A0A077ZL69_TRITR Loading...

RNA polymerase II-associated factor 1 homolog

AlphaFold DB , UniProt , Accession A0A077ZL69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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
1M80.2Confident84Confident214 Ų214155 Ų155100%1.05481%0.806SS**  0143.70-102.9-175.869.700107.6
2P82.5Confident84.1Confident116 Ų116151.3 Ų151.375%0.75380%0.798SS**PPolyproline II helixtrans-60.5142.2163.727.2-31.4000109.3
3D83.6Confident84.1Confident155 Ų155151.4 Ų151.483%0.82978%0.783SS**PPolyproline II helixtrans-59.7141.6173.8-76.8-28.2000109.9
4V84.7Confident84.2Confident122 Ų122148.4 Ų148.474%0.73978%0.778SS**PPolyproline II helixtrans-59.5125178.4179.70000107.9F6V4-F6 PolarHBondContact O-N 3.31Å
5P82.9Confident84Confident112 Ų112144.7 Ų144.773%0.72775%0.753SS**PPolyproline II helixtrans-57.8142.9178.323.2-32.1000109.8E7P5-E7 PolarHBondContact O-N 3.27Å
6F82.3Confident83.6Confident209 Ų209142.1 Ų142.192%0.91774%0.741SS**PPolyproline II helixtrans-50.8133.5179.1-62.7-76.2000110.7V4 T8V4-F6 PolarHBondContact O-N 3.31Å; F6-T8 PolarHBondContact O-N 2.86Å
7E84Confident82.9Confident170 Ų170142.5 Ų142.579%0.79474%0.743SS**PPolyproline II helixtrans-56.8137.8175.7-168.3169.5-168.200110.1P5 K9P5-E7 PolarHBondContact O-N 3.27Å; E7-K9 PolarHBondContact O-N 3.37Å; E7-K9 VanDerWaalsContact O-N 3.17Å
8T85.6Confident82.4Confident101 Ų101143.6 Ų143.662%0.6274%0.741SS**PPolyproline II helixtrans-61.5121.1179.749.20000109.5F6 F10F6-T8 PolarHBondContact O-N 2.86Å; T8-F10 WeakPolarHBondContact O-CD2 3.23Å; T8-F10 PolarHBondContact O-N 3.31Å; T8-F10 VanDerWaalsContact O-N 3.12Å
9K85.6Confident81.4Confident201 Ų201145.2 Ų145.287%0.87474%0.736SS**  trans-71.2107.3174-63.8-176.7-179.1-179.90109E7 V11E7-K9 PolarHBondContact O-N 3.37Å; E7-K9 VanDerWaalsContact O-N 3.17Å; K9-V11 PolarHBondContact O-N 3.18Å
10F86.6Confident80.7Confident174 Ų174147.8 Ų147.876%0.76374%0.738SS**PPolyproline II helixtrans-71.1125.5170.9-65.9-80.9000109.7T8T8-F10 WeakPolarHBondContact O-CD2 3.23Å; T8-F10 PolarHBondContact O-N 3.31Å; T8-F10 VanDerWaalsContact O-N 3.12Å
11V86.3Confident80Confident131 Ų131146.2 Ų146.279%0.79474%0.736SS**PPolyproline II helixtrans-79.3123.1170.9-179.60000107.4K9 Y13K9-V11 PolarHBondContact O-N 3.18Å; V11-Y13 PolarHBondContact O-N 3.45Å
12P85.2Confident79.7Confident110 Ų110140.3 Ų140.371%0.71471%0.714SS**PPolyproline II helixtrans-61.7133.2178.625.1-32.5000109.9P14P12-P14 WeakPolarHBondContact O-CD 3.33Å
13Y84.2Confident79.3Confident153 Ų153143.6 Ų143.660%0.671%0.712SS**PPolyproline II helixtrans-62.8119.2176.2-176.1-115.9000108.8V11 F15 L17V11-Y13 PolarHBondContact O-N 3.45Å; Y13-F15 HydrophobicContact CD1-CB 4.05Å; Y13-F15 HydrophobicContact CD1-CD2 4.43Å; Y13-F15 WeakPolarHBondContact CD1-O 3.25Å; Y13-F15 HydrophobicContact CD2-CD2 4.19Å; Y13-F15 HydrophobicContact CE1-CB 3.51Å; Y13-F15 AromaticContact CE1-CD2 3.89Å; Y13-F15 HydrophobicContact CE1-CD2 3.89Å; Y13-F15 HydrophobicContact CE1-CG 4.19Å; Y13-F15 WeakPolarHBondContact CE1-O 3.3Å; Y13-F15 AromaticContact CE2-CD2 3.58Å; Y13-F15 HydrophobicContact CE2-CD2 3.58Å; Y13-F15 HydrophobicContact CE2-CE2 4.23Å; Y13-F15 AromaticContact CZ-CD2 3.4Å; Y13-F15 VanDerWaalsContact CZ-CD2 3.4Å; Y13-F15 PolarHBondContact O-N 3.16Å; Y13-F15 VanDerWaalsContact O-N 3.12Å; Y13-F15 WeakPolarHBondContact OH-CD2 3.19Å; Y13-L17 HydrophobicContact CD1-CG 4.35Å
14P85.3Confident79.1Confident109 Ų109143.2 Ų143.271%0.70870%0.704SS**SBendtrans-76.3-0.4-16930.5-35.8000113.4P12P12-P14 WeakPolarHBondContact O-CD 3.33Å
15F80.9Confident79Confident94 Ų94141.6 Ų141.641%0.41270%0.696SS.*SBendtrans-108.7140.1179.2-47.8-79.9000110Y13 L17Y13-F15 HydrophobicContact CD1-CB 4.05Å; Y13-F15 HydrophobicContact CD1-CD2 4.43Å; Y13-F15 WeakPolarHBondContact CD1-O 3.25Å; Y13-F15 HydrophobicContact CD2-CD2 4.19Å; Y13-F15 HydrophobicContact CE1-CB 3.51Å; Y13-F15 AromaticContact CE1-CD2 3.89Å; Y13-F15 HydrophobicContact CE1-CD2 3.89Å; Y13-F15 HydrophobicContact CE1-CG 4.19Å; Y13-F15 WeakPolarHBondContact CE1-O 3.3Å; Y13-F15 AromaticContact CE2-CD2 3.58Å; Y13-F15 HydrophobicContact CE2-CD2 3.58Å; Y13-F15 HydrophobicContact CE2-CE2 4.23Å; Y13-F15 AromaticContact CZ-CD2 3.4Å; Y13-F15 VanDerWaalsContact CZ-CD2 3.4Å; Y13-F15 PolarHBondContact O-N 3.16Å; Y13-F15 VanDerWaalsContact O-N 3.12Å; Y13-F15 WeakPolarHBondContact OH-CD2 3.19Å; F15-L17 PolarHBondContact O-N 3.03Å
16D76.9Confident79.1Confident103 Ų103139.6 Ų139.655%0.55168%0.681SS**  trans-57.4122.8172.6-169.5-4.7000109.3K18 R19D16-K18 PolarHBondContact O-N 3.48Å; D16-K18 WeakPolarHBondContact OD1-CA 3.49Å; D16-K18 VanDerWaalsContact OD1-CB 3.26Å; D16-K18 WeakPolarHBondContact OD1-CB 3.33Å; D16-K18 PolarHBondContact OD1-N 2.66Å; D16-R19 HydrophobicContact CB-CB 4.47Å; D16-R19 WeakPolarHBondContact O-CB 3.47Å; D16-R19 PolarHBondContact O-N 3.41Å
17L73.1Confident79.4Confident149 Ų149138.3 Ų138.378%0.7868%0.675SS**THydrogen-bonded Turntrans-65.4-16.9172.1-80148.7000111.1Y13 F15 R19Y13-L17 HydrophobicContact CD1-CG 4.35Å; F15-L17 PolarHBondContact O-N 3.03Å; L17-R19 PolarHBondContact O-N 3.19Å
18K73.3Confident79.5Confident162 Ų162136.6 Ų136.670%0.70467%0.671SS**THydrogen-bonded Turntrans-86.217.3167.7-52.8178.5-179.8178.40112.9D16 Y20D16-K18 PolarHBondContact O-N 3.48Å; D16-K18 WeakPolarHBondContact OD1-CA 3.49Å; D16-K18 VanDerWaalsContact OD1-CB 3.26Å; D16-K18 WeakPolarHBondContact OD1-CB 3.33Å; D16-K18 PolarHBondContact OD1-N 2.66Å; K18-Y20 PolarHBondContact O-N 3.08Å
19R63.2Low79.6Confident174 Ų174135.4 Ų135.466%0.65766%0.658SS**  trans-69.139.2170.8-161.9-179.4-166.3-157.83.2112.1D16 L17 V21D16-R19 HydrophobicContact CB-CB 4.47Å; D16-R19 WeakPolarHBondContact O-CB 3.47Å; D16-R19 PolarHBondContact O-N 3.41Å; L17-R19 PolarHBondContact O-N 3.19Å; R19-V21 PolarHBondContact O-N 3.26Å
20Y67.6Low79.7Confident196 Ų196131 Ų13177%0.76965%0.648SS**  trans-63.6113.6149.6-60.1-71.4000106.1K18 P22K18-Y20 PolarHBondContact O-N 3.08Å; Y20-P22 WeakPolarHBondContact O-CD 3.46Å
21V65.9Low79.9Confident115 Ų115126.4 Ų126.470%0.69764%0.638SS**  trans-58.9118.5163.4177.90000104.9R19 Y23R19-V21 PolarHBondContact O-N 3.26Å; V21-Y23 PolarHBondContact O-N 3.28Å; V21-Y23 VanDerWaalsContact O-N 3.13Å
22P72.7Confident80.1Confident90 Ų90125.9 Ų125.958%0.58463%0.625SS**  trans-53.3129171.623.2-32.2000106.2Y20 K24Y20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-K24 WeakPolarHBondContact O-CG 3.25Å; P22-K24 PolarHBondContact O-N 3.27Å
23Y74.8Confident80.4Confident185 Ų185129.5 Ų129.573%0.72563%0.63SS**  trans-50.1110-179.4175.2-95.2000108.2V21 E29V21-Y23 PolarHBondContact O-N 3.28Å; V21-Y23 VanDerWaalsContact O-N 3.13Å; Y23-E29 PolarHBondContact OH-OE2 3.29Å
24K79Confident80.7Confident148 Ų148130 Ų13064%0.64364%0.635SS**  trans-118.8114.3177.5-79.7-177.2-178.4-174.80105.1P22 T26P22-K24 WeakPolarHBondContact O-CG 3.25Å; P22-K24 PolarHBondContact O-N 3.27Å; K24-T26 PolarHBondContact O-N 3.31Å; K24-T26 VanDerWaalsContact O-N 3.1Å
25P83.7Confident80.9Confident88 Ų88131.7 Ų131.757%0.57164%0.638SS**  trans-55.9122.417922.5-31.9000108.6
26T84.9Confident81.1Confident69 Ų69135.7 Ų135.742%0.42366%0.658SS.*  trans-81156.9-17859.40000110.6K24 L28 E29 T30K24-T26 PolarHBondContact O-N 3.31Å; K24-T26 VanDerWaalsContact O-N 3.1Å; T26-L28 PolarHBondContact O-N 3.39Å; T26-L28 VanDerWaalsContact O-N 3.12Å; T26-E29 PolarHBondContact N-OE1 3.3Å; T26-E29 WeakPolarHBondContact O-CB 3.24Å; T26-E29 PolarHBondContact O-N 3.06Å; T26-E29 VanDerWaalsContact O-N 3.09Å; T26-E29 PolarHBondContact OG1-OE1 3.08Å; T26-T30 PolarHBondContact O-N 2.95Å
27K88Confident81.5Confident183 Ų183139 Ų13980%0.79668%0.675SS**Hα-helixtrans-55.1-32.1173.7-74.1-170.7177.5-175.90111.9T30 S31K27-T30 WeakPolarHBondContact CA-OG1 3.34Å; K27-T30 PolarHBondContact O-N 3.19Å; K27-T30 PolarHBondContact O-OG1 2.77Å; K27-S31 VanDerWaalsContact O-CB 3.26Å; K27-S31 WeakPolarHBondContact O-CB 2.81Å; K27-S31 PolarHBondContact O-N 3.48Å; K27-S31 PolarHBondContact O-OG 3.36Å
28L86.5Confident82.2Confident134 Ų134135 Ų13570%0.70266%0.656SS**Hα-helixtrans-60.2-48177.8-171.365.5000111.5T26 T30 S31 F32T26-L28 PolarHBondContact O-N 3.39Å; T26-L28 VanDerWaalsContact O-N 3.12Å; L28-T30 PolarHBondContact O-N 2.9Å; L28-S31 WeakPolarHBondContact CA-OG 3.15Å; L28-S31 PolarHBondContact O-N 3.36Å; L28-S31 PolarHBondContact O-OG 2.78Å; L28-F32 PolarHBondContact O-N 3.05Å
29E88.1Confident82.8Confident76 Ų76133.6 Ų133.636%0.35565%0.652SS.*Hα-helixtrans-59.9-44.9175.2-70.3159.1-109.300111.5Y23 T26 S31 F32Y23-E29 PolarHBondContact OH-OE2 3.29Å; T26-E29 PolarHBondContact N-OE1 3.3Å; T26-E29 WeakPolarHBondContact O-CB 3.24Å; T26-E29 PolarHBondContact O-N 3.06Å; T26-E29 VanDerWaalsContact O-N 3.09Å; T26-E29 PolarHBondContact OG1-OE1 3.08Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.87Å; E29-F32 WeakPolarHBondContact O-CB 3.42Å; E29-F32 PolarHBondContact O-N 3.05Å
30T87.6Confident83.8Confident107 Ų107135.1 Ų135.166%0.65666%0.664SS**Hα-helixtrans-71.3-26.3-179.259.20000113.7T26 K27 L28T26-T30 PolarHBondContact O-N 2.95Å; K27-T30 WeakPolarHBondContact CA-OG1 3.34Å; K27-T30 PolarHBondContact O-N 3.19Å; K27-T30 PolarHBondContact O-OG1 2.77Å; L28-T30 PolarHBondContact O-N 2.9Å
