A0A3B3UVY1_9TELE Loading...

Cyclin-dependent kinase inhibitor 1C

Potent tight-binding inhibitor of several G1 cyclin/CDK complexes (cyclin E-CDK2, cyclin D2-CDK4, and cyclin A-CDK2) and, to lesser extent, of the mitotic cyclin B-CDC2. Negative regulator of cell proliferation. May play a role in maintenance of the non-proliferative state throughout life.

AlphaFold DB , UniProt , Accession A0A3B3UVY1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 217 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
1M46.8Very low66.1Low246 Ų246112.7 Ų112.7100%1.21264%0.638SS**  0150.80-58.4-176.882.500108.3H3M1-H3 PolarHBondContact O-N 3.28Å
2S57.7Low66Low114 Ų114114.7 Ų114.780%0.79764%0.638SS**  trans-84.3111.7-171.535.30000113V4S2-V4 PolarHBondContact O-N 3.47Å
3H59.5Low65.9Low148 Ų148120.4 Ų120.469%0.68564%0.644SS**  trans-77.9102168177.6-68.2000109.9M1 Q5M1-H3 PolarHBondContact O-N 3.28Å; H3-Q5 PolarHBondContact CE1-NE2 3.05Å; H3-Q5 PolarHBondContact O-N 2.9Å
4V71.6Confident65.7Low107 Ų107118.4 Ų118.465%0.64863%0.632SS**  trans-78.8103.8174.2-178.30000109.4S2 L6S2-V4 PolarHBondContact O-N 3.47Å; V4-L6 HydrophobicContact CG1-CD2 4.19Å; V4-L6 PolarHBondContact O-N 3.33Å; V4-L6 VanDerWaalsContact O-N 3.12Å
5Q70.4Confident65.5Low159 Ų159115.8 Ų115.874%0.74362%0.623SS**  trans-62.9106.9167.4-72.7-77.8-11.200109H3H3-Q5 PolarHBondContact CE1-NE2 3.05Å; H3-Q5 PolarHBondContact O-N 2.9Å
6L69.6Low65Low107 Ų107113.1 Ų113.156%0.5662%0.621SS**  trans-81.1131.4169.8-64.6176.8000108.9V4V4-L6 HydrophobicContact CG1-CD2 4.19Å; V4-L6 PolarHBondContact O-N 3.33Å; V4-L6 VanDerWaalsContact O-N 3.12Å
7S75.1Confident64.7Low62 Ų62118.9 Ų118.943%0.43463%0.632SS.*  trans-63.3152.8176.665.60000111.3S9 A10 L11S7-S9 PolarHBondContact O-N 3.38Å; S7-S9 PolarHBondContact OG-OG 2.92Å; S7-A10 WeakPolarHBondContact O-CA 3.16Å; S7-A10 WeakPolarHBondContact O-CB 3.16Å; S7-A10 PolarHBondContact O-N 3Å; S7-A10 WeakPolarHBondContact OG-CB 3.36Å; S7-A10 PolarHBondContact OG-N 2.91Å; S7-A10 VanDerWaalsContact OG-N 3.14Å; S7-L11 PolarHBondContact O-N 2.81Å
8S65.7Low64.2Low102 Ų102124.4 Ų124.471%0.71364%0.642SS**Hα-helixtrans-51.3-42.2172.649.60000111.8A10 L11 E12S8-A10 PolarHBondContact O-N 2.97Å; S8-L11 PolarHBondContact O-N 3.42Å; S8-E12 VanDerWaalsContact O-CB 3.25Å; S8-E12 WeakPolarHBondContact O-CB 3.36Å; S8-E12 PolarHBondContact O-N 3.44Å
9S67.7Low63.6Low62 Ų62122.6 Ų122.643%0.43464%0.637SS.*Hα-helixtrans-65.2-29.4174.956.40000114.7S7 R13S7-S9 PolarHBondContact O-N 3.38Å; S7-S9 PolarHBondContact OG-OG 2.92Å; S9-R13 WeakPolarHBondContact O-CB 3.41Å; S9-R13 VanDerWaalsContact O-CD 3.27Å; S9-R13 WeakPolarHBondContact O-CD 3.37Å; S9-R13 WeakPolarHBondContact O-CG 3.39Å; S9-R13 PolarHBondContact O-N 3.44Å
10A71.4Confident63.1Low33 Ų33124.6 Ų124.627%0.27364%0.641SS.*Hα-helixtrans-77.4-38.4173.600000111.3S7 S8 L14S7-A10 WeakPolarHBondContact O-CA 3.16Å; S7-A10 WeakPolarHBondContact O-CB 3.16Å; S7-A10 PolarHBondContact O-N 3Å; S7-A10 WeakPolarHBondContact OG-CB 3.36Å; S7-A10 PolarHBondContact OG-N 2.91Å; S7-A10 VanDerWaalsContact OG-N 3.14Å; S8-A10 PolarHBondContact O-N 2.97Å; A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 2.84Å; A10-L14 VanDerWaalsContact O-N 3.08Å
11L71.8Confident62.9Low100 Ų100124.3 Ų124.352%0.52465%0.647SS.*Hα-helixtrans-64.3-46.7173.6-177.164.9000111.3S7 S8 R13 L14 V15S7-L11 PolarHBondContact O-N 2.81Å; S8-L11 PolarHBondContact O-N 3.42Å; L11-R13 PolarHBondContact O-N 2.94Å; L11-L14 CarbonylContact O-C 3.56Å; L11-L14 WeakPolarHBondContact O-CA 3.2Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.38Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.2Å
12E65Low63.5Low136 Ų136120.4 Ų120.464%0.63663%0.63SS**Hα-helixtrans-57.9-45.7175.4-177.3-179.6-148.600111.6S8 L14 V15 A16S8-E12 VanDerWaalsContact O-CB 3.25Å; S8-E12 WeakPolarHBondContact O-CB 3.36Å; S8-E12 PolarHBondContact O-N 3.44Å; E12-L14 PolarHBondContact O-N 3.3Å; E12-V15 PolarHBondContact O-N 3.39Å; E12-A16 VanDerWaalsContact O-CB 3.31Å; E12-A16 WeakPolarHBondContact O-CB 3.39Å; E12-A16 PolarHBondContact O-N 3.04Å
13R64.5Low63.7Low189 Ų189122.6 Ų122.671%0.71363%0.628SS**Hα-helixtrans-67.5-17.5174.2-69.5169.485.789.3-1.7113.9S9 L11 R17S9-R13 WeakPolarHBondContact O-CB 3.41Å; S9-R13 VanDerWaalsContact O-CD 3.27Å; S9-R13 WeakPolarHBondContact O-CD 3.37Å; S9-R13 WeakPolarHBondContact O-CG 3.39Å; S9-R13 PolarHBondContact O-N 3.44Å; L11-R13 PolarHBondContact O-N 2.94Å; R13-R17 WeakPolarHBondContact O-CD 3.36Å; R13-R17 WeakPolarHBondContact O-CG 3.43Å
14L63.3Low63.8Low92 Ų92127 Ų12748%0.48264%0.639SS.*Hα-helixtrans-85.6-41.9170.2-79164.3000111.6A10 L11 E12 R17 R18A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 2.84Å; A10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 CarbonylContact O-C 3.56Å; L11-L14 WeakPolarHBondContact O-CA 3.2Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.38Å; E12-L14 PolarHBondContact O-N 3.3Å; L14-R17 PolarHBondContact O-N 3.45Å; L14-R17 VanDerWaalsContact O-N 3.15Å; L14-R18 WeakPolarHBondContact O-CB 3.36Å; L14-R18 PolarHBondContact O-N 3.46Å
15V62.3Low63.6Low80 Ų80131 Ų13149%0.48564%0.642SS.*Hα-helixtrans-62.5-45.1175.3173.10000110.9L11 E12 R17 R18 T19L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.2Å; E12-V15 PolarHBondContact O-N 3.39Å; V15-R17 PolarHBondContact O-N 3.2Å; V15-R17 VanDerWaalsContact O-N 3.08Å; V15-R18 PolarHBondContact O-N 3.12Å; V15-T19 PolarHBondContact O-N 3.02Å
16A58.3Low63.9Low73 Ų73127.7 Ų127.760%0.60363%0.633SS**THydrogen-bonded Turntrans-62.8-14.7175.500000114.1E12E12-A16 VanDerWaalsContact O-CB 3.31Å; E12-A16 WeakPolarHBondContact O-CB 3.39Å; E12-A16 PolarHBondContact O-N 3.04Å
17R58.6Low64.5Low211 Ų211125.8 Ų125.880%0.79664%0.639SS**THydrogen-bonded Turntrans-100.73.1173.4-64.5175.487.2-1657.5113R13 L14 V15R13-R17 WeakPolarHBondContact O-CD 3.36Å; R13-R17 WeakPolarHBondContact O-CG 3.43Å; L14-R17 PolarHBondContact O-N 3.45Å; L14-R17 VanDerWaalsContact O-N 3.15Å; V15-R17 PolarHBondContact O-N 3.2Å; V15-R17 VanDerWaalsContact O-N 3.08Å
18R55.7Low65.2Low218 Ų218128.4 Ų128.482%0.82365%0.652SS**THydrogen-bonded Turntrans-121.6-14.3-171.4-164.4170.6-173147.71.8114.2L14 V15 F20L14-R18 WeakPolarHBondContact O-CB 3.36Å; L14-R18 PolarHBondContact O-N 3.46Å; V15-R18 PolarHBondContact O-N 3.12Å; R18-F20 PolarHBondContact O-N 2.77Å
