L135-V147 WeakPolarHBondContact O-CG1 3.41Å; C142-V147 HydrophobicContact CB-CG2 3.79Å; S143-V147 PolarHBondContact O-N 3.45Å; I144-V147 PolarHBondContact O-N 3.21Å; V147-E149 PolarHBondContact O-N 3.02Å; V147-V150 PolarHBondContact O-N 3.06Å; V147-L151 HydrophobicContact CG1-CD1 3.73Å; V147-L151 HydrophobicContact CG1-CG 4.37Å; V147-L151 WeakPolarHBondContact O-CB 3.42Å; V147-L151 VanDerWaalsContact O-CG 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.18Å; V147-L151 PolarHBondContact O-N 2.87Å
148Q89.6Confident86.2Confident84 Ų84110.5 Ų110.539%0.39353%0.533SS..Hα-helixtrans-61.8-41178.9-71.7176-8.300112.5I144 L151 N152I144-Q148 WeakPolarHBondContact O-CB 3.48Å; I144-Q148 VanDerWaalsContact O-CG 3.31Å; I144-Q148 WeakPolarHBondContact O-CG 3.49Å; I144-Q148 PolarHBondContact O-N 3.34Å; Q148-L151 PolarHBondContact O-N 2.97Å; Q148-N152 VanDerWaalsContact O-CB 3.24Å; Q148-N152 WeakPolarHBondContact O-CB 3.31Å; Q148-N152 PolarHBondContact O-N 3.3Å; Q148-N152 PolarHBondContact O-ND2 3.12Å
149E89.7Confident86Confident135 Ų135112.3 Ų112.363%0.63154%0.543SS*.Hα-helixtrans-60.3-48.2177.2-175.4176.7171.800111.6H145 L146 V147 N152 Y153H145-E149 VanDerWaalsContact O-CB 3.3Å; H145-E149 WeakPolarHBondContact O-CB 3.13Å; H145-E149 PolarHBondContact O-N 2.75Å; L146-E149 PolarHBondContact O-N 3.13Å; V147-E149 PolarHBondContact O-N 3.02Å; E149-N152 PolarHBondContact O-N 3.29Å; E149-Y153 PolarHBondContact O-N 2.94Å
150V89.7Confident85.8Confident67 Ų67114.1 Ų114.141%0.40655%0.549SS..Hα-helixtrans-66.2-41.4180171.80000111.6L146 V147 Y153 K154L146-V150 WeakPolarHBondContact O-CB 3.11Å; L146-V150 VanDerWaalsContact O-CG2 3.27Å; L146-V150 WeakPolarHBondContact O-CG2 3.07Å; L146-V150 PolarHBondContact O-N 3.41Å; V147-V150 PolarHBondContact O-N 3.06Å; V150-Y153 PolarHBondContact O-N 3.22Å; V150-K154 PolarHBondContact O-N 2.95Å; V150-K154 VanDerWaalsContact O-N 3.09Å
151L90.2Very high85.7Confident38 Ų38113.1 Ų113.120%0.19954%0.542CS..Hα-helixtrans-65.2-45177.3-69.5175.8000111.1L135 D136 V147 Q148 Y153 K154 V155L135-L151 HydrophobicContact CB-CD1 4.09Å; L135-L151 HydrophobicContact CB-CD2 4.33Å; L135-L151 HydrophobicContact CD1-CD2 4.42Å; D136-L151 WeakPolarHBondContact OD1-CD1 3.31Å; V147-L151 HydrophobicContact CG1-CD1 3.73Å; V147-L151 HydrophobicContact CG1-CG 4.37Å; V147-L151 WeakPolarHBondContact O-CB 3.42Å; V147-L151 VanDerWaalsContact O-CG 3.27Å; V147-L151 WeakPolarHBondContact O-CG 3.18Å; V147-L151 PolarHBondContact O-N 2.87Å; Q148-L151 PolarHBondContact O-N 2.97Å; L151-Y153 VanDerWaalsContact C-N 3.26Å; L151-Y153 PolarHBondContact O-N 3.29Å; L151-K154 PolarHBondContact O-N 3.08Å; L151-K154 VanDerWaalsContact O-N 3.16Å; L151-V155 WeakPolarHBondContact O-CG2 3.39Å; L151-V155 PolarHBondContact O-N 2.95Å; L151-V155 VanDerWaalsContact O-N 3.11Å
152N88.9Confident85.7Confident112 Ų112107.2 Ų107.260%0.59952%0.519SS*.Hα-helixtrans-61-34.5175.3-77.7-45.1000112.9Q148 E149Q148-N152 VanDerWaalsContact O-CB 3.24Å; Q148-N152 WeakPolarHBondContact O-CB 3.31Å; Q148-N152 PolarHBondContact O-N 3.3Å; Q148-N152 PolarHBondContact O-ND2 3.12Å; E149-N152 PolarHBondContact O-N 3.29Å
153Y88.7Confident85.7Confident194 Ų194111.6 Ų111.676%0.76153%0.534SS*.Hα-helixtrans-68.8-40.1175.7-172-93.9000112.1E149 V150 L151E149-Y153 PolarHBondContact O-N 2.94Å; V150-Y153 PolarHBondContact O-N 3.22Å; L151-Y153 VanDerWaalsContact C-N 3.26Å; L151-Y153 PolarHBondContact O-N 3.29Å
154K86.2Confident85.5Confident161 Ų161114.8 Ų114.870%0.754%0.537SS*.Hα-helixtrans-75.6-25.7-178.3-77.2-176.7177.7178.70114.9V150 L151V150-K154 PolarHBondContact O-N 2.95Å; V150-K154 VanDerWaalsContact O-N 3.09Å; L151-K154 PolarHBondContact O-N 3.08Å; L151-K154 VanDerWaalsContact O-N 3.16Å
155V78.4Confident85.1Confident127 Ų127120.5 Ų120.577%0.7756%0.562SS**THydrogen-bonded Turntrans-77.4-12.3179.4174.90000111.9L151L151-V155 WeakPolarHBondContact O-CG2 3.39Å; L151-V155 PolarHBondContact O-N 2.95Å; L151-V155 VanDerWaalsContact O-N 3.11Å
156R51Low84.7Confident280 Ų280119.1 Ų119.1100%1.05756%0.556SS**  trans-950173.1-72.7-174.9176.8-178.21.5112.2

Retrieved 156 of 156 residues in 144.4 ms (Link to these results)