31S90.1Very high84.7Confident79 Ų79131.4 Ų131.455%0.55266%0.657SS**Hα-helixtrans-90.3-7.7178.766.10000113.2K27 L28 E29 K33K27-S31 VanDerWaalsContact O-CB 3.26Å; K27-S31 WeakPolarHBondContact O-CB 2.81Å; K27-S31 PolarHBondContact O-N 3.48Å; K27-S31 PolarHBondContact O-OG 3.36Å; L28-S31 WeakPolarHBondContact CA-OG 3.15Å; L28-S31 PolarHBondContact O-N 3.36Å; L28-S31 PolarHBondContact O-OG 2.78Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 2.87Å; S31-K33 PolarHBondContact O-N 3.03Å
32F91.3Very high85.7Confident120 Ų120131.4 Ų131.453%0.52665%0.653SS.*  trans-68.5121.1-178.7-173.3-98.3000109.5L28 E29 F34L28-F32 PolarHBondContact O-N 3.05Å; E29-F32 WeakPolarHBondContact O-CB 3.42Å; E29-F32 PolarHBondContact O-N 3.05Å; F32-F34 AromaticContact CD1-CD1 3.69Å; F32-F34 HydrophobicContact CD1-CD1 3.69Å; F32-F34 HydrophobicContact CD1-CD2 4.1Å; F32-F34 AromaticContact CD1-CE1 3.64Å; F32-F34 HydrophobicContact CD1-CE1 3.64Å; F32-F34 HydrophobicContact CD1-CE2 4.06Å; F32-F34 AromaticContact CD1-CG 3.92Å; F32-F34 HydrophobicContact CD1-CG 3.92Å; F32-F34 AromaticContact CD1-CZ 3.83Å; F32-F34 HydrophobicContact CD1-CZ 3.83Å; F32-F34 AromaticContact CE1-CD1 3.57Å; F32-F34 HydrophobicContact CE1-CD1 3.57Å; F32-F34 AromaticContact CE1-CE1 3.82Å; F32-F34 HydrophobicContact CE1-CE1 3.82Å; F32-F34 HydrophobicContact CE1-CG 4.04Å; F32-F34 HydrophobicContact CE1-CZ 4.46Å
33K91.6Very high86.1Confident186 Ų186134.5 Ų134.581%0.80966%0.659SS**  trans-86.9110173-65.6-174.1178.1-175.30107.6S31S31-K33 PolarHBondContact O-N 3.03Å
34F90.2Very high86.5Confident164 Ų164131.2 Ų131.272%0.71965%0.653SS**  trans-70.3135.6173.4-63.8-85.7000109.7F32 Q36F32-F34 AromaticContact CD1-CD1 3.69Å; F32-F34 HydrophobicContact CD1-CD1 3.69Å; F32-F34 HydrophobicContact CD1-CD2 4.1Å; F32-F34 AromaticContact CD1-CE1 3.64Å; F32-F34 HydrophobicContact CD1-CE1 3.64Å; F32-F34 HydrophobicContact CD1-CE2 4.06Å; F32-F34 AromaticContact CD1-CG 3.92Å; F32-F34 HydrophobicContact CD1-CG 3.92Å; F32-F34 AromaticContact CD1-CZ 3.83Å; F32-F34 HydrophobicContact CD1-CZ 3.83Å; F32-F34 AromaticContact CE1-CD1 3.57Å; F32-F34 HydrophobicContact CE1-CD1 3.57Å; F32-F34 AromaticContact CE1-CE1 3.82Å; F32-F34 HydrophobicContact CE1-CE1 3.82Å; F32-F34 HydrophobicContact CE1-CG 4.04Å; F32-F34 HydrophobicContact CE1-CZ 4.46Å; F34-Q36 PolarHBondContact O-N 3.46Å
35D89Confident86.4Confident143 Ų143130.1 Ų130.177%0.76566%0.662SS**  trans-61.9134.4169.4-68-20.3000108.8L37D35-L37 PolarHBondContact O-N 3.26Å
36Q86Confident86Confident178 Ų178131.9 Ų131.983%0.83266%0.661SS**  trans-71.5104.3174.7-70.7-179.4-10.100108.4F34 V38F34-Q36 PolarHBondContact O-N 3.46Å; Q36-V38 HydrophobicContact CB-CG2 3.96Å; Q36-V38 PolarHBondContact O-N 2.82Å
37L85.2Confident85.9Confident174 Ų174131.8 Ų131.891%0.91166%0.659SS**  trans-77.588.7173.9-62.1178.3000108.7D35D35-L37 PolarHBondContact O-N 3.26Å
38V86.4Confident85.6Confident63 Ų63129.7 Ų129.738%0.38266%0.655SS.*  trans-103.3153.5178.2-163.50000109.8Q36 L42 E43Q36-V38 HydrophobicContact CB-CG2 3.96Å; Q36-V38 PolarHBondContact O-N 2.82Å; V38-L42 HydrophobicContact CB-CD2 4.11Å; V38-L42 HydrophobicContact CG1-CB 4.47Å; V38-L42 HydrophobicContact CG1-CD2 4.05Å; V38-E43 HydrophobicContact CG1-CG 4.25Å
39E86.8Confident85.4Confident133 Ų133129.5 Ų129.562%0.62166%0.659SS**  trans-55.7157.6168.1-62.4-169161.200111.3D41 L42E39-D41 PolarHBondContact O-N 3.36Å; E39-D41 VanDerWaalsContact O-N 3.08Å; E39-L42 PolarHBondContact O-N 2.71Å
40K85.1Confident84.7Confident206 Ų206129.9 Ų129.990%0.89667%0.667SS**THydrogen-bonded Turntrans-56.2-30.7-178.5-69.6-175.9178.6179.20113.1L42K40-L42 VanDerWaalsContact C-N 3.3Å
41D86.2Confident84.1Confident119 Ų119126.4 Ų126.464%0.63665%0.649SS**THydrogen-bonded Turntrans-92.910.1-177.3-56.7-28.8000112.3E39 E43 I44E39-D41 PolarHBondContact O-N 3.36Å; E39-D41 VanDerWaalsContact O-N 3.08Å; D41-E43 PolarHBondContact O-N 3.15Å; D41-E43 VanDerWaalsContact O-N 3.1Å; D41-I44 WeakPolarHBondContact O-CA 3.4Å; D41-I44 WeakPolarHBondContact O-CB 3.31Å; D41-I44 PolarHBondContact O-N 2.81Å
42L85.7Confident83.3Confident114 Ų114127.7 Ų127.760%0.59766%0.658SS**THydrogen-bonded Turntrans54.927.2-179.3-60175.2000113.9V38 E39 K40 I44V38-L42 HydrophobicContact CB-CD2 4.11Å; V38-L42 HydrophobicContact CG1-CB 4.47Å; V38-L42 HydrophobicContact CG1-CD2 4.05Å; E39-L42 PolarHBondContact O-N 2.71Å; K40-L42 VanDerWaalsContact C-N 3.3Å; L42-I44 HydrophobicContact CB-CD1 4.15Å; L42-I44 HydrophobicContact CB-CG1 4.19Å; L42-I44 PolarHBondContact O-N 3.02Å; L42-I44 VanDerWaalsContact O-N 3.14Å
43E81.3Confident82.3Confident155 Ų155125.1 Ų125.172%0.72467%0.665SS**THydrogen-bonded Turntrans59.913.1-170.3-55.2178.4174.400114.1V38 D41 C45V38-E43 HydrophobicContact CG1-CG 4.25Å; D41-E43 PolarHBondContact O-N 3.15Å; D41-E43 VanDerWaalsContact O-N 3.1Å; E43-C45 PolarHBondContact O-N 3.49Å
44I84Confident81.4Confident117 Ų117123.5 Ų123.560%0.666%0.658SS**  trans-8883.2175.5-53.2174.3000108D41 L42 F46D41-I44 WeakPolarHBondContact O-CA 3.4Å; D41-I44 WeakPolarHBondContact O-CB 3.31Å; D41-I44 PolarHBondContact O-N 2.81Å; L42-I44 HydrophobicContact CB-CD1 4.15Å; L42-I44 HydrophobicContact CB-CG1 4.19Å; L42-I44 PolarHBondContact O-N 3.02Å; L42-I44 VanDerWaalsContact O-N 3.14Å; I44-F46 PolarHBondContact O-N 3.11Å
45C77.4Confident80.6Confident124 Ų124124.5 Ų124.584%0.83866%0.663SS**  trans-75.293.1174.2-171.10000110.1E43E43-C45 PolarHBondContact O-N 3.49Å
46F75.3Confident79.9Confident125 Ų125125 Ų12555%0.54867%0.665SS.*  trans-97.3101.7175.8-171.3-108.1000110.8I44 L48 A51 F54I44-F46 PolarHBondContact O-N 3.11Å; F46-L48 HydrophobicContact CD1-CD2 3.93Å; F46-L48 HydrophobicContact CD1-CG 4.44Å; F46-L48 HydrophobicContact CE1-CD2 3.4Å; F46-L48 HydrophobicContact CE1-CG 4.34Å; F46-L48 HydrophobicContact CZ-CD2 4.38Å; F46-A51 HydrophobicContact CZ-CB 4.39Å; F46-F54 HydrophobicContact CE2-CD2 4.36Å
47D82.6Confident79.2Confident68 Ų68121.9 Ų121.936%0.36465%0.654SS.*  trans-90.6115.4176.1172.928.4000111.3V49 T50 A51D47-V49 PolarHBondContact O-N 3.35Å; D47-V49 VanDerWaalsContact OD1-CB 3.29Å; D47-V49 WeakPolarHBondContact OD1-CB 3.44Å; D47-V49 WeakPolarHBondContact OD1-CG2 3.38Å; D47-V49 PolarHBondContact OD1-N 3.1Å; D47-T50 WeakPolarHBondContact CB-OG1 3.32Å; D47-T50 PolarHBondContact O-N 3.14Å; D47-T50 PolarHBondContact O-OG1 3.02Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.48Å; D47-T50 PolarHBondContact OD2-N 3Å; D47-T50 PolarHBondContact OD2-OG1 2.64Å; D47-A51 PolarHBondContact O-N 2.64Å
48L81.3Confident78.8Confident138 Ų138120.2 Ų120.272%0.72365%0.651SS**THydrogen-bonded Turntrans-66.4-19.5177.8-67.1173.2000113.2F46F46-L48 HydrophobicContact CD1-CD2 3.93Å; F46-L48 HydrophobicContact CD1-CG 4.44Å; F46-L48 HydrophobicContact CE1-CD2 3.4Å; F46-L48 HydrophobicContact CE1-CG 4.34Å; F46-L48 HydrophobicContact CZ-CD2 4.38Å
49V81.7Confident78.4Confident131 Ų131122.1 Ų122.179%0.79467%0.668SS**THydrogen-bonded Turntrans-75.4-32.6178.3-175.60000111.1D47D47-V49 PolarHBondContact O-N 3.35Å; D47-V49 VanDerWaalsContact OD1-CB 3.29Å; D47-V49 WeakPolarHBondContact OD1-CB 3.44Å; D47-V49 WeakPolarHBondContact OD1-CG2 3.38Å; D47-V49 PolarHBondContact OD1-N 3.1Å
50T73.9Confident78.1Confident84 Ų84118.7 Ų118.752%0.51566%0.662SS.*THydrogen-bonded Turntrans-102.46.6-179500000113.9D47 S52 G53D47-T50 WeakPolarHBondContact CB-OG1 3.32Å; D47-T50 PolarHBondContact O-N 3.14Å; D47-T50 PolarHBondContact O-OG1 3.02Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.48Å; D47-T50 PolarHBondContact OD2-N 3Å; D47-T50 PolarHBondContact OD2-OG1 2.64Å; T50-S52 PolarHBondContact O-N 3.3Å; T50-G53 PolarHBondContact O-N 2.7Å
51A74.9Confident78.1Confident34 Ų34114.8 Ų114.828%0.28166%0.657SS.*G310 helixtrans-57.8-11.2-177.700000115.4F46 D47 G53 F54F46-A51 HydrophobicContact CZ-CB 4.39Å; D47-A51 PolarHBondContact O-N 2.64Å; A51-G53 PolarHBondContact O-N 3.08Å; A51-G53 VanDerWaalsContact O-N 3.15Å; A51-F54 PolarHBondContact O-N 3.12Å
52S72.7Confident78.1Confident106 Ų106112.7 Ų112.774%0.74165%0.646SS**G310 helixtrans-61.8-19177.5640000114.4T50T50-S52 PolarHBondContact O-N 3.3Å
53G71.6Confident78.3Confident65 Ų65111.1 Ų111.167%0.6764%0.638SS**G310 helixtrans-76.1-22.9176.600000114.9T50 A51 K55T50-G53 PolarHBondContact O-N 2.7Å; A51-G53 PolarHBondContact O-N 3.08Å; A51-G53 VanDerWaalsContact O-N 3.15Å; G53-K55 PolarHBondContact O-N 2.97Å
54F72.6Confident78.7Confident153 Ų153107.9 Ų107.967%0.67163%0.63SS**  trans-95.179-178-61.2-79.8000110F46 A51F46-F54 HydrophobicContact CE2-CD2 4.36Å; A51-F54 PolarHBondContact O-N 3.12Å
55K73.9Confident79Confident185 Ų185106.6 Ų106.680%0.80463%0.628SS**  trans-81.7122.9170.6-70.9-175.5179.3178.50109.2G53 D57G53-K55 PolarHBondContact O-N 2.97Å; K55-D57 PolarHBondContact O-N 2.97Å
56N73.8Confident79.6Confident152 Ų152104.1 Ų104.181%0.81361%0.606SS**  trans-6892.9171.9-66.7-12.6000109.2T58N56-T58 PolarHBondContact O-N 3.3Å; N56-T58 VanDerWaalsContact O-N 3.14Å
57D71.7Confident80.2Confident114 Ų114102.8 Ų102.861%0.6160%0.602SS**  trans-73.7103.1167.7-169.8-0.6000108.5K55 S59K55-D57 PolarHBondContact O-N 2.97Å; D57-S59 PolarHBondContact O-N 3.27Å; D57-S59 WeakPolarHBondContact OD1-CB 3.27Å; D57-S59 PolarHBondContact OD1-N 2.95Å
58T75.9Confident80.4Confident138 Ų138108.2 Ų108.285%0.84762%0.617SS**THydrogen-bonded Turntrans-75.9-6.4179.9-43.70000111.6N56N56-T58 PolarHBondContact O-N 3.3Å; N56-T58 VanDerWaalsContact O-N 3.14Å