19T52.6Low66.3Low90 Ų90126.6 Ų126.655%0.55264%0.639SS**SBendtrans-65.2-32.7-17843.40000114V15V15-T19 PolarHBondContact O-N 3.02Å
20F53.9Low67.5Low163 Ų163131.5 Ų131.572%0.71565%0.648SS**SBendtrans-141.7139.4171.8-64.1-78.2000111.1R18 L22R18-F20 PolarHBondContact O-N 2.77Å; F20-L22 PolarHBondContact O-N 3.45Å; F20-L22 VanDerWaalsContact O-N 3.1Å
21P59.4Low68.5Low118 Ų118133.8 Ų133.877%0.76666%0.662SS**  trans-58.6116.1157.7-1730.6000108Q23P21-Q23 PolarHBondContact O-N 2.91Å
22L59.8Low69.6Low164 Ų164134.5 Ų134.586%0.85967%0.665SS**  trans-7168.9162.2-69.6176.7000108.4F20 R24F20-L22 PolarHBondContact O-N 3.45Å; F20-L22 VanDerWaalsContact O-N 3.1Å; L22-R24 PolarHBondContact O-N 3.23Å
23Q62.3Low71Confident161 Ų161137.6 Ų137.675%0.75268%0.677SS**  trans-43.2113.6164.8-175.575.1-44.600105.9P21 R25P21-Q23 PolarHBondContact O-N 2.91Å; Q23-R25 WeakPolarHBondContact O-CG 3.43Å; Q23-R25 PolarHBondContact O-N 2.77Å
24R60.9Low72.5Confident239 Ų239130.3 Ų130.390%0.90266%0.661SS**  trans-66.388.4-167.9-80.2-155.5-78.9-169.3-5.4109.3L22 T26L22-R24 PolarHBondContact O-N 3.23Å; R24-T26 PolarHBondContact O-N 2.95Å; R24-T26 VanDerWaalsContact O-N 3.11Å
25R66.6Low74Confident192 Ų192132.3 Ų132.373%0.72568%0.679SS**  trans-54.2119.3-178.6-62.9-165.9100.3178.83.8106.3Q23 C29Q23-R25 WeakPolarHBondContact O-CG 3.43Å; Q23-R25 PolarHBondContact O-N 2.77Å; R25-C29 HydrophobicContact CB-CB 3.97Å; R25-C29 WeakPolarHBondContact CD-O 3.43Å; R25-C29 HydrophobicContact CG-CB 4.48Å; R25-C29 PolarHBondContact NE-O 2.81Å
26T77.4Confident75.7Confident90 Ų90132.5 Ų132.555%0.55268%0.681SS**  trans-56.7154.1172.165.10000107.9R24 V28 C29R24-T26 PolarHBondContact O-N 2.95Å; R24-T26 VanDerWaalsContact O-N 3.11Å; T26-V28 PolarHBondContact O-N 2.86Å; T26-C29 PolarHBondContact O-N 3.38Å
27G82.6Confident77.5Confident66 Ų66133 Ų13368%0.6867%0.673SS**THydrogen-bonded Turntrans-56.8-13.1-174.900000115R30G27-R30 PolarHBondContact O-NH1 2.9Å
28V90.5Very high79.4Confident118 Ų118129.6 Ų129.672%0.71567%0.666SS**THydrogen-bonded Turntrans-73.8-37.8173.2-172.50000112.5T26 R30T26-V28 PolarHBondContact O-N 2.86Å; V28-R30 VanDerWaalsContact C-N 3.3Å; V28-R30 PolarHBondContact O-N 3.37Å
29C88.6Confident81.4Confident64 Ų64124.6 Ų124.643%0.43266%0.655SS.*  trans-82.664.5-171.3-66.50000113.2R25 T26R25-C29 HydrophobicContact CB-CB 3.97Å; R25-C29 WeakPolarHBondContact CD-O 3.43Å; R25-C29 HydrophobicContact CG-CB 4.48Å; R25-C29 PolarHBondContact NE-O 2.81Å; T26-C29 PolarHBondContact O-N 3.38Å
30R91.6Very high83.6Confident165 Ų165125 Ų12562%0.62365%0.651SS**  trans-122149.8-18062.5-173.9-173.1-100.90111.2G27 V28 L32G27-R30 PolarHBondContact O-NH1 2.9Å; V28-R30 VanDerWaalsContact C-N 3.3Å; V28-R30 PolarHBondContact O-N 3.37Å; R30-L32 HydrophobicContact CG-CD2 4.03Å
31S92.2Very high85.7Confident81 Ų81121.5 Ų121.557%0.56664%0.639SS**  trans-70.4144.5161.3-1800000108.9F33 G34S31-F33 PolarHBondContact OG-N 3.45Å; S31-G34 PolarHBondContact OG-N 3.49Å; S31-G34 VanDerWaalsContact OG-N 3.11Å; S31-G34 PolarHBondContact OG-O 2.72Å
32L95.1Very high87.5Confident114 Ų114117.9 Ų117.960%0.59762%0.617SS**SBendtrans-100.5-25.7178.5-60.3178.6000112.7R30R30-L32 HydrophobicContact CG-CD2 4.03Å
33F95.7Very high89.4Confident202 Ų202116.3 Ų116.389%0.88660%0.599SS**SBendtrans-131.3-0-169-56.1-63.5000114.5S31S31-F33 PolarHBondContact OG-N 3.45Å
34G94.9Very high91.1Very high35 Ų35113.3 Ų113.336%0.36159%0.588SS.*  trans113.4-159.5176.900000114S31S31-G34 PolarHBondContact OG-N 3.49Å; S31-G34 VanDerWaalsContact OG-N 3.11Å; S31-G34 PolarHBondContact OG-O 2.72Å
35P95.6Very high92.9Very high134 Ų134105.5 Ų105.587%0.8757%0.567SS**  trans-67.9167.4163.7-14.931.4000111.8
36V96.8Very high94.4Very high85 Ų85102.9 Ų102.952%0.51556%0.561SS.*  trans-135.8135.4177.9176.60000108.3H38 L41V36-H38 PolarHBondContact O-N 3.15Å; V36-L41 HydrophobicContact CG1-CB 4.33Å; V36-L41 HydrophobicContact CG1-CD2 3.9Å
37D97.4Very high95.4Very high82 Ų82100.7 Ų100.744%0.43955%0.552SS.*  trans-75.1111.1164.4-176-31.6000108.1D39 E40 L41D37-D39 WeakPolarHBondContact OD1-CA 3.3Å; D37-D39 PolarHBondContact OD1-N 3.02Å; D37-E40 HydrophobicContact CB-CB 3.88Å; D37-E40 PolarHBondContact OD1-N 3.19Å; D37-L41 VanDerWaalsContact O-CB 3.29Å; D37-L41 WeakPolarHBondContact O-CB 3.25Å; D37-L41 PolarHBondContact O-N 3.15Å; D37-L41 VanDerWaalsContact O-N 3.08Å
38H97.8Very high96.1Very high141 Ų141103.5 Ų103.565%0.65355%0.545SS*.Hα-helixtrans-76.7-26.4-178.3-75.6-72000112.9V36 S42V36-H38 PolarHBondContact O-N 3.15Å; H38-S42 VanDerWaalsContact O-CB 3.25Å; H38-S42 WeakPolarHBondContact O-CB 3.46Å; H38-S42 PolarHBondContact O-N 3.46Å
39D98.1Very high96.5Very high112 Ų112103.1 Ų103.160%0.59954%0.539SS*.Hα-helixtrans-75-42.7177.6-69.4-34.5000110D37 S42 R43D37-D39 WeakPolarHBondContact OD1-CA 3.3Å; D37-D39 PolarHBondContact OD1-N 3.02Å; D39-S42 PolarHBondContact O-N 3.35Å; D39-S42 PolarHBondContact O-OG 2.91Å; D39-R43 WeakPolarHBondContact O-CG 3.44Å; D39-R43 PolarHBondContact O-N 3.24Å; D39-R43 PolarHBondContact O-NE 3.38Å; D39-R43 VanDerWaalsContact O-NE 3.14Å
40E98.1Very high96.9Very high100 Ų100106.9 Ų106.947%0.46754%0.544SS..Hα-helixtrans-62.1-52.1173.6-173.5173.5-128.900111D37 S42 R43 D44D37-E40 HydrophobicContact CB-CB 3.88Å; D37-E40 PolarHBondContact OD1-N 3.19Å; E40-S42 PolarHBondContact O-N 2.86Å; E40-R43 WeakPolarHBondContact O-CB 3.26Å; E40-R43 PolarHBondContact O-N 2.83Å; E40-D44 PolarHBondContact O-N 2.83Å
41L97.8Very high97.2Very high88 Ų88102.4 Ų102.446%0.46153%0.53SS..Hα-helixtrans-58.1-37.2175.9-17961.3000112.2V36 D37 V45V36-L41 HydrophobicContact CG1-CB 4.33Å; V36-L41 HydrophobicContact CG1-CD2 3.9Å; D37-L41 VanDerWaalsContact O-CB 3.29Å; D37-L41 WeakPolarHBondContact O-CB 3.25Å; D37-L41 PolarHBondContact O-N 3.15Å; D37-L41 VanDerWaalsContact O-N 3.08Å; L41-V45 HydrophobicContact CD1-CG2 4.02Å; L41-V45 HydrophobicContact CG-CG2 4.46Å; L41-V45 WeakPolarHBondContact O-CB 3.16Å; L41-V45 VanDerWaalsContact O-CG2 3.25Å; L41-V45 WeakPolarHBondContact O-CG2 3.36Å; L41-V45 PolarHBondContact O-N 2.81Å