59S77.5Confident80.7Confident104 Ų104108.3 Ų108.373%0.72762%0.618SS**THydrogen-bonded Turntrans-93.5-16.7-175.5-168.20000114.2D57D57-S59 PolarHBondContact O-N 3.27Å; D57-S59 WeakPolarHBondContact OD1-CB 3.27Å; D57-S59 PolarHBondContact OD1-N 2.95Å
60A81.2Confident80.9Confident61 Ų61107.7 Ų107.750%0.50461%0.609SS.*SBendtrans-79.3130.6-175.700000111.1L62A60-L62 PolarHBondContact O-N 3.47Å
61P84.2Confident81.3Confident123 Ų123107.7 Ų107.780%0.79960%0.603SS**PPolyproline II helixtrans-64.8133.6170.527.8-32.6000109.6
62L86.5Confident81.5Confident75 Ų75112.3 Ų112.339%0.39362%0.619SS.*PPolyproline II helixtrans-64.8139.2177.1-172.665.4000110.4A60 D66 Q67 I70A60-L62 PolarHBondContact O-N 3.47Å; L62-D66 HydrophobicContact CD1-CB 3.62Å; L62-D66 HydrophobicContact CD2-CB 4.26Å; L62-D66 HydrophobicContact CG-CB 3.81Å; L62-Q67 HydrophobicContact CB-CG 3.85Å; L62-Q67 HydrophobicContact CD2-CB 4.27Å; L62-Q67 HydrophobicContact CD2-CG 3.6Å; L62-Q67 HydrophobicContact CG-CG 3.78Å; L62-Q67 PolarHBondContact O-NE2 3.04Å; L62-I70 HydrophobicContact CD2-CD1 3.29Å; L62-I70 HydrophobicContact CD2-CG1 4.4Å
63D89.8Confident81.2Confident82 Ų82113.7 Ų113.744%0.43961%0.613SS.*PPolyproline II helixtrans-59.1139.5176.3-169.6-74000110.2V65 D66 Q67D63-V65 PolarHBondContact O-N 3.44Å; D63-V65 VanDerWaalsContact O-N 3.15Å; D63-V65 WeakPolarHBondContact OD1-CB 3.22Å; D63-V65 WeakPolarHBondContact OD1-CG2 3.46Å; D63-V65 PolarHBondContact OD1-N 3.41Å; D63-D66 HydrophobicContact CB-CB 4.31Å; D63-D66 PolarHBondContact O-N 2.93Å; D63-Q67 WeakPolarHBondContact O-CG 3.29Å; D63-Q67 PolarHBondContact O-N 2.88Å
64P90.6Very high80.7Confident86 Ų86115.8 Ų115.856%0.55861%0.609SS**Hα-helixtrans-56.5-27.1177.823.3-36.2000114.2R68P64-R68 WeakPolarHBondContact O-CG 3.34Å; P64-R68 PolarHBondContact O-N 3.36Å
65V89.8Confident79.9Confident90 Ų90115.8 Ų115.855%0.54561%0.605SS.*Hα-helixtrans-69.9-46.4173.7179.80000110.2D63 Q67 R68 L69D63-V65 PolarHBondContact O-N 3.44Å; D63-V65 VanDerWaalsContact O-N 3.15Å; D63-V65 WeakPolarHBondContact OD1-CB 3.22Å; D63-V65 WeakPolarHBondContact OD1-CG2 3.46Å; D63-V65 PolarHBondContact OD1-N 3.41Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-Q67 PolarHBondContact O-N 3.37Å; V65-R68 WeakPolarHBondContact O-CB 3.37Å; V65-R68 PolarHBondContact O-N 3.17Å; V65-L69 PolarHBondContact O-N 3.47Å
66D89.3Confident79Confident73 Ų73111.9 Ų111.939%0.3959%0.59SS.*Hα-helixtrans-68-35.3179.2-62.9-26.4000111.7L62 D63 R68 L69 I70L62-D66 HydrophobicContact CD1-CB 3.62Å; L62-D66 HydrophobicContact CD2-CB 4.26Å; L62-D66 HydrophobicContact CG-CB 3.81Å; D63-D66 HydrophobicContact CB-CB 4.31Å; D63-D66 PolarHBondContact O-N 2.93Å; D66-R68 PolarHBondContact O-N 3.29Å; D66-L69 WeakPolarHBondContact O-CB 3.35Å; D66-L69 PolarHBondContact O-N 3.11Å; D66-I70 WeakPolarHBondContact O-CG1 3.31Å; D66-I70 PolarHBondContact O-N 3.43Å
67Q88.8Confident78.1Confident97 Ų97109.4 Ų109.445%0.45358%0.576SS.*Hα-helixtrans-55.3-41.3172.5-74.9177.618.200111.7L62 D63 V65 L69 I70 E71L62-Q67 HydrophobicContact CB-CG 3.85Å; L62-Q67 HydrophobicContact CD2-CB 4.27Å; L62-Q67 HydrophobicContact CD2-CG 3.6Å; L62-Q67 HydrophobicContact CG-CG 3.78Å; L62-Q67 PolarHBondContact O-NE2 3.04Å; D63-Q67 WeakPolarHBondContact O-CG 3.29Å; D63-Q67 PolarHBondContact O-N 2.88Å; V65-Q67 VanDerWaalsContact C-N 3.34Å; V65-Q67 PolarHBondContact O-N 3.37Å; Q67-L69 VanDerWaalsContact C-N 3.3Å; Q67-L69 PolarHBondContact O-N 3.25Å; Q67-I70 PolarHBondContact O-N 3.06Å; Q67-E71 PolarHBondContact O-N 3.25Å
68R86.4Confident77.3Confident182 Ų182107.4 Ų107.469%0.68757%0.571SS**Hα-helixtrans-68-27.8177.6-71.3178.2-179.8174.22.4113.2P64 V65 D66 I70P64-R68 WeakPolarHBondContact O-CG 3.34Å; P64-R68 PolarHBondContact O-N 3.36Å; V65-R68 WeakPolarHBondContact O-CB 3.37Å; V65-R68 PolarHBondContact O-N 3.17Å; D66-R68 PolarHBondContact O-N 3.29Å; R68-I70 VanDerWaalsContact C-N 3.3Å
69L87.5Confident76.3Confident139 Ų139105.8 Ų105.873%0.72856%0.556SS**Hα-helixtrans-74.4-22.6177.9-61.1177.1000112.4V65 D66 Q67V65-L69 PolarHBondContact O-N 3.47Å; D66-L69 WeakPolarHBondContact O-CB 3.35Å; D66-L69 PolarHBondContact O-N 3.11Å; Q67-L69 VanDerWaalsContact C-N 3.3Å; Q67-L69 PolarHBondContact O-N 3.25Å
70I87Confident75.2Confident119 Ų119105.4 Ų105.461%0.6154%0.543SS*.Hα-helixtrans-87.3-17.7178.4-58.8177000111.8L62 D66 Q67 R68 E72L62-I70 HydrophobicContact CD2-CD1 3.29Å; L62-I70 HydrophobicContact CD2-CG1 4.4Å; D66-I70 WeakPolarHBondContact O-CG1 3.31Å; D66-I70 PolarHBondContact O-N 3.43Å; Q67-I70 PolarHBondContact O-N 3.06Å; R68-I70 VanDerWaalsContact C-N 3.3Å; I70-E72 PolarHBondContact O-N 3.05Å; I70-E72 VanDerWaalsContact O-N 3.13Å
71E82.8Confident73.9Confident84 Ų84106.3 Ų106.339%0.39354%0.544SS..SBendtrans-60.8117175.8-68.6173.6-170.700110.2Q67 E73Q67-E71 PolarHBondContact O-N 3.25Å; E71-E73 PolarHBondContact O-N 3.47Å
72E77.3Confident72.5Confident131 Ų131107.1 Ų107.161%0.61254%0.535SS*.  trans-55.6135.4172.6-70173.7171.400109.7I70 D74 R75I70-E72 PolarHBondContact O-N 3.05Å; I70-E72 VanDerWaalsContact O-N 3.13Å; E72-D74 HydrophobicContact CB-CB 4.33Å; E72-D74 PolarHBondContact O-N 3.49Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.13Å
73E67.7Low71Confident134 Ų134106 Ų10663%0.62653%0.531SS*.Hα-helixtrans-55.7-25.9174.9-167.1176.4-171.300111E71 R75 Q76 L77E71-E73 PolarHBondContact O-N 3.47Å; E73-R75 PolarHBondContact O-N 3.34Å; E73-Q76 CarbonylContact O-C 3.5Å; E73-Q76 WeakPolarHBondContact O-CA 3.25Å; E73-Q76 WeakPolarHBondContact O-CB 3.43Å; E73-Q76 PolarHBondContact O-N 2.92Å; E73-L77 HydrophobicContact CG-CD1 3.94Å; E73-L77 HydrophobicContact CG-CG 4.22Å; E73-L77 PolarHBondContact O-N 3.41Å
74D61.2Low69.3Low109 Ų109107.9 Ų107.958%0.58354%0.535SS*.Hα-helixtrans-58.6-30.6172.1-75.9-22.8000113.3E72 S78E72-D74 HydrophobicContact CB-CB 4.33Å; E72-D74 PolarHBondContact O-N 3.49Å; D74-S78 WeakPolarHBondContact O-CA 3.35Å; D74-S78 WeakPolarHBondContact O-CB 3.38Å; D74-S78 PolarHBondContact O-N 2.66Å; D74-S78 PolarHBondContact O-OG 3.03Å
75R56.2Low67.9Low153 Ų153111.3 Ų111.358%0.57754%0.537SS*.Hα-helixtrans-67.2-43.5168.8-74.5-171.8-178.4152.94.9110.5E72 E73 L77 S78 L79E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.13Å; E73-R75 PolarHBondContact O-N 3.34Å; R75-L77 PolarHBondContact O-N 2.99Å; R75-S78 PolarHBondContact O-OG 3.42Å; R75-L79 HydrophobicContact CB-CD1 4.29Å; R75-L79 WeakPolarHBondContact O-CB 3.32Å; R75-L79 WeakPolarHBondContact O-CD1 3.36Å; R75-L79 WeakPolarHBondContact O-CG 3.38Å; R75-L79 PolarHBondContact O-N 3.09Å
76Q53.3Low66.8Low104 Ų104110.3 Ų110.349%0.48653%0.534SS..Hα-helixtrans-65.2-40.9179-61.1-170.8-11.500111.7E73 H80E73-Q76 CarbonylContact O-C 3.5Å; E73-Q76 WeakPolarHBondContact O-CA 3.25Å; E73-Q76 WeakPolarHBondContact O-CB 3.43Å; E73-Q76 PolarHBondContact O-N 2.92Å; Q76-H80 WeakPolarHBondContact O-CB 3.17Å; Q76-H80 PolarHBondContact O-N 3.25Å
77L56.1Low65.9Low100 Ų100113.3 Ų113.352%0.52454%0.544SS..Hα-helixtrans-77.4-33.1178.8-72.1167.5000113.7E73 R75 P81E73-L77 HydrophobicContact CG-CD1 3.94Å; E73-L77 HydrophobicContact CG-CG 4.22Å; E73-L77 PolarHBondContact O-N 3.41Å; R75-L77 PolarHBondContact O-N 2.99Å; L77-P81 WeakPolarHBondContact O-CD 3.44Å
78S55.2Low65.3Low72 Ų72114.9 Ų114.950%0.50355%0.551SS.*Hα-helixtrans-79.1-28.2174.664.30000112.8D74 R75 P81D74-S78 WeakPolarHBondContact O-CA 3.35Å; D74-S78 WeakPolarHBondContact O-CB 3.38Å; D74-S78 PolarHBondContact O-N 2.66Å; D74-S78 PolarHBondContact O-OG 3.03Å; R75-S78 PolarHBondContact O-OG 3.42Å; S78-P81 WeakPolarHBondContact O-CD 3.5Å
79L54.5Low65Low104 Ų104112.7 Ų112.755%0.54555%0.548SS..Hα-helixtrans-77.7-32.1169.8-69.7159.6000111.5R75 F82 T83R75-L79 HydrophobicContact CB-CD1 4.29Å; R75-L79 WeakPolarHBondContact O-CB 3.32Å; R75-L79 WeakPolarHBondContact O-CD1 3.36Å; R75-L79 WeakPolarHBondContact O-CG 3.38Å; R75-L79 PolarHBondContact O-N 3.09Å; L79-F82 CarbonylContact O-C 3.58Å; L79-F82 PolarHBondContact O-N 3.26Å; L79-T83 HydrophobicContact CB-CG2 4.24Å; L79-T83 WeakPolarHBondContact O-CG2 3.5Å; L79-T83 PolarHBondContact O-N 3.04Å
80H54.4Low64.5Low96 Ų96109.1 Ų109.144%0.44455%0.545SS..Hα-helixtrans-57.4-40.2-175.3-130.1-105.8000117.2Q76 F82 T83 F84Q76-H80 WeakPolarHBondContact O-CB 3.17Å; Q76-H80 PolarHBondContact O-N 3.25Å; H80-F82 PolarHBondContact O-N 2.97Å; H80-T83 WeakPolarHBondContact CA-OG1 3.37Å; H80-T83 PolarHBondContact O-N 3.29Å; H80-T83 PolarHBondContact O-OG1 3.25Å; H80-F84 AromaticContact CE1-CD2 3.76Å; H80-F84 AromaticContact CE1-CE2 3.43Å; H80-F84 VanDerWaalsContact CE1-CE2 3.43Å; H80-F84 WeakPolarHBondContact CE1-CE2 3.5Å; H80-F84 AromaticContact ND1-CD2 3.87Å; H80-F84 PolarHBondContact O-N 3.5Å
81P54.1Low64.4Low80 Ų80108 Ų10852%0.51954%0.54SS..Hα-helixtrans-65.4-25.1176.923.2-32.6000111.5L77 S78 R85L77-P81 WeakPolarHBondContact O-CD 3.44Å; S78-P81 WeakPolarHBondContact O-CD 3.5Å; P81-R85 VanDerWaalsContact O-CB 3.3Å; P81-R85 WeakPolarHBondContact O-CB 3.42Å
82F53.3Low64.5Low140 Ų140111 Ų11161%0.61456%0.563SS**Hα-helixtrans-89.2-29175.3-65.9-78.3000112.9L79 H80 R85 S86L79-F82 CarbonylContact O-C 3.58Å; L79-F82 PolarHBondContact O-N 3.26Å; H80-F82 PolarHBondContact O-N 2.97Å; F82-R85 PolarHBondContact O-N 3.2Å; F82-S86 VanDerWaalsContact O-CB 3.22Å; F82-S86 WeakPolarHBondContact O-CB 3.36Å; F82-S86 PolarHBondContact O-N 3.47Å; F82-S86 PolarHBondContact O-OG 3.42Å
83T56Low65Low52 Ų52106.8 Ų106.832%0.31955%0.546SS..Hα-helixtrans-70.9-34.9-178.468.60000113.4L79 H80 S86 K87L79-T83 HydrophobicContact CB-CG2 4.24Å; L79-T83 WeakPolarHBondContact O-CG2 3.5Å; L79-T83 PolarHBondContact O-N 3.04Å; H80-T83 WeakPolarHBondContact CA-OG1 3.37Å; H80-T83 PolarHBondContact O-N 3.29Å; H80-T83 PolarHBondContact O-OG1 3.25Å; T83-S86 PolarHBondContact O-OG 3.36Å; T83-K87 WeakPolarHBondContact O-CG 3.49Å
84F54Low66.1Low120 Ų120106.9 Ų106.953%0.52656%0.558SS.*Hα-helixtrans-76.6-36.6172.3-92.9-85.3000112H80H80-F84 AromaticContact CE1-CD2 3.76Å; H80-F84 AromaticContact CE1-CE2 3.43Å; H80-F84 VanDerWaalsContact CE1-CE2 3.43Å; H80-F84 WeakPolarHBondContact CE1-CE2 3.5Å; H80-F84 AromaticContact ND1-CD2 3.87Å; H80-F84 PolarHBondContact O-N 3.5Å
85R61.1Low67.6Low158 Ų158112.3 Ų112.360%0.59657%0.571SS**Hα-helixtrans-68.5-36.3178.7-155.3-176.5176.3-176.5-3.3111.5P81 F82 H88 H89P81-R85 VanDerWaalsContact O-CB 3.3Å; P81-R85 WeakPolarHBondContact O-CB 3.42Å; F82-R85 PolarHBondContact O-N 3.2Å; R85-H88 PolarHBondContact O-N 3.17Å; R85-H89 WeakPolarHBondContact CG-NE2 3.1Å; R85-H89 PolarHBondContact O-CD2 2.95Å; R85-H89 PolarHBondContact O-N 3.49Å
86S67.1Low69.2Low69 Ų69110.5 Ų110.548%0.48357%0.57SS.*Hα-helixtrans-67.3-35.318067.40000113.3F82 T83 H88 H89 G90F82-S86 VanDerWaalsContact O-CB 3.22Å; F82-S86 WeakPolarHBondContact O-CB 3.36Å; F82-S86 PolarHBondContact O-N 3.47Å; F82-S86 PolarHBondContact O-OG 3.42Å; T83-S86 PolarHBondContact O-OG 3.36Å; S86-H88 PolarHBondContact O-N 3.33Å; S86-H89 PolarHBondContact O-N 3.17Å; S86-G90 PolarHBondContact O-N 3.41Å
87K70.2Confident70.8Confident137 Ų137116.2 Ų116.260%0.59659%0.588SS**Hα-helixtrans-59.4-33179.5-73.8176.9-177.3179.30113T83T83-K87 WeakPolarHBondContact O-CG 3.49Å
88H76.3Confident72.3Confident130 Ų130122.7 Ų122.760%0.60261%0.605SS**Hα-helixtrans-86.9-30.7179.6-69.8-71.8000113.6R85 S86 G90 L91R85-H88 PolarHBondContact O-N 3.17Å; S86-H88 PolarHBondContact O-N 3.33Å; H88-G90 VanDerWaalsContact C-N 3.26Å; H88-G90 PolarHBondContact O-N 3.36Å; H88-L91 HydrophobicContact CB-CD1 4.44Å; H88-L91 WeakPolarHBondContact O-CB 2.98Å; H88-L91 PolarHBondContact O-N 2.86Å
89H78.9Confident73.9Confident136 Ų136125 Ų12563%0.6362%0.616SS**Hα-helixtrans-70.3-20.4-179.9-68.7-47.4000114R85 S86R85-H89 WeakPolarHBondContact CG-NE2 3.1Å; R85-H89 PolarHBondContact O-CD2 2.95Å; R85-H89 PolarHBondContact O-N 3.49Å; S86-H89 PolarHBondContact O-N 3.17Å
90G78.3Confident75.4Confident63 Ų63128.7 Ų128.765%0.64963%0.631SS**THydrogen-bonded Turntrans-89.8-1.9175.600000114.8S86 H88 V92S86-G90 PolarHBondContact O-N 3.41Å; H88-G90 VanDerWaalsContact C-N 3.26Å; H88-G90 PolarHBondContact O-N 3.36Å; G90-V92 PolarHBondContact O-N 2.69Å
91L83.8Confident76.9Confident96 Ų96134 Ų13450%0.50365%0.648SS.*  trans-69.7125.7-179.3-63.7175.6000110H88 V93H88-L91 HydrophobicContact CB-CD1 4.44Å; H88-L91 WeakPolarHBondContact O-CB 2.98Å; H88-L91 PolarHBondContact O-N 2.86Å; L91-V93 HydrophobicContact CB-CG2 4.47Å; L91-V93 PolarHBondContact O-N 2.9Å
92V85.6Confident78.1Confident146 Ų146138.2 Ų138.289%0.88566%0.664SS**  trans-76.7118.2172.2-179.70000108.1G90G90-V92 PolarHBondContact O-N 2.69Å
93V88.3Confident79Confident43 Ų43133.8 Ų133.826%0.26165%0.651SS.*  trans-116.5126.5-178.4-170.50000109.1L91 W95 M96L91-V93 HydrophobicContact CB-CG2 4.47Å; L91-V93 PolarHBondContact O-N 2.9Å; V93-W95 HydrophobicContact CG1-CD2 4.42Å; V93-W95 HydrophobicContact CG1-CG 4.15Å; V93-W95 HydrophobicContact CG1-CZ2 4.44Å; V93-W95 PolarHBondContact O-N 3.26Å; V93-M96 HydrophobicContact CB-CB 4.12Å; V93-M96 HydrophobicContact CB-CE 4.18Å; V93-M96 HydrophobicContact CG2-CE 3.99Å; V93-M96 PolarHBondContact O-N 3.42Å
94P90.2Very high79.8Confident136 Ų136135.9 Ų135.988%0.88367%0.668SS**THydrogen-bonded Turntrans-58.8-25-169.7-27.934.5000116.4
95W92Very high80.3Confident223 Ų223135 Ų13585%0.84567%0.668SS**THydrogen-bonded Turntrans-95.6-5.9-179.356.2-79.1000113.4V93V93-W95 HydrophobicContact CG1-CD2 4.42Å; V93-W95 HydrophobicContact CG1-CG 4.15Å; V93-W95 HydrophobicContact CG1-CZ2 4.44Å; V93-W95 PolarHBondContact O-N 3.26Å
96M89.5Confident80.2Confident115 Ų115133.8 Ų133.857%0.56767%0.668SS**  trans-106.7110-177.5-171.7171.461.100109.9V93V93-M96 HydrophobicContact CB-CB 4.12Å; V93-M96 HydrophobicContact CB-CE 4.18Å; V93-M96 HydrophobicContact CG2-CE 3.99Å; V93-M96 PolarHBondContact O-N 3.42Å
97R88Confident80Confident225 Ų225133.5 Ų133.585%0.84968%0.675SS**PPolyproline II helixtrans-86.4154.8172.5-70.2-172.2170.585.71.2110.8
98R87.7Confident79.5Confident236 Ų236131.9 Ų131.989%0.89167%0.674SS**PPolyproline II helixtrans-64.9143.6168-70-166.6-73.6170-3.8109.4E100R98-E100 PolarHBondContact O-N 3.4Å
99T89.5Confident78.5Confident119 Ų119128 Ų12873%0.7365%0.654SS**PPolyproline II helixtrans-66.9125.1173.551.50000109.5
100E86Confident77.6Confident182 Ų182126.3 Ų126.385%0.8566%0.657SS**PPolyproline II helixtrans-97.6135.5170.7-68.6178.4-17500109.2R98R98-E100 PolarHBondContact O-N 3.4Å
101Y85.9Confident76.8Confident209 Ų209134 Ų13482%0.8267%0.667SS**PPolyproline II helixtrans-87.6141.4173.1-66.2-86.7000109.2S103Y101-S103 PolarHBondContact O-N 2.76Å
102I77.6Confident75.8Confident167 Ų167132.5 Ų132.586%0.85666%0.659SS**  trans-71.1103175.3-58171.7000107.6
103S72Confident74.9Confident48 Ų48129.4 Ų129.434%0.33664%0.644SS.*  trans-85.2161.5171.272.30000111.1Y101 D105Y101-S103 PolarHBondContact O-N 2.76Å; S103-D105 WeakPolarHBondContact CB-OD2 3.26Å; S103-D105 PolarHBondContact O-N 2.73Å; S103-D105 WeakPolarHBondContact OG-CB 3.47Å; S103-D105 PolarHBondContact OG-N 3.28Å; S103-D105 PolarHBondContact OG-OD2 3.39Å
104S72.9Confident73.9Confident96 Ų96129.8 Ų129.867%0.67165%0.651SS**  trans-72.14.2172.748.10000113.6F106S104-F106 PolarHBondContact O-N 2.98Å
105D65.4Low72.9Confident100 Ų100131.6 Ų131.654%0.53565%0.646SS.*  trans-74.9130.9-169.4-58.2-43.7000112.4S103 G107 Y109S103-D105 WeakPolarHBondContact CB-OD2 3.26Å; S103-D105 PolarHBondContact O-N 2.73Å; S103-D105 WeakPolarHBondContact OG-CB 3.47Å; S103-D105 PolarHBondContact OG-N 3.28Å; S103-D105 PolarHBondContact OG-OD2 3.39Å; D105-G107 PolarHBondContact O-N 3.45Å; D105-Y109 WeakPolarHBondContact O-CD2 3.4Å; D105-Y109 VanDerWaalsContact O-CE2 3.32Å; D105-Y109 WeakPolarHBondContact O-CE2 3.36Å
106F58.1Low71.7Confident134 Ų134122.8 Ų122.859%0.58862%0.62SS**G310 helixtrans-56.4-18-171-73.5-96.2000115S104 N108 Y109 L122S104-F106 PolarHBondContact O-N 2.98Å; F106-N108 PolarHBondContact O-N 3.48Å; F106-Y109 PolarHBondContact O-N 3.12Å; F106-Y109 VanDerWaalsContact O-N 3.13Å; F106-L122 HydrophobicContact CD1-CD2 3.62Å; F106-L122 HydrophobicContact CD1-CG 4.05Å; F106-L122 HydrophobicContact CE1-CB 4.34Å; F106-L122 HydrophobicContact CE1-CD2 3.71Å; F106-L122 HydrophobicContact CE1-CG 3.59Å; F106-L122 HydrophobicContact CG-CD2 4.48Å; F106-L122 HydrophobicContact CZ-CG 4.35Å
107G64.3Low70.4Confident62 Ų62121.6 Ų121.664%0.63961%0.609SS**G310 helixtrans-62.8-34.4-175.100000114.9D105 Y109D105-G107 PolarHBondContact O-N 3.45Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; G107-Y109 PolarHBondContact O-N 3.12Å
108N58.9Low69.5Low104 Ų104116.2 Ų116.256%0.55660%0.596SS**G310 helixtrans-77-19.7178.1-72.4-31.2000113F106 S110F106-N108 PolarHBondContact O-N 3.48Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.38Å
109Y56.7Low68.4Low48 Ų48114 Ų11419%0.18859%0.593CS.*G310 helixtrans-80.7-12.2-177.1-58.6-90.3000113.2D105 F106 G107 R111 L112 L120 L122D105-Y109 WeakPolarHBondContact O-CD2 3.4Å; D105-Y109 VanDerWaalsContact O-CE2 3.32Å; D105-Y109 WeakPolarHBondContact O-CE2 3.36Å; F106-Y109 PolarHBondContact O-N 3.12Å; F106-Y109 VanDerWaalsContact O-N 3.13Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; G107-Y109 PolarHBondContact O-N 3.12Å; Y109-R111 PolarHBondContact O-N 3.2Å; Y109-L112 HydrophobicContact CD1-CD1 3.4Å; Y109-L112 VanDerWaalsContact CD1-CD1 3.4Å; Y109-L112 HydrophobicContact CD1-CG 4.48Å; Y109-L112 HydrophobicContact CE1-CD1 4.19Å; Y109-L112 HydrophobicContact CG-CD1 4.23Å; Y109-L112 WeakPolarHBondContact O-CB 3.43Å; Y109-L112 PolarHBondContact O-N 3.49Å; Y109-L120 HydrophobicContact CD1-CD2 3.87Å; Y109-L120 HydrophobicContact CE1-CD2 3.27Å; Y109-L122 HydrophobicContact CD1-CD2 3.53Å; Y109-L122 HydrophobicContact CD2-CD2 3.56Å; Y109-L122 HydrophobicContact CE1-CD2 3.98Å; Y109-L122 HydrophobicContact CE2-CD2 3.92Å; Y109-L122 HydrophobicContact CG-CD2 3.32Å
110S59.5Low67.2Low101 Ų101112.9 Ų112.971%0.70658%0.582SS**G310 helixtrans-60.9-28.2174.8-169.10000112.3N108N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.38Å
111R61.2Low66Low223 Ų223106.6 Ų106.684%0.84257%0.566SS**G310 helixtrans-82.9-9.2175.9-54.3-170.6-151.8-152.95.9114Y109Y109-R111 PolarHBondContact O-N 3.2Å
112L63.1Low64.8Low65 Ų6598.6 Ų98.634%0.3454%0.537SS..SBendtrans-78.1133.7178.8-64.9-177.5000110.1Y109 A116 R117Y109-L112 HydrophobicContact CD1-CD1 3.4Å; Y109-L112 VanDerWaalsContact CD1-CD1 3.4Å; Y109-L112 HydrophobicContact CD1-CG 4.48Å; Y109-L112 HydrophobicContact CE1-CD1 4.19Å; Y109-L112 HydrophobicContact CG-CD1 4.23Å; Y109-L112 WeakPolarHBondContact O-CB 3.43Å; Y109-L112 PolarHBondContact O-N 3.49Å; L112-A116 HydrophobicContact CB-CB 4.01Å; L112-A116 HydrophobicContact CD1-CB 4.48Å; L112-R117 HydrophobicContact CB-CG 3.97Å