42S98.3Very high97.4Very high42 Ų42102.5 Ų102.529%0.29452%0.524SS..Hα-helixtrans-68.8-35.7176.586.90000112.8H38 D39 E40 K46H38-S42 VanDerWaalsContact O-CB 3.25Å; H38-S42 WeakPolarHBondContact O-CB 3.46Å; H38-S42 PolarHBondContact O-N 3.46Å; D39-S42 PolarHBondContact O-N 3.35Å; D39-S42 PolarHBondContact O-OG 2.91Å; E40-S42 PolarHBondContact O-N 2.86Å; S42-K46 WeakPolarHBondContact O-CB 3.24Å; S42-K46 VanDerWaalsContact O-CD 3.3Å; S42-K46 WeakPolarHBondContact O-CD 3.42Å; S42-K46 WeakPolarHBondContact O-CG 3.48Å; S42-K46 PolarHBondContact O-N 3.29Å; S42-K46 VanDerWaalsContact O-N 3.13Å
43R98.6Very high97.5Very high132 Ų13298.5 Ų98.550%0.49851%0.505SS..Hα-helixtrans-67.4-47.4176.4-77.8175.4-89.9120.4-9.3110.5D39 E40 K46 A47D39-R43 WeakPolarHBondContact O-CG 3.44Å; D39-R43 PolarHBondContact O-N 3.24Å; D39-R43 PolarHBondContact O-NE 3.38Å; D39-R43 VanDerWaalsContact O-NE 3.14Å; E40-R43 WeakPolarHBondContact O-CB 3.26Å; E40-R43 PolarHBondContact O-N 2.83Å; R43-K46 PolarHBondContact O-N 2.81Å; R43-A47 WeakPolarHBondContact O-CB 3.4Å; R43-A47 PolarHBondContact O-N 3.13Å
44D98.4Very high97.5Very high97 Ų9792.4 Ų92.452%0.51948%0.479SS..Hα-helixtrans-64.1-45179.7-80.911.4000112.5E40 A47 K48E40-D44 PolarHBondContact O-N 2.83Å; D44-A47 PolarHBondContact O-N 3.36Å; D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 WeakPolarHBondContact O-CG 3.1Å; D44-K48 PolarHBondContact O-N 3.49Å
45V98.3Very high97.6Very high76 Ų7696.4 Ų96.446%0.46148%0.483SS..Hα-helixtrans-62.9-43.9176.8169.70000111L41 K48 L49L41-V45 HydrophobicContact CD1-CG2 4.02Å; L41-V45 HydrophobicContact CG-CG2 4.46Å; L41-V45 WeakPolarHBondContact O-CB 3.16Å; L41-V45 VanDerWaalsContact O-CG2 3.25Å; L41-V45 WeakPolarHBondContact O-CG2 3.36Å; L41-V45 PolarHBondContact O-N 2.81Å; V45-K48 PolarHBondContact O-N 3.28Å; V45-L49 HydrophobicContact CG1-CD1 3.95Å; V45-L49 HydrophobicContact CG1-CG 4.45Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 3.39Å
46K98.3Very high97.7Very high137 Ų13792.7 Ų92.760%0.59646%0.456SS*.Hα-helixtrans-62.8-44.4175.5-73.7167.3-173.7168.60111.9S42 R43 K48 L49 R50S42-K46 WeakPolarHBondContact O-CB 3.24Å; S42-K46 VanDerWaalsContact O-CD 3.3Å; S42-K46 WeakPolarHBondContact O-CD 3.42Å; S42-K46 WeakPolarHBondContact O-CG 3.48Å; S42-K46 PolarHBondContact O-N 3.29Å; S42-K46 VanDerWaalsContact O-N 3.13Å; R43-K46 PolarHBondContact O-N 2.81Å; K46-K48 VanDerWaalsContact C-N 3.34Å; K46-K48 PolarHBondContact O-N 3.22Å; K46-L49 PolarHBondContact O-N 2.89Å; K46-R50 WeakPolarHBondContact O-CB 3.45Å; K46-R50 PolarHBondContact O-N 3.43Å
47A98.3Very high97.6Very high44 Ų4491.5 Ų91.536%0.36445%0.445SS..Hα-helixtrans-60.7-42.9177.600000111.5R43 D44 R50 E51R43-A47 WeakPolarHBondContact O-CB 3.4Å; R43-A47 PolarHBondContact O-N 3.13Å; D44-A47 PolarHBondContact O-N 3.36Å; A47-R50 PolarHBondContact O-N 2.92Å; A47-E51 WeakPolarHBondContact O-CB 3.39Å; A47-E51 PolarHBondContact O-N 3.39Å
48K98.3Very high97.6Very high124 Ų12494.9 Ų94.954%0.53946%0.458SS..Hα-helixtrans-71.3-35.5178.3-71.6-71.3162.9-163.60113.7D44 V45 K46 E51 I52D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 WeakPolarHBondContact O-CG 3.1Å; D44-K48 PolarHBondContact O-N 3.49Å; V45-K48 PolarHBondContact O-N 3.28Å; K46-K48 VanDerWaalsContact C-N 3.34Å; K46-K48 PolarHBondContact O-N 3.22Å; K48-E51 IonicContact NZ-OE2 3.75Å; K48-E51 PolarHBondContact NZ-OE2 2.97Å; K48-I52 WeakPolarHBondContact O-CD1 3.41Å; K48-I52 VanDerWaalsContact O-CG1 3.28Å; K48-I52 WeakPolarHBondContact O-CG1 3.44Å; K48-I52 PolarHBondContact O-N 3.46Å
49L97.3Very high97.5Very high110 Ų11094.9 Ų94.958%0.57645%0.452SS*.Hα-helixtrans-65.4-43172.6-72171.6000111.4V45 K46 I52 S53V45-L49 HydrophobicContact CG1-CD1 3.95Å; V45-L49 HydrophobicContact CG1-CG 4.45Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 3.39Å; K46-L49 PolarHBondContact O-N 2.89Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 3.31Å; L49-I52 VanDerWaalsContact O-N 3.14Å; L49-S53 PolarHBondContact O-N 3.47Å
50R97.4Very high97.5Very high144 Ų14493.7 Ų93.754%0.54344%0.44SS..Hα-helixtrans-66.9-40.3177-156.9-172.371.7-132.4-7.3112.5K46 A47 I52 S53 E54K46-R50 WeakPolarHBondContact O-CB 3.45Å; K46-R50 PolarHBondContact O-N 3.43Å; A47-R50 PolarHBondContact O-N 2.92Å; R50-I52 PolarHBondContact O-N 3.2Å; R50-S53 PolarHBondContact O-N 3.21Å; R50-S53 PolarHBondContact O-OG 3.47Å; R50-E54 WeakPolarHBondContact CD-OE1 3.42Å; R50-E54 HydrophobicContact CG-CG 4.26Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 IonicContact CZ-OE1 3.59Å; R50-E54 IonicContact NE-OE1 2.64Å; R50-E54 PolarHBondContact NE-OE1 3.23Å; R50-E54 IonicContact NH2-OE1 3.62Å; R50-E54 WeakPolarHBondContact O-CB 3.23Å; R50-E54 VanDerWaalsContact O-CG 3.26Å; R50-E54 WeakPolarHBondContact O-CG 3.34Å; R50-E54 PolarHBondContact O-N 2.86Å
51E97.9Very high97.4Very high70 Ų7089.6 Ų89.633%0.32742%0.421SS..Hα-helixtrans-60.2-26.4172.8-165.7-153.9118.600112.2A47 K48 R55A47-E51 WeakPolarHBondContact O-CB 3.39Å; A47-E51 PolarHBondContact O-N 3.39Å; K48-E51 IonicContact NZ-OE2 3.75Å; K48-E51 PolarHBondContact NZ-OE2 2.97Å; E51-R55 WeakPolarHBondContact O-CB 3.25Å; E51-R55 PolarHBondContact O-NH1 2.84Å; E51-R55 IonicContact OE1-CZ 3.88Å; E51-R55 IonicContact OE1-NH1 2.7Å; E51-R55 IonicContact OE1-NH2 2.74Å; E51-R55 PolarHBondContact OE1-NH2 3.04Å
52I97.4Very high97.4Very high84 Ų8487 Ų8743%0.43141%0.406SS..Hα-helixtrans-79.7-50.2172.7-67.3163.7000110.5K48 L49 R50 E54 R55 D56K48-I52 WeakPolarHBondContact O-CD1 3.41Å; K48-I52 VanDerWaalsContact O-CG1 3.28Å; K48-I52 WeakPolarHBondContact O-CG1 3.44Å; K48-I52 PolarHBondContact O-N 3.46Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 3.31Å; L49-I52 VanDerWaalsContact O-N 3.14Å; R50-I52 PolarHBondContact O-N 3.2Å; I52-E54 PolarHBondContact O-N 3.44Å; I52-R55 PolarHBondContact O-N 3.12Å; I52-D56 PolarHBondContact O-N 3.27Å
53S96.4Very high97.3Very high29 Ų2986 Ų8620%0.20340%0.397CS..Hα-helixtrans-63.2-41.7-178.763.30000112.8L49 R50 R55 D56 Q57 E65L49-S53 PolarHBondContact O-N 3.47Å; R50-S53 PolarHBondContact O-N 3.21Å; R50-S53 PolarHBondContact O-OG 3.47Å; S53-R55 PolarHBondContact O-N 3.25Å; S53-D56 PolarHBondContact O-N 3.08Å; S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 PolarHBondContact O-N 2.89Å; S53-E65 PolarHBondContact OG-OE1 3.01Å