113S66.9Low63.7Low82 Ų8292.1 Ų92.157%0.57351%0.505SS*.  trans-49.6145.6169.71760000110.8K115 A116 R117S113-K115 PolarHBondContact O-N 3.35Å; S113-A116 WeakPolarHBondContact O-CA 3.3Å; S113-A116 WeakPolarHBondContact O-CB 3.46Å; S113-A116 PolarHBondContact O-N 3.36Å; S113-R117 PolarHBondContact O-N 3.05Å; S113-R117 VanDerWaalsContact O-N 3.14Å
114A67.1Low62.8Low50 Ų5093.9 Ų93.941%0.41352%0.523SS..Hα-helixtrans-47.3-38.4178.300000113.1A116 R117 I118A114-A116 PolarHBondContact O-N 3.09Å; A114-R117 PolarHBondContact O-N 2.75Å; A114-I118 VanDerWaalsContact O-CG1 3.31Å; A114-I118 WeakPolarHBondContact O-CG1 3.22Å; A114-I118 PolarHBondContact O-N 3.44Å; A114-I118 VanDerWaalsContact O-N 3.11Å
115K68.3Low61.9Low175 Ų17593.4 Ų93.476%0.76153%0.525SS*.Hα-helixtrans-62.8-39.8175.7-70.6-176.3177.5177.80113.3S113 K119S113-K115 PolarHBondContact O-N 3.35Å; K115-K119 PolarHBondContact O-N 3.28Å; K115-K119 VanDerWaalsContact O-N 3.15Å
116A67.8Low61.3Low37 Ų3794.8 Ų94.831%0.30653%0.532SS..Hα-helixtrans-70.7-35.8178.700000111.6L112 S113 A114 K119 L120L112-A116 HydrophobicContact CB-CB 4.01Å; L112-A116 HydrophobicContact CD1-CB 4.48Å; S113-A116 WeakPolarHBondContact O-CA 3.3Å; S113-A116 WeakPolarHBondContact O-CB 3.46Å; S113-A116 PolarHBondContact O-N 3.36Å; A114-A116 PolarHBondContact O-N 3.09Å; A116-K119 PolarHBondContact O-N 2.89Å; A116-L120 PolarHBondContact O-N 3.14Å; A116-L120 VanDerWaalsContact O-N 3.17Å
117R62.8Low60.6Low90 Ų9096.2 Ų96.234%0.3454%0.539SS..Hα-helixtrans-67.8-39.6175.7-50.7-174.4-45.4-1494112.8L112 S113 A114 L120 G121 L122 T123L112-R117 HydrophobicContact CB-CG 3.97Å; S113-R117 PolarHBondContact O-N 3.05Å; S113-R117 VanDerWaalsContact O-N 3.14Å; A114-R117 PolarHBondContact O-N 2.75Å; R117-L120 PolarHBondContact O-N 3.45Å; R117-G121 PolarHBondContact O-N 3.23Å; R117-L122 PolarHBondContact O-N 2.97Å; R117-T123 HydrophobicContact CB-CG2 3.37Å; R117-T123 HydrophobicContact CG-CG2 4.46Å
118I67.3Low59.7Low112 Ų112101.8 Ų101.857%0.57455%0.548SS*.Hα-helixtrans-63.4-45.2176-66.9164.2000110.3A114 L120 G121 T123A114-I118 VanDerWaalsContact O-CG1 3.31Å; A114-I118 WeakPolarHBondContact O-CG1 3.22Å; A114-I118 PolarHBondContact O-N 3.44Å; A114-I118 VanDerWaalsContact O-N 3.11Å; I118-L120 PolarHBondContact O-N 3.19Å; I118-G121 PolarHBondContact O-N 2.96Å; I118-G121 VanDerWaalsContact O-N 3.11Å; I118-T123 HydrophobicContact CG1-CG2 4.35Å
119K65.9Low59.1Low190 Ų190104.4 Ų104.483%0.82656%0.557SS**Hα-helixtrans-63.8-28.7179.6-167.2174.8-177.9-178.20113.1K115 A116 G121K115-K119 PolarHBondContact O-N 3.28Å; K115-K119 VanDerWaalsContact O-N 3.15Å; A116-K119 PolarHBondContact O-N 2.89Å; K119-G121 VanDerWaalsContact C-N 3.35Å
120L63.5Low58.8Low95 Ų95111.2 Ų111.250%0.49759%0.59SS.*THydrogen-bonded Turntrans-87.41.1177.5-121.882.2000114.1Y109 A116 R117 I118 L122Y109-L120 HydrophobicContact CD1-CD2 3.87Å; Y109-L120 HydrophobicContact CE1-CD2 3.27Å; A116-L120 PolarHBondContact O-N 3.14Å; A116-L120 VanDerWaalsContact O-N 3.17Å; R117-L120 PolarHBondContact O-N 3.45Å; I118-L120 PolarHBondContact O-N 3.19Å; L120-L122 HydrophobicContact CB-CD1 4.16Å; L120-L122 HydrophobicContact CD2-CD1 4.17Å; L120-L122 WeakPolarHBondContact O-CD1 3.43Å; L120-L122 PolarHBondContact O-N 2.9Å; L120-L122 VanDerWaalsContact O-N 3.17Å
121G61.2Low58.5Low50 Ų50110.5 Ų110.552%0.51558%0.582SS.*THydrogen-bonded Turntrans71.13-179.300000115R117 I118 K119 T123R117-G121 PolarHBondContact O-N 3.23Å; I118-G121 PolarHBondContact O-N 2.96Å; I118-G121 VanDerWaalsContact O-N 3.11Å; K119-G121 VanDerWaalsContact C-N 3.35Å; G121-T123 VanDerWaalsContact C-N 3.35Å; G121-T123 PolarHBondContact O-N 2.85Å
122L59.9Low58.4Low42 Ų42103.5 Ų103.522%0.2257%0.565CS.*THydrogen-bonded Turntrans-76.4-18-174.1-101.875.8000114.1F106 Y109 R117 L120F106-L122 HydrophobicContact CD1-CD2 3.62Å; F106-L122 HydrophobicContact CD1-CG 4.05Å; F106-L122 HydrophobicContact CE1-CB 4.34Å; F106-L122 HydrophobicContact CE1-CD2 3.71Å; F106-L122 HydrophobicContact CE1-CG 3.59Å; F106-L122 HydrophobicContact CG-CD2 4.48Å; F106-L122 HydrophobicContact CZ-CG 4.35Å; Y109-L122 HydrophobicContact CD1-CD2 3.53Å; Y109-L122 HydrophobicContact CD2-CD2 3.56Å; Y109-L122 HydrophobicContact CE1-CD2 3.98Å; Y109-L122 HydrophobicContact CE2-CD2 3.92Å; Y109-L122 HydrophobicContact CG-CD2 3.32Å; R117-L122 PolarHBondContact O-N 2.97Å; L120-L122 HydrophobicContact CB-CD1 4.16Å; L120-L122 HydrophobicContact CD2-CD1 4.17Å; L120-L122 WeakPolarHBondContact O-CD1 3.43Å; L120-L122 PolarHBondContact O-N 2.9Å; L120-L122 VanDerWaalsContact O-N 3.17Å
123T55.6Low58.4Low30 Ų30103.9 Ų103.918%0.18457%0.57CS.*THydrogen-bonded Turntrans-85.6-4.6-179.452.40000114R117 I118 G121R117-T123 HydrophobicContact CB-CG2 3.37Å; R117-T123 HydrophobicContact CG-CG2 4.46Å; I118-T123 HydrophobicContact CG1-CG2 4.35Å; G121-T123 VanDerWaalsContact C-N 3.35Å; G121-T123 PolarHBondContact O-N 2.85Å
124A52.6Low58.8Low86 Ų86106.8 Ų106.871%0.71157%0.57SS**SBendtrans-81.1-23.1-170.300000114.2
125A53.8Low59.4Low86 Ų86114.4 Ų114.471%0.71159%0.587SS**SBendtrans-92.2-18.8-174.700000114.6
126N52.5Low60.2Low128 Ų128108.8 Ų108.868%0.68457%0.571SS**SBendtrans-112.45.1-172.4-65.1-13.4000114.2Q128N126-Q128 PolarHBondContact O-N 3.48Å
127F44.5Very low61.2Low165 Ų165116.2 Ų116.272%0.72459%0.591SS**  trans-8159159.1-91.6-89.2000108.5E129F127-E129 VanDerWaalsContact C-N 3.29Å; F127-E129 PolarHBondContact O-N 2.97Å
128Q45.5Very low62.5Low179 Ų179119.3 Ų119.384%0.83661%0.609SS**  trans-67.5105.7156.3-164.3170.9-18.800103.7N126 E130N126-Q128 PolarHBondContact O-N 3.48Å; Q128-E130 PolarHBondContact O-N 3.23Å; Q128-E130 VanDerWaalsContact O-N 3.1Å
129E44.9Very low63.5Low158 Ų158115.4 Ų115.474%0.73859%0.592SS**  trans-37.2122.1178.1-65.6178.9155.900108.6F127 T131F127-E129 VanDerWaalsContact C-N 3.29Å; F127-E129 PolarHBondContact O-N 2.97Å; E129-T131 PolarHBondContact O-N 3.45Å
130E50.4Low64.6Low192 Ų192110.8 Ų110.890%0.89757%0.573SS**  trans-61.976.9164-71-176.8174.800106.5Q128 P132Q128-E130 PolarHBondContact O-N 3.23Å; Q128-E130 VanDerWaalsContact O-N 3.1Å; E130-P132 WeakPolarHBondContact O-CD 3.49Å
131T53.9Low65.9Low86 Ų86110.8 Ų110.853%0.52857%0.573SS.*  trans-53.1127.2164.7540000104.3E129 V133E129-T131 PolarHBondContact O-N 3.45Å; T131-V133 VanDerWaalsContact O-CG2 3.27Å; T131-V133 WeakPolarHBondContact O-CG2 3.26Å; T131-V133 PolarHBondContact O-N 3.42Å
132P58.3Low67.3Low76 Ų76115.4 Ų115.449%0.49458%0.581SS.*  trans-70.885.2-178.725.5-31.1000107.6E130 Y134 R135E130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-Y134 PolarHBondContact O-N 3.27Å; P132-R135 HydrophobicContact CB-CG 4.13Å; P132-R135 HydrophobicContact CG-CG 4.13Å; P132-R135 VanDerWaalsContact O-CG 3.32Å; P132-R135 WeakPolarHBondContact O-CG 3.34Å
133V64.5Low68.6Low72 Ų72114.4 Ų114.444%0.43658%0.579SS.*THydrogen-bonded Turntrans-63.3-10.8-171.8177.50000111.8T131 S139T131-V133 VanDerWaalsContact O-CG2 3.27Å; T131-V133 WeakPolarHBondContact O-CG2 3.26Å; T131-V133 PolarHBondContact O-N 3.42Å; V133-S139 PolarHBondContact O-OG 2.74Å
134Y74Confident70.2Confident144 Ų144117.3 Ų117.357%0.56559%0.592SS**THydrogen-bonded Turntrans-117.736.1-170-50.6-53.3000113.8P132 Q140 A143P132-Y134 PolarHBondContact O-N 3.27Å; Y134-Q140 PolarHBondContact O-NE2 2.83Å; Y134-A143 HydrophobicContact CD1-CB 3.81Å; Y134-A143 HydrophobicContact CE1-CB 3.31Å
135R79Confident72Confident209 Ų209114.8 Ų114.879%0.78957%0.574SS**SBendtrans-71.6-42.6-177.8-74.3-92.3-176.6106.5-2.1114.1P132P132-R135 HydrophobicContact CB-CG 4.13Å; P132-R135 HydrophobicContact CG-CG 4.13Å; P132-R135 VanDerWaalsContact O-CG 3.32Å; P132-R135 WeakPolarHBondContact O-CG 3.34Å
136S86.3Confident73.7Confident58 Ų58118.1 Ų118.141%0.40657%0.569SS.*SBendtrans-101.8151.3-178.667.60000111.4E138 S139 Q140S136-E138 PolarHBondContact O-N 3.48Å; S136-S139 PolarHBondContact O-N 3.4Å; S136-S139 VanDerWaalsContact O-N 3.12Å; S136-S139 WeakPolarHBondContact OG-CB 3.17Å; S136-S139 PolarHBondContact OG-N 3.4Å; S136-S139 VanDerWaalsContact OG-N 3.08Å; S136-Q140 WeakPolarHBondContact O-CG 3.5Å; S136-Q140 PolarHBondContact O-N 3.26Å
137R89.4Confident75.3Confident193 Ų193115.7 Ų115.773%0.72856%0.559SS**Hα-helixtrans-55.1-39.2173.1179.8175.5178.7-101.70.2111.7Q140 L141R137-Q140 PolarHBondContact O-N 3.21Å; R137-L141 HydrophobicContact CG-CD1 4.25Å; R137-L141 WeakPolarHBondContact O-CG 2.92Å; R137-L141 PolarHBondContact O-N 2.73Å
138E90Very high77.4Confident154 Ų154115.1 Ų115.172%0.7256%0.556SS**Hα-helixtrans-65.3-43176.9-66.7176.317800111.9S136 Q140 L141 Q142S136-E138 PolarHBondContact O-N 3.48Å; E138-Q140 VanDerWaalsContact C-N 3.31Å; E138-Q140 PolarHBondContact O-N 3.12Å; E138-L141 PolarHBondContact O-N 3.03Å; E138-Q142 WeakPolarHBondContact O-CB 3.5Å; E138-Q142 PolarHBondContact O-N 2.81Å
139S87.7Confident79.3Confident31 Ų31112.7 Ų112.722%0.21755%0.545CS..Hα-helixtrans-64.4-37.6176.4-162.60000111.9V133 S136 A143V133-S139 PolarHBondContact O-OG 2.74Å; S136-S139 PolarHBondContact O-N 3.4Å; S136-S139 VanDerWaalsContact O-N 3.12Å; S136-S139 WeakPolarHBondContact OG-CB 3.17Å; S136-S139 PolarHBondContact OG-N 3.4Å; S136-S139 VanDerWaalsContact OG-N 3.08Å; S139-A143 VanDerWaalsContact O-CB 3.29Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.03Å
140Q89.4Confident81.3Confident92 Ų92109 Ų10943%0.4353%0.527SS..Hα-helixtrans-63.8-47.8173.8-71.7172.59.700111.9Y134 S136 R137 E138 Q142 A143 I144Y134-Q140 PolarHBondContact O-NE2 2.83Å; S136-Q140 WeakPolarHBondContact O-CG 3.5Å; S136-Q140 PolarHBondContact O-N 3.26Å; R137-Q140 PolarHBondContact O-N 3.21Å; E138-Q140 VanDerWaalsContact C-N 3.31Å; E138-Q140 PolarHBondContact O-N 3.12Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q140-Q142 PolarHBondContact O-N 2.95Å; Q140-A143 PolarHBondContact O-N 2.86Å; Q140-I144 VanDerWaalsContact O-CG1 3.31Å; Q140-I144 WeakPolarHBondContact O-CG1 3.12Å; Q140-I144 PolarHBondContact O-N 3.29Å
141L90.8Very high82.8Confident95 Ų95104.8 Ų104.850%0.49752%0.515SS..Hα-helixtrans-62.9-41177.6-71.4172.7000111.9R137 E138 A143 I144 G145R137-L141 HydrophobicContact CG-CD1 4.25Å; R137-L141 WeakPolarHBondContact O-CG 2.92Å; R137-L141 PolarHBondContact O-N 2.73Å; E138-L141 PolarHBondContact O-N 3.03Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-I144 PolarHBondContact O-N 3.13Å; L141-G145 PolarHBondContact O-N 3.05Å
142Q89.9Confident83.8Confident147 Ų147108 Ų10869%0.68752%0.524SS*.Hα-helixtrans-63.4-41.8176-173.1-179.613.700111.5E138 Q140 G145 R146E138-Q142 WeakPolarHBondContact O-CB 3.5Å; E138-Q142 PolarHBondContact O-N 2.81Å; Q140-Q142 VanDerWaalsContact C-N 3.34Å; Q140-Q142 PolarHBondContact O-N 2.95Å; Q142-G145 PolarHBondContact O-N 3.1Å; Q142-R146 WeakPolarHBondContact O-CB 3.04Å; Q142-R146 PolarHBondContact O-N 3.21Å
143A88.4Confident84.5Confident21 Ų21112.2 Ų112.217%0.17453%0.534CS..Hα-helixtrans-64-42.6176.100000112.6Y134 S139 Q140 L141 R146 T147Y134-A143 HydrophobicContact CD1-CB 3.81Å; Y134-A143 HydrophobicContact CE1-CB 3.31Å; S139-A143 VanDerWaalsContact O-CB 3.29Å; S139-A143 WeakPolarHBondContact O-CB 3.47Å; S139-A143 PolarHBondContact O-N 3.03Å; Q140-A143 PolarHBondContact O-N 2.86Å; L141-A143 VanDerWaalsContact C-N 3.35Å; A143-R146 WeakPolarHBondContact O-CB 3.36Å; A143-R146 PolarHBondContact O-N 3.09Å; A143-T147 WeakPolarHBondContact O-CG2 3.16Å; A143-T147 PolarHBondContact O-N 3.35Å
144I88.9Confident84.7Confident92 Ų92111.8 Ų111.847%0.47254%0.538SS..Hα-helixtrans-60.2-49.5175-68.5166.1000109.9Q140 L141 R146 T147 F148Q140-I144 VanDerWaalsContact O-CG1 3.31Å; Q140-I144 WeakPolarHBondContact O-CG1 3.12Å; Q140-I144 PolarHBondContact O-N 3.29Å; L141-I144 PolarHBondContact O-N 3.13Å; I144-R146 VanDerWaalsContact C-N 3.26Å; I144-R146 PolarHBondContact O-N 3.28Å; I144-T147 PolarHBondContact O-N 3.02Å; I144-T147 VanDerWaalsContact O-N 3.09Å; I144-T147 PolarHBondContact O-OG1 3.42Å; I144-F148 HydrophobicContact CG2-CD2 4.2Å; I144-F148 HydrophobicContact CG2-CE2 3.73Å; I144-F148 VanDerWaalsContact O-CD2 3.25Å; I144-F148 WeakPolarHBondContact O-CD2 3.46Å; I144-F148 PolarHBondContact O-N 2.83Å
145G90.1Very high84.4Confident32 Ų32111.3 Ų111.333%0.3354%0.535SS..Hα-helixtrans-56.9-40.7176.500000112.6L141 Q142 T147 F148 E149L141-G145 PolarHBondContact O-N 3.05Å; Q142-G145 PolarHBondContact O-N 3.1Å; G145-T147 VanDerWaalsContact C-N 3.35Å; G145-T147 PolarHBondContact O-N 3.31Å; G145-F148 PolarHBondContact O-N 3.26Å; G145-E149 PolarHBondContact O-N 3.16Å
146R88.7Confident83.7Confident156 Ų156108 Ų10859%0.58953%0.533SS*.Hα-helixtrans-62-38.4176.5-175175.2176.5-175.5-6112.8Q142 A143 I144 F148 E149 E150Q142-R146 WeakPolarHBondContact O-CB 3.04Å; Q142-R146 PolarHBondContact O-N 3.21Å; A143-R146 WeakPolarHBondContact O-CB 3.36Å; A143-R146 PolarHBondContact O-N 3.09Å; I144-R146 VanDerWaalsContact C-N 3.26Å; I144-R146 PolarHBondContact O-N 3.28Å; R146-F148 VanDerWaalsContact C-N 3.32Å; R146-F148 PolarHBondContact O-N 2.93Å; R146-E149 PolarHBondContact O-N 2.9Å; R146-E150 HydrophobicContact CG-CG 4.11Å; R146-E150 IonicContact CZ-OE1 2.86Å; R146-E150 IonicContact NE-OE1 3.56Å; R146-E150 PolarHBondContact NE-OE1 3.39Å; R146-E150 IonicContact NH2-OE1 2.69Å; R146-E150 PolarHBondContact NH2-OE1 2.58Å; R146-E150 WeakPolarHBondContact O-CB 3.1Å; R146-E150 WeakPolarHBondContact O-CG 3.1Å; R146-E150 PolarHBondContact O-N 3.04Å
147T87.1Confident82.7Confident78 Ų78112.2 Ų112.248%0.47955%0.546SS..Hα-helixtrans-61.9-39.9177.359.90000112.2A143 I144 G145 E149 E150 V151A143-T147 WeakPolarHBondContact O-CG2 3.16Å; A143-T147 PolarHBondContact O-N 3.35Å; I144-T147 PolarHBondContact O-N 3.02Å; I144-T147 VanDerWaalsContact O-N 3.09Å; I144-T147 PolarHBondContact O-OG1 3.42Å; G145-T147 VanDerWaalsContact C-N 3.35Å; G145-T147 PolarHBondContact O-N 3.31Å; T147-E149 PolarHBondContact O-N 3.48Å; T147-E150 PolarHBondContact O-N 3.29Å; T147-V151 WeakPolarHBondContact O-CG2 3.48Å; T147-V151 PolarHBondContact O-N 2.67Å
148F87.6Confident82Confident153 Ų153109.1 Ų109.167%0.67154%0.538SS*.Hα-helixtrans-66.2-36.8176.7-72-75.4000112.7I144 G145 R146I144-F148 HydrophobicContact CG2-CD2 4.2Å; I144-F148 HydrophobicContact CG2-CE2 3.73Å; I144-F148 VanDerWaalsContact O-CD2 3.25Å; I144-F148 WeakPolarHBondContact O-CD2 3.46Å; I144-F148 PolarHBondContact O-N 2.83Å; G145-F148 PolarHBondContact O-N 3.26Å; R146-F148 VanDerWaalsContact C-N 3.32Å; R146-F148 PolarHBondContact O-N 2.93Å
149E86.3Confident81.4Confident128 Ų128108.5 Ų108.560%0.59855%0.547SS*.Hα-helixtrans-74.1-31.2175.8-67.1-179.4-170.800113.3G145 R146 T147G145-E149 PolarHBondContact O-N 3.16Å; R146-E149 PolarHBondContact O-N 2.9Å; T147-E149 PolarHBondContact O-N 3.48Å
150E85.9Confident81Confident79 Ų79111.1 Ų111.137%0.36958%0.579SS.*Hα-helixtrans-76.6-25.8-178.9-78.7-177.5169.600112.8R146 T147 E152 K153 A154R146-E150 HydrophobicContact CG-CG 4.11Å; R146-E150 IonicContact CZ-OE1 2.86Å; R146-E150 IonicContact NE-OE1 3.56Å; R146-E150 PolarHBondContact NE-OE1 3.39Å; R146-E150 IonicContact NH2-OE1 2.69Å; R146-E150 PolarHBondContact NH2-OE1 2.58Å; R146-E150 WeakPolarHBondContact O-CB 3.1Å; R146-E150 WeakPolarHBondContact O-CG 3.1Å; R146-E150 PolarHBondContact O-N 3.04Å; T147-E150 PolarHBondContact O-N 3.29Å; E150-E152 VanDerWaalsContact C-N 3.26Å; E150-E152 PolarHBondContact O-N 3.49Å; E150-K153 CarbonylContact O-C 3.52Å; E150-K153 PolarHBondContact O-N 2.79Å; E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 2.88Å
151V83.2Confident80.6Confident104 Ų104112.6 Ų112.663%0.6359%0.589SS**Hα-helixtrans-53.9-43.9176.7168.50000111.5T147 K153T147-V151 WeakPolarHBondContact O-CG2 3.48Å; T147-V151 PolarHBondContact O-N 2.67Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.78Å
152E74.2Confident80.2Confident155 Ų155112.3 Ų112.372%0.72460%0.601SS**Hα-helixtrans-64.5-33.7177.3-66.1-64138.200112.8E150E150-E152 VanDerWaalsContact C-N 3.26Å; E150-E152 PolarHBondContact O-N 3.49Å
153K73Confident79.8Confident163 Ų163108.9 Ų108.971%0.70959%0.586SS**Hα-helixtrans-90.5-23.4-176.5-65.6174.5-175162.50113.1E150 V151 R155E150-K153 CarbonylContact O-C 3.52Å; E150-K153 PolarHBondContact O-N 2.79Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 2.78Å; K153-R155 PolarHBondContact O-N 3.26Å; K153-R155 VanDerWaalsContact O-N 3.14Å
154A68Low79.7Confident63 Ų63116 Ų11652%0.52162%0.62SS.*  trans-78.714.5-178.300000112.7E150 L156E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 2.88Å; A154-L156 VanDerWaalsContact C-N 3.28Å; A154-L156 PolarHBondContact O-N 2.91Å
155R67.8Low79.5Confident134 Ų134118.7 Ų118.751%0.50663%0.63SS.*  trans-5690.1168.4-170.9178.9169.5127.4-0.1109.5K153 E157 I163 E166K153-R155 PolarHBondContact O-N 3.26Å; K153-R155 VanDerWaalsContact O-N 3.14Å; R155-E157 VanDerWaalsContact C-N 3.31Å; R155-E157 HydrophobicContact CG-CG 4.37Å; R155-E157 IonicContact NE-OE1 3.19Å; R155-E157 PolarHBondContact NE-OE1 2.83Å; R155-E157 PolarHBondContact O-N 3.04Å; R155-I163 HydrophobicContact CG-CD1 3.55Å; R155-E166 IonicContact NH1-OE1 3.45Å
156L65.3Low79.1Confident141 Ų141123 Ų12374%0.73864%0.642SS**  trans-73.185.6-178.2-78.1165000109.3A154 K158A154-L156 VanDerWaalsContact C-N 3.28Å; A154-L156 PolarHBondContact O-N 2.91Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.39Å
157E65.8Low79Confident146 Ų146122.7 Ų122.768%0.68265%0.649SS**  trans-71.291.1168.9-63.7-169.1167.700109.1R155R155-E157 VanDerWaalsContact C-N 3.31Å; R155-E157 HydrophobicContact CG-CG 4.37Å; R155-E157 IonicContact NE-OE1 3.19Å; R155-E157 PolarHBondContact NE-OE1 2.83Å; R155-E157 PolarHBondContact O-N 3.04Å
158K73.5Confident78.9Confident128 Ų128123.6 Ų123.656%0.55766%0.656SS**  trans-79.3127.9165.5-71.9178.5-179173.80107.8L156 G160 L161L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.39Å; K158-G160 PolarHBondContact O-N 3.46Å; K158-G160 VanDerWaalsContact O-N 3.09Å; K158-L161 HydrophobicContact CB-CB 4.2Å; K158-L161 HydrophobicContact CB-CD1 3.74Å; K158-L161 HydrophobicContact CD-CD1 3.72Å; K158-L161 HydrophobicContact CG-CD1 4.36Å; K158-L161 PolarHBondContact O-N 3.13Å
159P77.6Confident78.7Confident141 Ų141124.7 Ų124.792%0.91667%0.667SS**THydrogen-bonded Turntrans-58.5120.6177.823.9-32.3000109.6
160G80.1Confident78.5Confident86 Ų86124.3 Ų124.389%0.88767%0.669SS**THydrogen-bonded Turntrans99.1-3.8-17700000115.7K158K158-G160 PolarHBondContact O-N 3.46Å; K158-G160 VanDerWaalsContact O-N 3.09Å
161L81.5Confident78Confident122 Ų122124 Ų12464%0.63967%0.674SS**  trans-115.4118172.5-76.3154.7000109.2K158K158-L161 HydrophobicContact CB-CB 4.2Å; K158-L161 HydrophobicContact CB-CD1 3.74Å; K158-L161 HydrophobicContact CD-CD1 3.72Å; K158-L161 HydrophobicContact CG-CD1 4.36Å; K158-L161 PolarHBondContact O-N 3.13Å