54E96.6Very high97.1Very high75 Ų7584.2 Ų84.235%0.3539%0.393SS..Hα-helixtrans-56.8-45.9173.4-73.1168.3-168.200111.8R50 I52 Q58R50-E54 WeakPolarHBondContact CD-OE1 3.42Å; R50-E54 HydrophobicContact CG-CG 4.26Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 IonicContact CZ-OE1 3.59Å; R50-E54 IonicContact NE-OE1 2.64Å; R50-E54 PolarHBondContact NE-OE1 3.23Å; R50-E54 IonicContact NH2-OE1 3.62Å; R50-E54 WeakPolarHBondContact O-CB 3.23Å; R50-E54 VanDerWaalsContact O-CG 3.26Å; R50-E54 WeakPolarHBondContact O-CG 3.34Å; R50-E54 PolarHBondContact O-N 2.86Å; I52-E54 PolarHBondContact O-N 3.44Å; E54-Q58 WeakPolarHBondContact O-CB 3.33Å; E54-Q58 VanDerWaalsContact O-CG 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.46Å; E54-Q58 PolarHBondContact O-N 2.89Å
55R97.3Very high96.8Very high118 Ų11886.2 Ų86.245%0.44540%0.4SS..Hα-helixtrans-67.6-46.1-179.1-178.2-170.3-63.794.62.1111.9E51 I52 S53 Q58 R59E51-R55 WeakPolarHBondContact O-CB 3.25Å; E51-R55 PolarHBondContact O-NH1 2.84Å; E51-R55 IonicContact OE1-CZ 3.88Å; E51-R55 IonicContact OE1-NH1 2.7Å; E51-R55 IonicContact OE1-NH2 2.74Å; E51-R55 PolarHBondContact OE1-NH2 3.04Å; I52-R55 PolarHBondContact O-N 3.12Å; S53-R55 PolarHBondContact O-N 3.25Å; R55-Q58 PolarHBondContact O-N 2.84Å; R55-R59 VanDerWaalsContact O-CB 3.23Å; R55-R59 WeakPolarHBondContact O-CB 3.46Å; R55-R59 PolarHBondContact O-N 3.44Å
56D96.8Very high96.5Very high57 Ų5788.3 Ų88.331%0.30541%0.408SS..Hα-helixtrans-71.3-36.1-179-75.1-30.7000111I52 S53 R59 W60 F64I52-D56 PolarHBondContact O-N 3.27Å; S53-D56 PolarHBondContact O-N 3.08Å; D56-R59 PolarHBondContact O-N 2.95Å; D56-W60 WeakPolarHBondContact O-CB 3.37Å; D56-W60 PolarHBondContact O-N 3.43Å; D56-F64 HydrophobicContact CB-CE2 4.02Å
57Q95.8Very high96.3Very high59 Ų5987.5 Ų87.528%0.27641%0.41SS..Hα-helixtrans-59.3-46.8171.8177.4-179.267.900111.7S53 N61 F62 L70S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 PolarHBondContact O-N 2.89Å; Q57-N61 WeakPolarHBondContact O-CA 3.48Å; Q57-N61 PolarHBondContact O-N 2.94Å; Q57-F62 WeakPolarHBondContact CA-O 3.31Å; Q57-F62 WeakPolarHBondContact CG-O 3.42Å; Q57-F62 PolarHBondContact O-N 3.14Å; Q57-L70 HydrophobicContact CG-CD1 3.63Å
58Q95.8Very high96.1Very high154 Ų15488.4 Ų88.472%0.7241%0.411SS*.Hα-helixtrans-63.8-39.9174.8-72.3168.521.200112.3E54 R55E54-Q58 WeakPolarHBondContact O-CB 3.33Å; E54-Q58 VanDerWaalsContact O-CG 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.46Å; E54-Q58 PolarHBondContact O-N 2.89Å; R55-Q58 PolarHBondContact O-N 2.84Å
59R97.3Very high96Very high140 Ų14086 Ų8653%0.52841%0.408SS..Hα-helixtrans-73.6-24.4-176.4-173.3179171.4-69.5-12.5113.8R55 D56R55-R59 VanDerWaalsContact O-CB 3.23Å; R55-R59 WeakPolarHBondContact O-CB 3.46Å; R55-R59 PolarHBondContact O-N 3.44Å; D56-R59 PolarHBondContact O-N 2.95Å
60W97.5Very high95.9Very high88 Ų8884.1 Ų84.133%0.33340%0.399SS..Hα-helixtrans-117.2-4-175.8-67.4119.3000114.1D56 F62 F64 Y74 W76D56-W60 WeakPolarHBondContact O-CB 3.37Å; D56-W60 PolarHBondContact O-N 3.43Å; W60-F62 HydrophobicContact CB-CB 4.32Å; W60-F62 PolarHBondContact O-N 3.25Å; W60-F64 HydrophobicContact CB-CE2 4.43Å; W60-F64 HydrophobicContact CB-CZ 4.22Å; W60-F64 AromaticContact CD1-CZ 3.79Å; W60-F64 HydrophobicContact CG-CZ 4.23Å; W60-Y74 HydrophobicContact CE3-CD2 4.27Å; W60-Y74 AromaticContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CZ3-CE2 4.33Å; W60-W76 HydrophobicContact CB-CZ2 4.19Å; W60-W76 PolarHBondContact O-NE1 3.23Å
61N96.6Very high95.7Very high14 Ų1486.9 Ų86.98%0.07542%0.418CS..THydrogen-bonded Turntrans41.647.7-166.463.6-91.4000112.9Q57 L70 D73 Y74Q57-N61 WeakPolarHBondContact O-CA 3.48Å; Q57-N61 PolarHBondContact O-N 2.94Å; N61-L70 HydrophobicContact CB-CB 4.35Å; N61-L70 PolarHBondContact ND2-O 2.97Å; N61-L70 WeakPolarHBondContact O-CA 3.47Å; N61-L70 WeakPolarHBondContact O-CB 3.43Å; N61-L70 PolarHBondContact O-N 2.85Å; N61-D73 PolarHBondContact OD1-N 2.98Å; N61-D73 VanDerWaalsContact OD1-N 3.13Å; N61-Y74 PolarHBondContact ND2-O 3.22Å; N61-Y74 WeakPolarHBondContact OD1-CB 3.28Å; N61-Y74 WeakPolarHBondContact OD1-CD2 3.43Å; N61-Y74 PolarHBondContact OD1-N 2.96Å
62F97.1Very high95.5Very high32 Ų3286.2 Ų86.214%0.1443%0.43CS..EExtended strand (participates in β ladder)trans-136.6130.2-179.6-168.7-87.6000110.9Q57 W60 F64 P69 W76Q57-F62 WeakPolarHBondContact CA-O 3.31Å; Q57-F62 WeakPolarHBondContact CG-O 3.42Å; Q57-F62 PolarHBondContact O-N 3.14Å; W60-F62 HydrophobicContact CB-CB 4.32Å; W60-F62 PolarHBondContact O-N 3.25Å; F62-F64 HydrophobicContact CB-CE2 4.38Å; F62-F64 HydrophobicContact CB-CZ 4.24Å; F62-F64 AromaticContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD2 4.42Å; F62-F64 AromaticContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE2 4.43Å; F62-F64 HydrophobicContact CD1-CG 4.08Å; F62-F64 HydrophobicContact CD1-CZ 4.12Å; F62-F64 HydrophobicContact CE1-CD1 4.16Å; F62-F64 HydrophobicContact CE1-CE1 4.44Å; F62-F64 WeakPolarHBondContact O-CD2 3.25Å; F62-F64 WeakPolarHBondContact O-CE2 3.39Å; F62-F64 PolarHBondContact O-N 2.94Å; F62-P69 HydrophobicContact CD2-CB 4.05Å; F62-P69 HydrophobicContact CE2-CB 4.26Å; F62-W76 HydrophobicContact CB-CZ2 4.11Å; F62-W76 AromaticContact CD2-CD2 3.85Å; F62-W76 HydrophobicContact CD2-CD2 3.85Å; F62-W76 AromaticContact CD2-CE2 3.97Å; F62-W76 HydrophobicContact CD2-CE3 4.26Å; F62-W76 HydrophobicContact CD2-CG 4.05Å
63N95.1Very high95.4Very high21 Ų2190.1 Ų90.111%0.11245%0.451CS..EExtended strand (participates in β ladder)trans-87.3100.8176.5-177.6-9.4000110E65 D66 N67 T68 L70N63-E65 PolarHBondContact O-N 3.15Å; N63-E65 PolarHBondContact OD1-N 3.34Å; N63-D66 PolarHBondContact ND2-OD2 2.66Å; N63-D66 PolarHBondContact OD1-N 3.25Å; N63-D66 VanDerWaalsContact OD1-N 3.15Å; N63-N67 WeakPolarHBondContact O-CA 3.41Å; N63-N67 PolarHBondContact O-N 3.14Å; N63-T68 WeakPolarHBondContact CB-O 3.29Å; N63-T68 PolarHBondContact N-O 2.81Å; N63-T68 PolarHBondContact O-N 3.43Å; N63-L70 HydrophobicContact CB-CD1 4.4Å; N63-L70 HydrophobicContact CB-CD2 4.25Å; N63-L70 HydrophobicContact CB-CG 4.29Å