162A82.3Confident77.5Confident89 Ų89122 Ų12274%0.73666%0.659SS**  trans-99.1136.1171.200000109.2I164A162-I164 PolarHBondContact O-N 3.45Å
163I81.5Confident77.6Confident75 Ų75121.6 Ų121.639%0.38566%0.655SS.*  trans-74.8123174-59169.2000107.5R155 E166R155-I163 HydrophobicContact CG-CD1 3.55Å; I163-E166 HydrophobicContact CG2-CG 3.58Å
164I85.4Confident77.7Confident171 Ų171121.3 Ų121.388%0.87766%0.657SS**  trans-88-46.2-177.7-63171.9000110.4A162A162-I164 PolarHBondContact O-N 3.45Å
165E84.8Confident77.8Confident149 Ų149120.1 Ų120.170%0.69664%0.64SS**  trans-147.7138.4-176.2-172.1177.5174.500109.4
166E82.2Confident77.9Confident121 Ų121123.5 Ų123.557%0.56565%0.653SS**  trans-114.5117.4174.3-67.3178.1-179.600107.8R155 I163R155-E166 IonicContact NH1-OE1 3.45Å; I163-E166 HydrophobicContact CG2-CG 3.58Å
167M85.2Confident78.3Confident150 Ų150125.3 Ų125.374%0.73966%0.655SS**  trans-109.5115.3-178.4-167.6-177.9-51.900109.5
168P85.2Confident78.5Confident97 Ų97122.3 Ų122.363%0.6364%0.644SS**  trans-73134.1-179.931.1-34.8000110.1L170P168-L170 VanDerWaalsContact C-N 3.31Å; P168-L170 HydrophobicContact CB-CD1 4.38Å; P168-L170 HydrophobicContact CB-CG 4.17Å; P168-L170 HydrophobicContact CG-CD1 4.34Å; P168-L170 PolarHBondContact O-N 3.29Å
169I83.2Confident78.2Confident176 Ų176121.3 Ų121.390%0.90366%0.659SS**  trans-83.683.1174.7-54.5173.5000107.6
170L82Confident77.6Confident121 Ų121119.5 Ų119.563%0.63465%0.649SS**PPolyproline II helixtrans-100.8145.9173.3-64.5174.7000109.7P168 D172P168-L170 VanDerWaalsContact C-N 3.31Å; P168-L170 HydrophobicContact CB-CD1 4.38Å; P168-L170 HydrophobicContact CB-CG 4.17Å; P168-L170 HydrophobicContact CG-CD1 4.34Å; P168-L170 PolarHBondContact O-N 3.29Å; L170-D172 PolarHBondContact O-N 3.43Å
171P75.7Confident76.8Confident73 Ų73118 Ų11847%0.47463%0.627SS.*PPolyproline II helixtrans-59.4134165.526.2-31.4000108.5F173P171-F173 HydrophobicContact CG-CE1 4.05Å; P171-F173 HydrophobicContact CG-CE2 4.28Å; P171-F173 HydrophobicContact CG-CZ 3.66Å; P171-F173 VanDerWaalsContact O-CD2 3.24Å; P171-F173 WeakPolarHBondContact O-CD2 3.44Å; P171-F173 VanDerWaalsContact O-CE2 3.25Å; P171-F173 WeakPolarHBondContact O-CE2 3.5Å; P171-F173 PolarHBondContact O-N 3.33Å
172D74Confident76.2Confident61 Ų61117.5 Ų117.533%0.32662%0.622SS.*PPolyproline II helixtrans-72.6116.2-175.3-169.7-29.5000110.7L170 E174 M175 W176L170-D172 PolarHBondContact O-N 3.43Å; D172-E174 PolarHBondContact OD1-N 3.04Å; D172-M175 HydrophobicContact CB-CB 4.43Å; D172-M175 VanDerWaalsContact CG-CB 3.41Å; D172-M175 WeakPolarHBondContact OD1-CB 3.45Å; D172-M175 WeakPolarHBondContact OD1-CG 3.44Å; D172-M175 PolarHBondContact OD1-N 3.41Å; D172-M175 WeakPolarHBondContact OD2-CB 3.46Å; D172-M175 WeakPolarHBondContact OD2-CG 3.5Å; D172-W176 WeakPolarHBondContact O-CB 3.34Å; D172-W176 PolarHBondContact O-NE1 3.2Å
173F76.2Confident75.4Confident146 Ų146115.4 Ų115.464%0.6460%0.6SS**THydrogen-bonded Turntrans-91.6-14.4-177.2-59.4-70000113.6P171P171-F173 HydrophobicContact CG-CE1 4.05Å; P171-F173 HydrophobicContact CG-CE2 4.28Å; P171-F173 HydrophobicContact CG-CZ 3.66Å; P171-F173 VanDerWaalsContact O-CD2 3.24Å; P171-F173 WeakPolarHBondContact O-CD2 3.44Å; P171-F173 VanDerWaalsContact O-CE2 3.25Å; P171-F173 WeakPolarHBondContact O-CE2 3.5Å; P171-F173 PolarHBondContact O-N 3.33Å
174E74.9Confident74.7Confident158 Ų158118.5 Ų118.574%0.73862%0.616SS**THydrogen-bonded Turntrans-97-44.3-174.7-63.9-170.9173.700110.6D172D172-E174 PolarHBondContact OD1-N 3.04Å
175M68.8Low73.9Confident37 Ų37114 Ų11418%0.18259%0.59CS.*G310 helixtrans-77.7-27.4-175.9-58-70.9-84.400112.8D172 K177 L178 E203 F205 R222D172-M175 HydrophobicContact CB-CB 4.43Å; D172-M175 VanDerWaalsContact CG-CB 3.41Å; D172-M175 WeakPolarHBondContact OD1-CB 3.45Å; D172-M175 WeakPolarHBondContact OD1-CG 3.44Å; D172-M175 PolarHBondContact OD1-N 3.41Å; D172-M175 WeakPolarHBondContact OD2-CB 3.46Å; D172-M175 WeakPolarHBondContact OD2-CG 3.5Å; M175-K177 PolarHBondContact O-N 3.45Å; M175-K177 VanDerWaalsContact O-N 3.08Å; M175-L178 WeakPolarHBondContact O-CB 3.48Å; M175-L178 PolarHBondContact O-N 3.49Å; M175-E203 WeakPolarHBondContact CE-OE2 3.39Å; M175-F205 HydrophobicContact CE-CE2 4.35Å; M175-F205 HydrophobicContact CE-CZ 4.12Å; M175-R222 VanDerWaalsContact CE-CZ 3.44Å; M175-R222 PolarHBondContact SD-NH1 3.34Å; M175-R222 PolarHBondContact SD-NH2 3.3Å
176W70.6Confident73.4Confident206 Ų206114.9 Ų114.978%0.7860%0.6SS**G310 helixtrans-62.4-19.8-177.2-83.642.9000114.1D172 L178D172-W176 WeakPolarHBondContact O-CB 3.34Å; D172-W176 PolarHBondContact O-NE1 3.2Å; W176-L178 VanDerWaalsContact C-N 3.29Å
177K74.1Confident72.8Confident179 Ų179114.7 Ų114.778%0.77861%0.606SS**G310 helixtrans-77.4-18.3176.2-61.8175-172.8169.20112.7M175M175-K177 PolarHBondContact O-N 3.45Å; M175-K177 VanDerWaalsContact O-N 3.08Å
178L69.3Low72Confident83 Ų83112 Ų11244%0.43560%0.595SS.*SBendtrans-92.6129-173.9-62.5173.5000109.5M175 W176 C180 R222M175-L178 WeakPolarHBondContact O-CB 3.48Å; M175-L178 PolarHBondContact O-N 3.49Å; W176-L178 VanDerWaalsContact C-N 3.29Å; L178-C180 PolarHBondContact O-N 2.85Å; L178-C180 VanDerWaalsContact O-N 3.08Å; L178-R222 VanDerWaalsContact CD1-CZ 3.45Å
179A67.6Low71.2Confident106 Ų106109.7 Ų109.788%0.87658%0.58SS**  trans-63.1113.2172.300000108.9
180C64.4Low70.4Confident104 Ų104104.7 Ų104.770%0.70356%0.558SS**  trans-81.5136.5166.253.90000108.8L178 F220L178-C180 PolarHBondContact O-N 2.85Å; L178-C180 VanDerWaalsContact O-N 3.08Å; C180-F220 HydrophobicContact CB-CD1 4.25Å
181A64.3Low69.6Low53 Ų53103 Ų10344%0.43855%0.554SS.*EExtended strand (participates in β ladder)trans-110.1127.9168.800000107.7V183A181-V183 HydrophobicContact CB-CG2 4.21Å; A181-V183 PolarHBondContact O-N 2.81Å
182Q67.4Low69.1Low112 Ų112109.4 Ų109.452%0.52357%0.574SS.*EExtended strand (participates in β ladder)trans-73.7115.7165.9-174-179.47.700107.3F220Q182-F220 HydrophobicContact CB-CE1 4.16Å
183V65.6Low68.5Low46 Ų46114 Ų11428%0.27960%0.599SS.*  trans-117.3112.8177.8-174.30000107.5A181 F185 Y219A181-V183 HydrophobicContact CB-CG2 4.21Å; A181-V183 PolarHBondContact O-N 2.81Å; V183-F185 HydrophobicContact CB-CE2 3.92Å; V183-F185 HydrophobicContact CB-CZ 4.16Å; V183-F185 HydrophobicContact CG1-CD2 4.21Å; V183-F185 HydrophobicContact CG1-CE1 3.98Å; V183-F185 HydrophobicContact CG1-CE2 3.65Å; V183-F185 HydrophobicContact CG1-CZ 3.52Å; V183-Y219 PolarHBondContact N-O 2.81Å
184I68.6Low67.5Low140 Ų140111.5 Ų111.572%0.71859%0.591SS**  trans-85127.3174.8-56.9172.7000107
185F66.8Low66.6Low75 Ų75110.1 Ų110.133%0.32959%0.588SS.*  trans-111.2133.4174.1-62.9-87.9000109.4V183 V187 P189V183-F185 HydrophobicContact CB-CE2 3.92Å; V183-F185 HydrophobicContact CB-CZ 4.16Å; V183-F185 HydrophobicContact CG1-CD2 4.21Å; V183-F185 HydrophobicContact CG1-CE1 3.98Å; V183-F185 HydrophobicContact CG1-CE2 3.65Å; V183-F185 HydrophobicContact CG1-CZ 3.52Å; F185-V187 VanDerWaalsContact CB-O 3.23Å; F185-V187 WeakPolarHBondContact CB-O 3.37Å; F185-V187 PolarHBondContact O-N 3.06Å; F185-P189 HydrophobicContact CB-CB 4.48Å; F185-P189 HydrophobicContact CB-CG 4.45Å; F185-P189 HydrophobicContact CD1-CB 3.98Å; F185-P189 HydrophobicContact CD2-CB 3.79Å; F185-P189 HydrophobicContact CD2-CG 3.61Å; F185-P189 HydrophobicContact CE1-CB 4.09Å; F185-P189 HydrophobicContact CE2-CB 3.9Å; F185-P189 HydrophobicContact CE2-CG 3.92Å; F185-P189 HydrophobicContact CG-CB 3.83Å; F185-P189 HydrophobicContact CG-CG 4Å; F185-P189 HydrophobicContact CZ-CB 4.04Å
186D76Confident66Low169 Ų169114.5 Ų114.590%0.90462%0.619SS**SBendtrans-68.7-17.2174.1-64.1-27.9000112.5
187V68.4Low64.9Low116 Ų116112.2 Ų112.270%0.70362%0.621SS**SBendtrans-137.6142.8-176.6-177.60000108.4F185 P189F185-V187 VanDerWaalsContact CB-O 3.23Å; F185-V187 WeakPolarHBondContact CB-O 3.37Å; F185-V187 PolarHBondContact O-N 3.06Å; V187-P189 WeakPolarHBondContact O-CD 3.32Å
188D68.9Low63.8Low93 Ų93106.1 Ų106.150%0.49760%0.604SS.*  trans-48.3114.2177.6-176.7-2.3000110.5T190D188-T190 PolarHBondContact O-N 3.06Å; D188-T190 VanDerWaalsContact OD1-CB 3.3Å; D188-T190 WeakPolarHBondContact OD1-CB 3.39Å; D188-T190 PolarHBondContact OD1-N 3.04Å; D188-T190 PolarHBondContact OD1-OG1 2.81Å
189P67.3Low62.6Low49 Ų49111.5 Ų111.532%0.31863%0.627SS.*  trans-73.4-4.8-17530.7-36.7000112.8F185 V187 P191 Y219F185-P189 HydrophobicContact CB-CB 4.48Å; F185-P189 HydrophobicContact CB-CG 4.45Å; F185-P189 HydrophobicContact CD1-CB 3.98Å; F185-P189 HydrophobicContact CD2-CB 3.79Å; F185-P189 HydrophobicContact CD2-CG 3.61Å; F185-P189 HydrophobicContact CE1-CB 4.09Å; F185-P189 HydrophobicContact CE2-CB 3.9Å; F185-P189 HydrophobicContact CE2-CG 3.92Å; F185-P189 HydrophobicContact CG-CB 3.83Å; F185-P189 HydrophobicContact CG-CG 4Å; F185-P189 HydrophobicContact CZ-CB 4.04Å; V187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-P191 VanDerWaalsContact O-CD 3.25Å; P189-P191 WeakPolarHBondContact O-CD 3.4Å; P189-Y219 HydrophobicContact CG-CD1 3.79Å; P189-Y219 HydrophobicContact CG-CD2 4.48Å; P189-Y219 HydrophobicContact CG-CE1 3.99Å; P189-Y219 HydrophobicContact CG-CG 4.04Å