64F94.4Very high95.3Very high95 Ų9593.8 Ų93.842%0.41746%0.461SS..THydrogen-bonded Turntrans-71.1-14.4179.6-62.1-79.5000114.4D56 W60 F62 N67D56-F64 HydrophobicContact CB-CE2 4.02Å; W60-F64 HydrophobicContact CB-CE2 4.43Å; W60-F64 HydrophobicContact CB-CZ 4.22Å; W60-F64 AromaticContact CD1-CZ 3.79Å; W60-F64 HydrophobicContact CG-CZ 4.23Å; F62-F64 HydrophobicContact CB-CE2 4.38Å; F62-F64 HydrophobicContact CB-CZ 4.24Å; F62-F64 AromaticContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD2 4.42Å; F62-F64 AromaticContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE2 4.43Å; F62-F64 HydrophobicContact CD1-CG 4.08Å; F62-F64 HydrophobicContact CD1-CZ 4.12Å; F62-F64 HydrophobicContact CE1-CD1 4.16Å; F62-F64 HydrophobicContact CE1-CE1 4.44Å; F62-F64 WeakPolarHBondContact O-CD2 3.25Å; F62-F64 WeakPolarHBondContact O-CE2 3.39Å; F62-F64 PolarHBondContact O-N 2.94Å; F64-N67 PolarHBondContact O-ND2 3.29Å
65E92.7Very high95.3Very high140 Ų14099.9 Ų99.965%0.65449%0.49SS*.THydrogen-bonded Turntrans-84.7-54.3178.5-60.9-174.3-165.600109.8S53 N63 N67S53-E65 PolarHBondContact OG-OE1 3.01Å; N63-E65 PolarHBondContact O-N 3.15Å; N63-E65 PolarHBondContact OD1-N 3.34Å; E65-N67 VanDerWaalsContact C-N 3.3Å; E65-N67 PolarHBondContact O-N 3.1Å; E65-N67 PolarHBondContact O-ND2 2.76Å; E65-N67 VanDerWaalsContact O-ND2 3.15Å
66D93Very high95.3Very high120 Ų12099.8 Ų99.864%0.64249%0.49SS*.THydrogen-bonded Turntrans-80.6-8.9176.3-63.8-60.1000113.9N63 T68N63-D66 PolarHBondContact ND2-OD2 2.66Å; N63-D66 PolarHBondContact OD1-N 3.25Å; N63-D66 VanDerWaalsContact OD1-N 3.15Å; D66-T68 VanDerWaalsContact C-N 3.29Å; D66-T68 HydrophobicContact CB-CG2 4.37Å; D66-T68 PolarHBondContact O-N 3.11Å
67N93Very high95.1Very high119 Ų119104.4 Ų104.464%0.63651%0.51SS*.THydrogen-bonded Turntrans59.136.2-175.4-69.2-106000113.3N63 F64 E65N63-N67 WeakPolarHBondContact O-CA 3.41Å; N63-N67 PolarHBondContact O-N 3.14Å; F64-N67 PolarHBondContact O-ND2 3.29Å; E65-N67 VanDerWaalsContact C-N 3.3Å; E65-N67 PolarHBondContact O-N 3.1Å; E65-N67 PolarHBondContact O-ND2 2.76Å; E65-N67 VanDerWaalsContact O-ND2 3.15Å
68T94.8Very high94.9Very high63 Ų63110.6 Ų110.639%0.38754%0.539SS..EExtended strand (participates in β ladder)trans-115.9142.1-178.749.10000112N63 D66N63-T68 WeakPolarHBondContact CB-O 3.29Å; N63-T68 PolarHBondContact N-O 2.81Å; N63-T68 PolarHBondContact O-N 3.43Å; D66-T68 VanDerWaalsContact C-N 3.29Å; D66-T68 HydrophobicContact CB-CG2 4.37Å; D66-T68 PolarHBondContact O-N 3.11Å
69P96.3Very high94.7Very high73 Ų73107.3 Ų107.347%0.47452%0.524SS..EExtended strand (participates in β ladder)trans-73.2150.5171.233.1-35.3000111.2F62 W76F62-P69 HydrophobicContact CD2-CB 4.05Å; F62-P69 HydrophobicContact CE2-CB 4.26Å; P69-W76 HydrophobicContact CB-CB 3.6Å; P69-W76 HydrophobicContact CB-CG 3.91Å; P69-W76 HydrophobicContact CG-CB 4.33Å
70L94.5Very high94.4Very high72 Ų72103.5 Ų103.538%0.37752%0.518SS..  trans-112.6159.8173-53.8175.5000109.3Q57 N61 N63Q57-L70 HydrophobicContact CG-CD1 3.63Å; N61-L70 HydrophobicContact CB-CB 4.35Å; N61-L70 PolarHBondContact ND2-O 2.97Å; N61-L70 WeakPolarHBondContact O-CA 3.47Å; N61-L70 WeakPolarHBondContact O-CB 3.43Å; N61-L70 PolarHBondContact O-N 2.85Å; N63-L70 HydrophobicContact CB-CD1 4.4Å; N63-L70 HydrophobicContact CB-CD2 4.25Å; N63-L70 HydrophobicContact CB-CG 4.29Å
71E93.6Very high94Very high202 Ų202103.5 Ų103.594%0.94453%0.527SS*.SBendtrans-66.4136.3171.7-62.8178.5-176.700110.5
72G93.4Very high93.6Very high56 Ų56109.8 Ų109.858%0.57756%0.556SS**SBendtrans167.3-157.6-177.300000113.2Y74G72-Y74 VanDerWaalsContact C-N 3.3Å; G72-Y74 PolarHBondContact O-N 3.03Å
73D95.1Very high93.3Very high165 Ų165117 Ų11788%0.88258%0.582SS**SBendtrans-71.1-19.3-173.8-67.3-29.4000114.3N61N61-D73 PolarHBondContact OD1-N 2.98Å; N61-D73 VanDerWaalsContact OD1-N 3.13Å
74Y95.6Very high93.1Very high106 Ų106117.5 Ų117.542%0.41659%0.586SS.*  trans-109.9119.7179.9-64.9-74000112.2W60 N61 G72 W76W60-Y74 HydrophobicContact CE3-CD2 4.27Å; W60-Y74 AromaticContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CZ3-CE2 4.33Å; N61-Y74 PolarHBondContact ND2-O 3.22Å; N61-Y74 WeakPolarHBondContact OD1-CB 3.28Å; N61-Y74 WeakPolarHBondContact OD1-CD2 3.43Å; N61-Y74 PolarHBondContact OD1-N 2.96Å; G72-Y74 VanDerWaalsContact C-N 3.3Å; G72-Y74 PolarHBondContact O-N 3.03Å; Y74-W76 VanDerWaalsContact O-CD1 3.28Å
75E96.1Very high92.8Very high203 Ų203115.8 Ų115.895%0.94959%0.589SS**  trans-78.5122.2165.6-66.7179.2175.200109.6
76W96.1Very high92.5Very high117 Ų117111.9 Ų111.944%0.44358%0.581SS.*  trans-108.6124-177.8-69.796.1000111.1W60 F62 P69 Y74W60-W76 HydrophobicContact CB-CZ2 4.19Å; W60-W76 PolarHBondContact O-NE1 3.23Å; F62-W76 HydrophobicContact CB-CZ2 4.11Å; F62-W76 AromaticContact CD2-CD2 3.85Å; F62-W76 HydrophobicContact CD2-CD2 3.85Å; F62-W76 AromaticContact CD2-CE2 3.97Å; F62-W76 HydrophobicContact CD2-CE3 4.26Å; F62-W76 HydrophobicContact CD2-CG 4.05Å; P69-W76 HydrophobicContact CB-CB 3.6Å; P69-W76 HydrophobicContact CB-CG 3.91Å; P69-W76 HydrophobicContact CG-CB 4.33Å; Y74-W76 VanDerWaalsContact O-CD1 3.28Å
77E94Very high92.3Very high154 Ų154114 Ų11472%0.7259%0.585SS**  trans-113.5133.2175.9-174.3-177.5-177.300110.7M79E77-M79 PolarHBondContact O-N 2.91Å
78E91.8Very high92.1Very high189 Ų189116.8 Ų116.888%0.88359%0.588SS**  trans-76.8118.1171.5-169.7-171.5163.500110.3
79M91.1Very high91.8Very high84 Ų84118.2 Ų118.241%0.41459%0.586SS.*  trans-107.9117.1-174.4-84.5-71-83.800112.8E77 R83 T84E77-M79 PolarHBondContact O-N 2.91Å; M79-R83 HydrophobicContact CE-CB 3.85Å; M79-T84 PolarHBondContact O-OG1 2.84Å; M79-T84 VanDerWaalsContact O-OG1 3.04Å
80P90.9Very high90.9Very high61 Ų61120.3 Ų120.340%0.39659%0.59SS.*  trans-50.3141.1179.3-30.535.3000113.6E82 R83 T84P80-E82 PolarHBondContact O-N 2.7Å; P80-R83 PolarHBondContact O-N 3.35Å; P80-T84 PolarHBondContact O-N 3.37Å; P80-T84 PolarHBondContact O-OG1 2.87Å
81V87.8Confident90Very high87 Ų87118.3 Ų118.353%0.52758%0.582SS.*THydrogen-bonded Turntrans-53.4-35.9-173.1-1780000111.6R83 T84 R89V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.13Å; V81-T84 PolarHBondContact O-N 3.46Å; V81-R89 HydrophobicContact CG1-CG 4.05Å; V81-R89 PolarHBondContact O-NE 2.9Å; V81-R89 PolarHBondContact O-NH2 3.34Å
82E89.8Confident88.7Confident146 Ų146112.2 Ų112.268%0.68256%0.558SS**THydrogen-bonded Turntrans-62.6-38.1179.4-63.762.6-13300112.4P80 R89P80-E82 PolarHBondContact O-N 2.7Å; E82-R89 PolarHBondContact O-NH2 2.94Å
83R90.1Very high87.2Confident183 Ų183116.9 Ų116.969%0.69157%0.565SS**THydrogen-bonded Turntrans-82.5-37178.5-62.5-177.1178.2178.5-0.2111.6M79 P80 V81 A85M79-R83 HydrophobicContact CE-CB 3.85Å; P80-R83 PolarHBondContact O-N 3.35Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.13Å; R83-A85 PolarHBondContact O-N 3.08Å
84T90.3Very high85.1Confident33 Ų33113.1 Ų113.120%0.20255%0.552CS.*SBendtrans-60.8131.2179.3-70.10000111.2M79 P80 V81 R89M79-T84 PolarHBondContact O-OG1 2.84Å; M79-T84 VanDerWaalsContact O-OG1 3.04Å; P80-T84 PolarHBondContact O-N 3.37Å; P80-T84 PolarHBondContact O-OG1 2.87Å; V81-T84 PolarHBondContact O-N 3.46Å; T84-R89 HydrophobicContact CG2-CG 4.34Å; T84-R89 VanDerWaalsContact O-CZ 3.25Å; T84-R89 PolarHBondContact O-NE 3.45Å; T84-R89 PolarHBondContact O-NH2 3.19Å
85A89.8Confident83.8Confident58 Ų58110.9 Ų110.948%0.47956%0.561SS.*  trans-61.9142.6-17700000111.8R83 F87 Y88 R89R83-A85 PolarHBondContact O-N 3.08Å; A85-F87 PolarHBondContact O-N 2.91Å; A85-Y88 HydrophobicContact CB-CD2 4.28Å; A85-Y88 PolarHBondContact O-N 3.14Å; A85-R89 PolarHBondContact O-N 3Å
86A86.6Confident81.9Confident59 Ų59113.7 Ų113.749%0.48856%0.563SS.*THydrogen-bonded Turntrans-62.5-4.7-173.700000115.5R98A86-R98 VanDerWaalsContact O-CZ 3.28Å; A86-R98 PolarHBondContact O-NH1 3.28Å; A86-R98 PolarHBondContact O-NH2 2.85Å
87F87.4Confident79.9Confident164 Ų164112.6 Ų112.672%0.71957%0.569SS**THydrogen-bonded Turntrans-75-46.5167.9178-100.7000112.1A85A85-F87 PolarHBondContact O-N 2.91Å
88Y89.1Confident78.1Confident178 Ų178111.3 Ų111.370%0.69856%0.557SS**THydrogen-bonded Turntrans-81.7-13.9-176.8-60.4-70.1000113.9A85 E90A85-Y88 HydrophobicContact CB-CD2 4.28Å; A85-Y88 PolarHBondContact O-N 3.14Å; Y88-E90 PolarHBondContact O-N 2.85Å
89R88.1Confident76.7Confident93 Ų93105.3 Ų105.335%0.35153%0.534SS..SBendtrans-64.2122.7171-59.2-177.1-162.6-163.6-1.5109.3V81 E82 T84 A85 S91 R98V81-R89 HydrophobicContact CG1-CG 4.05Å; V81-R89 PolarHBondContact O-NE 2.9Å; V81-R89 PolarHBondContact O-NH2 3.34Å; E82-R89 PolarHBondContact O-NH2 2.94Å; T84-R89 HydrophobicContact CG2-CG 4.34Å; T84-R89 VanDerWaalsContact O-CZ 3.25Å; T84-R89 PolarHBondContact O-NE 3.45Å; T84-R89 PolarHBondContact O-NH2 3.19Å; A85-R89 PolarHBondContact O-N 3Å; R89-S91 PolarHBondContact O-N 3.36Å; R89-R98 PolarHBondContact O-NH2 2.81Å
90E77.1Confident75.2Confident116 Ų116105.5 Ų105.554%0.54254%0.541SS..  trans-55.8135.9179.5-161.7-158.1165.100110.5Y88 A101Y88-E90 PolarHBondContact O-N 2.85Å; E90-A101 HydrophobicContact CB-CB 3.96Å; E90-A101 HydrophobicContact CG-CB 3.7Å; E90-A101 PolarHBondContact O-N 3.22Å; E90-A101 WeakPolarHBondContact OE2-CB 3.27Å
91S75.7Confident73.7Confident31 Ų31103.8 Ų103.822%0.21753%0.532CS..EExtended strand (participates in β ladder)trans-153.8113.2-177.564.50000111.9R89 Q93 R98 V99R89-S91 PolarHBondContact O-N 3.36Å; S91-Q93 PolarHBondContact O-N 2.91Å; S91-R98 VanDerWaalsContact OG-CZ 3.32Å; S91-R98 PolarHBondContact OG-NE 3.08Å; S91-R98 PolarHBondContact OG-NH2 3.02Å; S91-V99 CarbonylContact C-O 3.46Å; S91-V99 WeakPolarHBondContact CA-O 3.21Å; S91-V99 WeakPolarHBondContact CB-O 3.21Å
92V66.4Low71.9Confident74 Ų74104.8 Ų104.845%0.44854%0.539SS..EExtended strand (participates in β ladder)trans-75.8123.9171.6-76.50000109.9S94 V99V92-S94 PolarHBondContact O-N 3.39Å; V92-V99 PolarHBondContact N-O 2.94Å; V92-V99 VanDerWaalsContact N-O 3.12Å; V92-V99 PolarHBondContact O-N 2.76Å
93Q61.9Low69.9Low154 Ų154103 Ų10372%0.7254%0.54SS*.EExtended strand (participates in β ladder)trans-86.183.2174.1-70.2-176.355.800109.6S91 G95S91-Q93 PolarHBondContact O-N 2.91Å; Q93-G95 PolarHBondContact O-N 3.19Å
94S52.3Low67.8Low86 Ų8699.6 Ų99.660%0.60154%0.539SS*.EExtended strand (participates in β ladder)trans-7575.8172.3-63.80000109.8V92 T97V92-S94 PolarHBondContact O-N 3.39Å; S94-T97 PolarHBondContact N-O 2.92Å
95G66.9Low65.6Low59 Ų59107.8 Ų107.861%0.60857%0.572SS**THydrogen-bonded Turntrans76.4-132.4-173.900000112.3Q93 T97Q93-G95 PolarHBondContact O-N 3.19Å; G95-T97 VanDerWaalsContact C-N 3.26Å; G95-T97 PolarHBondContact O-N 2.76Å
96R55.8Low63.2Low262 Ų262112.8 Ų112.899%0.98959%0.585SS**THydrogen-bonded Turntrans-78.2-1.8-178.6-83.7178.364.1-177.7-0.6114.7
97T54.4Low60.6Low93 Ų93116.4 Ų116.457%0.57160%0.602SS**EExtended strand (participates in β ladder)trans-110.6122.7-176.9-55.50000110.3S94 G95 V99S94-T97 PolarHBondContact N-O 2.92Å; G95-T97 VanDerWaalsContact C-N 3.26Å; G95-T97 PolarHBondContact O-N 2.76Å; T97-V99 HydrophobicContact CG2-CG2 4.08Å; T97-V99 PolarHBondContact O-N 3.3Å
98R56.6Low58.3Low127 Ų127114.7 Ų114.748%0.47961%0.607SS.*EExtended strand (participates in β ladder)trans-83.1103172.5-173.2178.6-171.5-142.7-10.4108.8A86 R89 S91A86-R98 VanDerWaalsContact O-CZ 3.28Å; A86-R98 PolarHBondContact O-NH1 3.28Å; A86-R98 PolarHBondContact O-NH2 2.85Å; R89-R98 PolarHBondContact O-NH2 2.81Å; S91-R98 VanDerWaalsContact OG-CZ 3.32Å; S91-R98 PolarHBondContact OG-NE 3.08Å; S91-R98 PolarHBondContact OG-NH2 3.02Å
99V63.3Low55.4Low63 Ų63111.8 Ų111.838%0.38261%0.612SS.*EExtended strand (participates in β ladder)trans-94.7132.6175.5-175.20000107.9S91 V92 T97 A101S91-V99 CarbonylContact C-O 3.46Å; S91-V99 WeakPolarHBondContact CA-O 3.21Å; S91-V99 WeakPolarHBondContact CB-O 3.21Å; V92-V99 PolarHBondContact N-O 2.94Å; V92-V99 VanDerWaalsContact N-O 3.12Å; V92-V99 PolarHBondContact O-N 2.76Å; T97-V99 HydrophobicContact CG2-CG2 4.08Å; T97-V99 PolarHBondContact O-N 3.3Å; V99-A101 PolarHBondContact O-N 2.89Å
100P59.4Low53.1Low89 Ų89112.7 Ų112.758%0.57863%0.633SS**EExtended strand (participates in β ladder)trans-63129.8170.927.6-33.4000109
101A57.8Low50.8Low24 Ų24116.5 Ų116.520%0.19865%0.651CS.*PPolyproline II helixtrans-77.1131.9170.600000108.3E90 V99 P103E90-A101 HydrophobicContact CB-CB 3.96Å; E90-A101 HydrophobicContact CG-CB 3.7Å; E90-A101 PolarHBondContact O-N 3.22Å; E90-A101 WeakPolarHBondContact OE2-CB 3.27Å; V99-A101 PolarHBondContact O-N 2.89Å; A101-P103 WeakPolarHBondContact O-CD 3.38Å
102T50.4Low49Very low109 Ų109119.6 Ų119.667%0.66967%0.672SS**  trans-118.988.6-177.253.10000109.8V104T102-V104 PolarHBondContact O-N 2.64Å
103P47.4Very low47.4Very low109 Ų109122.7 Ų122.771%0.70869%0.691SS**  trans-75.176.4175.331.3-34.8000110.8A101 K105A101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-K105 PolarHBondContact O-N 2.74Å