190T67.8Low61.7Low72 Ų72110.9 Ų110.944%0.44261%0.613SS.*SBendtrans-68.3115.3180-44.20000110.3D188 K192D188-T190 PolarHBondContact O-N 3.06Å; D188-T190 VanDerWaalsContact OD1-CB 3.3Å; D188-T190 WeakPolarHBondContact OD1-CB 3.39Å; D188-T190 PolarHBondContact OD1-N 3.04Å; D188-T190 PolarHBondContact OD1-OG1 2.81Å; T190-K192 PolarHBondContact O-N 3.15Å
191P65.3Low60.9Low85 Ų85112.1 Ų112.155%0.55261%0.612SS**  trans-64125.8176.3-15.228.8000109.4P189 D193 M194P189-P191 VanDerWaalsContact O-CD 3.25Å; P189-P191 WeakPolarHBondContact O-CD 3.4Å; P191-D193 PolarHBondContact O-N 3.45Å; P191-M194 HydrophobicContact CB-CG 3.86Å; P191-M194 HydrophobicContact CG-CG 4Å
192K65.2Low60.3Low207 Ų207114.2 Ų114.290%0.962%0.62SS**THydrogen-bonded Turntrans-69.3-11.8-178.4-66.2-178.2-180177.80113.8T190T190-K192 PolarHBondContact O-N 3.15Å
193D60.1Low59.6Low159 Ų159112 Ų11285%0.8561%0.609SS**THydrogen-bonded Turntrans-117.222.3-171-62.6-36000113.9P191 D195P191-D193 PolarHBondContact O-N 3.45Å; D193-D195 PolarHBondContact O-N 3.08Å
194M55.8Low58.7Low93 Ų93117.8 Ų117.846%0.45863%0.63SS.*  trans-80.6119.8175.9-83.3-83.9-81.300111.4P191 A198 V200P191-M194 HydrophobicContact CB-CG 3.86Å; P191-M194 HydrophobicContact CG-CG 4Å; M194-A198 HydrophobicContact CE-CB 3.8Å; M194-A198 HydrophobicContact SD-CB 4.26Å; M194-V200 HydrophobicContact CE-CB 3.96Å; M194-V200 HydrophobicContact CE-CG2 3.53Å
195D57Low57.9Low129 Ų129115.9 Ų115.969%0.6962%0.617SS**  trans-56.9135.5165.7-87.1-38.5000109.8D193 L197 A198D193-D195 PolarHBondContact O-N 3.08Å; D195-L197 PolarHBondContact O-N 2.94Å; D195-A198 PolarHBondContact O-N 3.14Å
196P54.5Low56.9Low128 Ų128117 Ų11783%0.83164%0.64SS**THydrogen-bonded Turntrans-66.16.3-175.526.6-34.7000114.9
197L48.9Very low55.6Low158 Ų158113.9 Ų113.983%0.82762%0.623SS**THydrogen-bonded Turntrans-107.6-7.1-179-83.1120.6000114.5D195 E199D195-L197 PolarHBondContact O-N 2.94Å; L197-E199 PolarHBondContact O-N 2.83Å
198A50.3Low54.6Low51 Ų51116.5 Ų116.542%0.42163%0.631SS.*SBendtrans-84.8104.8173.500000109.2M194 D195 V200M194-A198 HydrophobicContact CE-CB 3.8Å; M194-A198 HydrophobicContact SD-CB 4.26Å; D195-A198 PolarHBondContact O-N 3.14Å; A198-V200 PolarHBondContact O-N 3.1Å
199E44.2Very low53.4Low196 Ų196115.5 Ų115.592%0.91663%0.631SS**  trans-62.163.1176.4-68.8177.4160.900112.8L197 N201L197-E199 PolarHBondContact O-N 2.83Å; E199-N201 PolarHBondContact O-N 3.18Å
200V48.7Very low52Low93 Ų93121 Ų12156%0.56466%0.659SS**  trans-87.999.4157.7-175.60000105.5M194 A198 V202M194-V200 HydrophobicContact CE-CB 3.96Å; M194-V200 HydrophobicContact CE-CG2 3.53Å; A198-V200 PolarHBondContact O-N 3.1Å; V200-V202 HydrophobicContact CB-CG2 4.39Å; V200-V202 HydrophobicContact CG1-CG2 3.69Å; V200-V202 PolarHBondContact O-N 3.33Å
201N48.7Very low50.4Low131 Ų131123.9 Ų123.970%0.70167%0.671SS**  trans-6681.9171.3-118.110.9000108.8E199 E203E199-N201 PolarHBondContact O-N 3.18Å; N201-E203 HydrophobicContact CB-CG 4.33Å; N201-E203 PolarHBondContact ND2-OE1 3.01Å; N201-E203 PolarHBondContact O-N 3.14Å
202V51.6Low49.2Very low97 Ų97125.4 Ų125.459%0.58868%0.679SS**  trans-79.280.7167.4-171.80000106.6V200 K204V200-V202 HydrophobicContact CB-CG2 4.39Å; V200-V202 HydrophobicContact CG1-CG2 3.69Å; V200-V202 PolarHBondContact O-N 3.33Å; V202-K204 PolarHBondContact O-N 3.04Å
203E51.8Low47.9Very low64 Ų64124.1 Ų124.130%0.29968%0.676SS.*  trans-75112.2176.1-70.4165.4-164.900108.7M175 N201 F205M175-E203 WeakPolarHBondContact CE-OE2 3.39Å; N201-E203 HydrophobicContact CB-CG 4.33Å; N201-E203 PolarHBondContact ND2-OE1 3.01Å; N201-E203 PolarHBondContact O-N 3.14Å; E203-F205 HydrophobicContact CB-CD2 4.17Å; E203-F205 HydrophobicContact CB-CE2 3.45Å; E203-F205 VanDerWaalsContact CB-CE2 3.45Å; E203-F205 HydrophobicContact CB-CZ 3.72Å; E203-F205 HydrophobicContact CG-CZ 4.45Å; E203-F205 WeakPolarHBondContact O-CD2 3.29Å; E203-F205 PolarHBondContact O-N 2.93Å; E203-F205 WeakPolarHBondContact OE2-CZ 3.33Å
204K46.8Very low47.1Very low168 Ų168123.3 Ų123.373%0.7367%0.672SS**  trans-81.3102.6174.8-66.3-178.3-177.9-179.70108.5V202V202-K204 PolarHBondContact O-N 3.04Å
205F51.2Low46.6Very low100 Ų100127.4 Ų127.444%0.43969%0.69SS.*PPolyproline II helixtrans-91.2119.1170.9-62.3-77.1000109.6M175 E203 L207 F220M175-F205 HydrophobicContact CE-CE2 4.35Å; M175-F205 HydrophobicContact CE-CZ 4.12Å; E203-F205 HydrophobicContact CB-CD2 4.17Å; E203-F205 HydrophobicContact CB-CE2 3.45Å; E203-F205 VanDerWaalsContact CB-CE2 3.45Å; E203-F205 HydrophobicContact CB-CZ 3.72Å; E203-F205 HydrophobicContact CG-CZ 4.45Å; E203-F205 WeakPolarHBondContact O-CD2 3.29Å; E203-F205 PolarHBondContact O-N 2.93Å; E203-F205 WeakPolarHBondContact OE2-CZ 3.33Å; F205-L207 PolarHBondContact O-N 3.27Å; F205-F220 HydrophobicContact CB-CD2 4.35Å
206A46.8Very low46Very low98 Ų98127.3 Ų127.381%0.8169%0.689SS**PPolyproline II helixtrans-77.1116.8163.300000107.8I208A206-I208 PolarHBondContact O-N 3.28Å
207L48.8Very low45.7Very low104 Ų104130.5 Ų130.555%0.54569%0.686SS.*PPolyproline II helixtrans-72125171.8-161.882.4000108F205 S209 F220F205-L207 PolarHBondContact O-N 3.27Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.39Å; L207-F220 HydrophobicContact CD1-CZ 4.24Å
208I46.4Very low45.8Very low171 Ų171126.3 Ų126.388%0.87766%0.662SS**  trans-80.990.3162.3-59.2172.3000105.5A206A206-I208 PolarHBondContact O-N 3.28Å
209S44.5Very low45.7Very low72 Ų72127.3 Ų127.350%0.50366%0.656SS.*  trans-74.4121.4164.143.70000108.2L207 D211L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.39Å; S209-D211 PolarHBondContact O-N 3.25Å
210D37Very low46.1Very low166 Ų166120.3 Ų120.389%0.88862%0.622SS**SBendtrans-67.6119.5166.6-166.425.5000107.1
211D35.1Very low46.2Very low132 Ų132121.7 Ų121.771%0.70662%0.623SS**SBendtrans76.5146.3178.3-128.7-13.8000117.6S209S209-D211 PolarHBondContact O-N 3.25Å
212T40.8Very low46.4Very low116 Ų116120.5 Ų120.571%0.71261%0.608SS**  trans74.899.6177.944.50000119.3D214T212-D214 PolarHBondContact O-N 3.15Å
213Q37.3Very low46.1Very low181 Ų181125.3 Ų125.385%0.84662%0.616SS**  trans2.2100.7132.9-62.1177.4-3300115.1
214D44Very low45.9Very low142 Ų142129.3 Ų129.376%0.75963%0.634SS**  173.6129.6129.9-84.2-27.6000108.3T212 D216T212-D214 PolarHBondContact O-N 3.15Å; D214-D216 PolarHBondContact O-N 3.21Å
215E43.4Very low45.4Very low178 Ų178128.4 Ų128.483%0.83263%0.631SS**  trans-74.967.5178.4-67.5-162.2169.900110.7
216D45.1Very low44.7Very low127 Ų127128.7 Ų128.768%0.67964%0.643SS**  trans-93.9111.1171.1-77.5-16.7000109.4D214 Q218D214-D216 PolarHBondContact O-N 3.21Å; D216-Q218 PolarHBondContact O-N 3.29Å; D216-Q218 VanDerWaalsContact O-N 3.16Å
217Y48.3Very low44.2Very low195 Ų195132.3 Ų132.377%0.76565%0.648SS**  trans-63.4115171.9-64.7-77.7000109.8
218Q51.2Low43.6Very low71 Ų71140.7 Ų140.733%0.33268%0.68SS.*  trans-95.5132.3177.5-61.3-175.66.500110.6D216 F220D216-Q218 PolarHBondContact O-N 3.29Å; D216-Q218 VanDerWaalsContact O-N 3.16Å; Q218-F220 HydrophobicContact CB-CE2 4.15Å
219Y48.8Very low43.4Very low71 Ų71139.2 Ų139.228%0.27867%0.67SS.*  trans-100.1127.9176.2-61.5-91.9000109.8V183 P189V183-Y219 PolarHBondContact N-O 2.81Å; P189-Y219 HydrophobicContact CG-CD1 3.79Å; P189-Y219 HydrophobicContact CG-CD2 4.48Å; P189-Y219 HydrophobicContact CG-CE1 3.99Å; P189-Y219 HydrophobicContact CG-CG 4.04Å
220F52.7Low43.4Very low50 Ų50142.7 Ų142.722%0.21968%0.679CS.*EExtended strand (participates in β ladder)trans-108.3125.9171.7-67.5-83.4000108.9C180 Q182 F205 L207 Q218C180-F220 HydrophobicContact CB-CD1 4.25Å; Q182-F220 HydrophobicContact CB-CE1 4.16Å; F205-F220 HydrophobicContact CB-CD2 4.35Å; L207-F220 HydrophobicContact CD1-CZ 4.24Å; Q218-F220 HydrophobicContact CB-CE2 4.15Å
221Q50.2Low43.7Very low122 Ų122141.4 Ų141.457%0.5767%0.667SS**EExtended strand (participates in β ladder)trans-105.8119.7176.6-161.9176.712.200109.5
222R53Low44.2Very low105 Ų105141.9 Ų141.940%0.39667%0.665SS.*  trans-96.3122.3177.2-170.2176.9178.4-152.4-0.1109.5M175 L178M175-R222 VanDerWaalsContact CE-CZ 3.44Å; M175-R222 PolarHBondContact SD-NH1 3.34Å; M175-R222 PolarHBondContact SD-NH2 3.3Å; L178-R222 VanDerWaalsContact CD1-CZ 3.45Å
223R44.3Very low44.4Very low199 Ų199143.6 Ų143.675%0.75166%0.662SS**  trans-86.2110.2167.5-73.8-168.7-162.6165.47.4109.2F225R223-F225 HydrophobicContact CB-CD2 4.1Å; R223-F225 HydrophobicContact CB-CE2 4.1Å; R223-F225 HydrophobicContact CG-CE2 4.47Å; R223-F225 PolarHBondContact O-N 2.9Å
224H47.9Very low44.9Very low148 Ų148141.1 Ų141.169%0.68565%0.65SS**  trans-78.298.7159.9-118.8-78.9000107.7
225F37.4Very low45Very low148 Ų148141 Ų14165%0.64964%0.642SS**PPolyproline II helixtrans-82.8120.7161.8-83.3-79000107.6R223 L227R223-F225 HydrophobicContact CB-CD2 4.1Å; R223-F225 HydrophobicContact CB-CE2 4.1Å; R223-F225 HydrophobicContact CG-CE2 4.47Å; R223-F225 PolarHBondContact O-N 2.9Å; F225-L227 PolarHBondContact O-N 2.86Å
226P36.3Very low45.1Very low107 Ų107138.2 Ų138.270%0.69563%0.627SS**PPolyproline II helixtrans-66.8126.1164.828.1-28.6000107.4F228P226-F228 PolarHBondContact O-N 3.37Å
227L35.9Very low45.1Very low174 Ų174139.1 Ų139.191%0.91162%0.623SS**PPolyproline II helixtrans-64.5126.1166.2-74.7161.9000107.4F225F225-L227 PolarHBondContact O-N 2.86Å
228F35Very low44.8Very low279 Ų279134 Ų134100%1.22461%0.61SS**  trans-59.70167.1-80.5-86.2000111.5P226P226-F228 PolarHBondContact O-N 3.37Å

Retrieved 228 of 228 residues in 220 ms (Link to these results)