104V47.9Very low46.1Very low110 Ų110122.6 Ų122.667%0.66769%0.692SS**  trans-85.696.3170.6179.80000108.8T102 Q106T102-V104 PolarHBondContact O-N 2.64Å; V104-Q106 HydrophobicContact CG1-CG 3.94Å
105K43.6Very low45.4Very low206 Ų206124.5 Ų124.590%0.89671%0.706SS**  trans-108.792.5165.7-162.2178.8-176.2-174.30109.8P103P103-K105 PolarHBondContact O-N 2.74Å
106Q39.2Very low44Very low162 Ų162130.6 Ų130.676%0.75772%0.719SS**  trans-64.5151.2174.8-71.2160.5-18.100111.2V104 P108V104-Q106 HydrophobicContact CG1-CG 3.94Å; Q106-P108 WeakPolarHBondContact O-CD 3.11Å
107T32.7Very low43.1Very low136 Ų136123.6 Ų123.683%0.83471%0.709SS**  trans-74.4118.2165360000110S109T107-S109 PolarHBondContact O-N 2.71Å
108P38Very low42.3Very low127 Ų127124.1 Ų124.183%0.82572%0.717SS**  trans-77.6108.1168.730.6-30.4000108.9Q106Q106-P108 WeakPolarHBondContact O-CD 3.11Å
109S27.4Very low41.3Very low117 Ų117125.7 Ų125.782%0.81874%0.735SS**  trans-65.4140.2164.6-174.10000109.4T107 E111T107-S109 PolarHBondContact O-N 2.71Å; S109-E111 PolarHBondContact O-N 3.11Å
110S39.9Very low39.9Very low112 Ų112126.3 Ų126.378%0.78376%0.755SS**  trans-61.7131.1173.4-52.40000111.2
111E30.7Very low38.7Very low197 Ų197129.5 Ų129.592%0.92177%0.767SS**  trans-158.9163.9132.9-120.3173.7-177.400113.4S109S109-E111 PolarHBondContact O-N 3.11Å
112S36.6Very low37.7Very low96 Ų96133.5 Ų133.567%0.67179%0.788SS**  trans-78.3151.8-164.5-172.90000114.4
113V33.3Very low37.3Very low138 Ų138137.4 Ų137.484%0.83680%0.801SS**  -170147113.1145.90000110.5
114M35.5Very low36.8Very low152 Ų152137.8 Ų137.875%0.74979%0.794SS**  trans-76.3158.9-178.3-65.6-69.7167.600113.7
115S36.2Very low36.2Very low126 Ų126141.7 Ų141.788%0.88180%0.796SS**  trans-151.8129.7154.8-73.10000109.1
116E38.1Very low35.7Very low188 Ų188140.6 Ų140.688%0.87980%0.8SS**  trans-108.5138.9-169.2-63.7169.990.900112.4
117S37.8Very low35.3Very low114 Ų114137.2 Ų137.280%0.79780%0.799SS**  trans-162.890.1160.558.70000107.9
118S36.6Very low35.6Very low105 Ų105137 Ų13773%0.73480%0.797SS**  6811082.8-146.20000113.1
119D34.8Very low35.9Very low159 Ų159136.4 Ų136.485%0.8579%0.793SS**  trans59.2138.9162-49.6-80.2000117.9
120G35.4Very low36.1Very low77 Ų77139.7 Ų139.779%0.79480%0.796SS**  cis-169.5-166.5-3.100000106.6
121D34.4Very low35.8Very low156 Ų156139 Ų13983%0.83479%0.791SS**  cis-153.5168.8-7.2179.134.2000107.8
122V35.3Very low35.9Very low108 Ų108137.3 Ų137.366%0.65579%0.788SS**  trans-42.3131.5-175.2174.10000116.6E124V122-E124 HydrophobicContact CG1-CB 4.28Å
123M43.1Very low35.9Very low190 Ų190143 Ų14394%0.93680%0.795SS**  trans-139.191.5130.6-167.9160.4-72.100110.8
124E35.7Very low35.9Very low118 Ų118141.4 Ų141.455%0.55179%0.79SS**  trans-84.6157.8178.5-105.1-147.5121.600113.3V122V122-E124 HydrophobicContact CG1-CB 4.28Å
125R35.9Very low35.8Very low191 Ų191138.8 Ų138.872%0.72179%0.787SS**  trans50.2103.4145.4-68.4173.2160131.4-2.2118.7
126L32.8Very low35.6Very low184 Ų184138.5 Ų138.596%0.96378%0.78SS**  -129.196.7123.6-76.8-178.4000109.6
127A32.5Very low35.3Very low91 Ų91136.2 Ų136.275%0.75278%0.778SS**  trans-128120168.200000107.9
128V37Very low34.9Very low130 Ų130134.1 Ų134.179%0.78877%0.774SS**  trans-105.2121.5176.4178.40000108
129P45.2Very low34.6Very low115 Ų115132.6 Ų132.675%0.74778%0.775SS**  trans-91.9117.5174.433.3-28.7000110.4
130E32.1Very low34.4Very low186 Ų186133.3 Ų133.387%0.86978%0.779SS**  trans-111.1119.4157.6-67.3-162.7131.200108.5
131S33.4Very low34.4Very low97 Ų97133.3 Ų133.368%0.67878%0.779SS**  trans-97.9127.6171.3-60.10000108.2
132D32.1Very low34.4Very low162 Ų162135.3 Ų135.387%0.86678%0.784SS**  trans-142.9162.5153.7-131.1-27.4000114.1
133R36.9Very low34.6Very low215 Ų215135.3 Ų135.381%0.81179%0.788SS**  trans-136.5114.5-146.1-35178.4-169.1-163.5-1.7113.7
134S33.8Very low34.3Very low105 Ų105130.8 Ų130.873%0.73478%0.776SS**  trans-161.5132.6163.1-151.10000106.1
135S32.6Very low34.3Very low97 Ų97135 Ų13568%0.67879%0.792SS**  cis57.8139.142.290.30000111.7
136V31.7Very low34.6Very low121 Ų121131.5 Ų131.573%0.73380%0.795SS**  cis-150.515023.5-165.50000108.8
137V32.4Very low34.9Very low139 Ų139128.1 Ų128.184%0.84278%0.782SS**  trans56.3137.2159.5157.80000117.4
138G29Very low35.4Very low70 Ų70130 Ų13072%0.72279%0.786SS**  cis118137.918.700000109.4
139G30.8Very low35.7Very low73 Ų73130 Ų13075%0.75379%0.786SS**  trans156.2122.9-179.600000113.4
140D30.8Very low35.7Very low174 Ų174132.6 Ų132.693%0.9379%0.788SS**  trans-71.2159.4-178.5-46.6-93.3000112.8
141G35.5Very low36.2Very low78 Ų78128.9 Ų128.980%0.80478%0.778SS**  trans-167.846.9-171.700000115.9S143G141-S143 PolarHBondContact O-N 3.49Å
142E34.8Very low37.2Very low197 Ų197129.7 Ų129.792%0.92178%0.775SS**  trans-66.1120.6170.4-175.3-175.2127.400110.8
143S38.2Very low38.3Very low108 Ų108129.6 Ų129.676%0.75577%0.769SS**  trans-157.798.5165.7-1660000113.6G141G141-S143 PolarHBondContact O-N 3.49Å
144S36.7Very low38.8Very low96 Ų96126.3 Ų126.367%0.67176%0.763SS**  trans26.5120.9133.8-56.30000120.4
145F37Very low39.9Very low205 Ų205128.6 Ų128.690%0.89977%0.767SS**  trans-54145.7154.7-62.8-96.7000112.1
146P41.2Very low40.8Very low118 Ų118134 Ų13477%0.76677%0.773SS**  trans-118.1127.3135.733.5-27.8000110.5P148P146-P148 WeakPolarHBondContact O-CD 3.39Å
147T38.6Very low41.4Very low114 Ų114133.9 Ų133.970%0.69977%0.774SS**  trans-75.5122.917442.90000111.1V149T147-V149 PolarHBondContact O-N 3.13Å; T147-V149 VanDerWaalsContact O-N 3.1Å
148P43.5Very low42Very low129 Ų129134 Ų13484%0.83878%0.775SS**  trans-81.286.1166.732.6-31.6000109.5P146 E150P146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-E150 PolarHBondContact O-N 2.97Å
149V44.4Very low43.3Very low130 Ų130136.8 Ų136.879%0.78878%0.778SS**  trans-75.597160.9176.40000107.7T147T147-V149 PolarHBondContact O-N 3.13Å; T147-V149 VanDerWaalsContact O-N 3.1Å
150E43.5Very low43.9Very low170 Ų170136.6 Ų136.679%0.79478%0.776SS**  trans-153.2117.3154.9-122.2-171.9143.300115.2P148P148-E150 PolarHBondContact O-N 2.97Å
151V43.8Very low44.7Very low108 Ų108136.4 Ų136.466%0.65577%0.773SS**  trans46.6114.9136.5176.70000118.9Q153V151-Q153 WeakPolarHBondContact O-CG 3.43Å; V151-Q153 PolarHBondContact O-N 3.25Å
152N53.4Low45.3Very low115 Ų115138 Ų13862%0.61577%0.772SS**  trans-41.9122.7158.7-179.7-0000112.9E154N152-E154 PolarHBondContact ND2-OE1 3.42Å; N152-E154 WeakPolarHBondContact OD1-CB 3.34Å; N152-E154 WeakPolarHBondContact OD1-CG 3.42Å; N152-E154 PolarHBondContact OD1-N 2.74Å
153Q55.3Low45.6Very low159 Ų159131.6 Ų131.674%0.74376%0.759SS**  trans-102.819.7179.7-58.7-166.230.700114.2V151 N155V151-Q153 WeakPolarHBondContact O-CG 3.43Å; V151-Q153 PolarHBondContact O-N 3.25Å; Q153-N155 VanDerWaalsContact C-N 3.26Å; Q153-N155 PolarHBondContact O-N 3.39Å
154E47.4Very low46.3Very low146 Ų146133 Ų13368%0.68276%0.763SS**  trans-70.981.7170.585.4-169.5128.400111N152N152-E154 PolarHBondContact ND2-OE1 3.42Å; N152-E154 WeakPolarHBondContact OD1-CB 3.34Å; N152-E154 WeakPolarHBondContact OD1-CG 3.42Å; N152-E154 PolarHBondContact OD1-N 2.74Å
155N56.6Low46.8Very low153 Ų153139.1 Ų139.182%0.81877%0.772SS**  trans160.495146.1-89.7-66.6000110.5Q153Q153-N155 VanDerWaalsContact C-N 3.26Å; Q153-N155 PolarHBondContact O-N 3.39Å
156R51.6Low47.5Very low211 Ų211140.8 Ų140.880%0.79677%0.772SS**  trans-124.7130.3155-75.4-172177.1-175.51.9109.2V158R156-V158 PolarHBondContact O-N 2.89Å
157P46Very low47.9Very low118 Ų118144.1 Ų144.177%0.76678%0.778SS**  trans-67.3122.5170.628.4-32.6000108.9T159P157-T159 PolarHBondContact O-N 3.04Å
158V44.3Very low48.6Very low141 Ų141142.8 Ų142.886%0.85578%0.778SS**  trans-71.599.4178.1179.60000109.2R156 G160R156-V158 PolarHBondContact O-N 2.89Å; V158-G160 PolarHBondContact O-N 3.42Å
159T55.3Low48.9Very low129 Ų129142.6 Ų142.679%0.79178%0.777SS**  trans-68.1115166.339.10000108.8P157 I161P157-T159 PolarHBondContact O-N 3.04Å; T159-I161 PolarHBondContact O-N 3.41Å
160G43.4Very low49Very low69 Ų69142.3 Ų142.371%0.71178%0.779SS**  trans-60.1133-171.400000113.2V158 S162V158-G160 PolarHBondContact O-N 3.42Å; G160-S162 PolarHBondContact O-N 3.27Å
161I48Very low49.5Very low170 Ų170140.8 Ų140.887%0.87278%0.781SS**  trans-65.1120.7179.2-54.7175.6000109.3T159 G163T159-I161 PolarHBondContact O-N 3.41Å; I161-G163 VanDerWaalsContact C-N 3.35Å; I161-G163 PolarHBondContact O-N 3.43Å
162S49.3Very low49.6Very low112 Ų112147 Ų14778%0.78379%0.793SS**  trans-7482.2-177.9-169.80000112G160 T164G160-S162 PolarHBondContact O-N 3.27Å; S162-T164 PolarHBondContact O-N 3.47Å
163G41.3Very low49.6Very low63 Ų63153 Ų15365%0.64981%0.807SS**  trans-73.4114.6171.300000111.5I161 R165I161-G163 VanDerWaalsContact C-N 3.35Å; I161-G163 PolarHBondContact O-N 3.43Å; G163-R165 VanDerWaalsContact C-N 3.3Å; G163-R165 PolarHBondContact O-N 3.1Å
164T51.8Low49.4Very low136 Ų136155 Ų15583%0.83481%0.813SS**  trans-71.475.3-17740.50000113.1S162 R166S162-T164 PolarHBondContact O-N 3.47Å; T164-R166 PolarHBondContact O-N 3.35Å
165R47.4Very low49.3Very low226 Ų226159.2 Ų159.285%0.85382%0.823SS**  trans-67.4101.6178-169.1174.4-169.5-99.42.3111.2G163 Q167G163-R165 VanDerWaalsContact C-N 3.3Å; G163-R165 PolarHBondContact O-N 3.1Å; R165-Q167 PolarHBondContact O-N 3.21Å
166R52.3Low48.7Very low239 Ų239156.4 Ų156.490%0.90282%0.815SS**  trans-52.1125172.9-55.2-174.6-166-167.15109.8T164 A168T164-R166 PolarHBondContact O-N 3.35Å; R166-A168 PolarHBondContact O-N 2.84Å
167Q48.4Very low48.6Very low189 Ų189152.3 Ų152.388%0.88382%0.819SS**  trans-84.2114.5178.4-62.3-171.526.500110.2R165R165-Q167 PolarHBondContact O-N 3.21Å
168A54.3Low48.5Very low86 Ų86152.6 Ų152.671%0.71182%0.818SS**  trans-90.6134.5162.400000109R166 C170R166-A168 PolarHBondContact O-N 2.84Å; A168-C170 PolarHBondContact O-N 3.23Å
169P48.6Very low49Very low125 Ų125151.1 Ų151.181%0.81282%0.821SS**  trans-73.8101.1-174.628.7-34.4000111.6V171P169-V171 PolarHBondContact O-N 2.92Å
170C46.6Very low48.6Very low123 Ų123149.1 Ų149.183%0.83182%0.818SS**  trans-74109171.9520000110.7A168 R172A168-C170 PolarHBondContact O-N 3.23Å; C170-R172 PolarHBondContact O-N 2.91Å; C170-R172 VanDerWaalsContact O-N 3.13Å
171V53.6Low49.1Very low139 Ų139152.8 Ų152.884%0.84282%0.821SS**  trans-63.3115.1-178.7-179.50000110.6P169 R173P169-V171 PolarHBondContact O-N 2.92Å; V171-R173 PolarHBondContact O-N 2.97Å
172R46.1Very low49.2Very low238 Ų238152.3 Ų152.390%0.89882%0.82SS**  trans-73.185.6-174.4-170.2-179.3-175.1-179.52.6112C170 K174C170-R172 PolarHBondContact O-N 2.91Å; C170-R172 VanDerWaalsContact O-N 3.13Å; R172-K174 PolarHBondContact O-N 2.82Å
173R53.2Low49.9Very low241 Ų241154.1 Ų154.191%0.90982%0.821SS**  trans-59.4107166.5-97.1-176.9165.1172.1-4.8110V171 R175V171-R173 PolarHBondContact O-N 2.97Å; R173-R175 PolarHBondContact O-N 2.86Å; R173-R175 VanDerWaalsContact O-N 3.14Å
174K51.5Low50.8Low202 Ų202156.5 Ų156.588%0.87882%0.819SS**  trans-71.699.7175.2-174.5178.5-178.7-179.40109.5R172R172-K174 PolarHBondContact O-N 2.82Å
175R45.1Very low51.4Low233 Ų233154.9 Ų154.988%0.87981%0.809SS**PPolyproline II helixtrans-75.5133.9167.1-173.5175.5-73.2-147.5-0.2108.7R173R173-R175 PolarHBondContact O-N 2.86Å; R173-R175 VanDerWaalsContact O-N 3.14Å
176S45Very low52.4Low94 Ų94149.4 Ų149.466%0.65779%0.793SS**PPolyproline II helixtrans-67.7145.7171.737.20000111.1T178S176-T178 PolarHBondContact O-N 3.04Å
177S49.2Very low53.3Low125 Ų125145.3 Ų145.387%0.87479%0.787SS**PPolyproline II helixtrans-76.7116173.749.60000110.7
178T42.8Very low54.2Low124 Ų124140.7 Ų140.776%0.76177%0.772SS**  trans-128.7121.2166.651.30000107.3S176S176-T178 PolarHBondContact O-N 3.04Å
179A55Low54.7Low111 Ų111140.8 Ų140.892%0.91776%0.761SS**  trans-72.6139.9-170.100000113
180A47.9Very low55.4Low86 Ų86142.4 Ų142.471%0.71176%0.755SS**  trans-162.3107.9163.500000109.3
181D54.3Low56Low147 Ų147145.2 Ų145.279%0.78675%0.754SS**  trans33.687164.3-57.1-21.3000119.2N183D181-N183 VanDerWaalsContact C-N 3.26Å; D181-N183 PolarHBondContact O-N 3.3Å
182D48.4Very low56.2Low160 Ų160144.5 Ų144.586%0.85675%0.75SS**  trans-68.869.6171.5-72.8-59.5000113.5N184D182-N184 PolarHBondContact O-N 3.44Å
183N64.5Low56.8Low150 Ų150142.9 Ų142.980%0.80275%0.749SS**  trans-80.346.3167.4-79.6-75.6000112.3D181D181-N183 VanDerWaalsContact C-N 3.26Å; D181-N183 PolarHBondContact O-N 3.3Å
184N60.4Low57.2Low113 Ų113142.8 Ų142.860%0.60475%0.749SS**  trans-112.162.2179.7-171.437.5000111D182D182-N184 PolarHBondContact O-N 3.44Å
185T64.3Low57.7Low102 Ų102142.8 Ų142.863%0.62675%0.749SS**  trans-71.3126.1170.738.80000110
186H69.2Low57.7Low110 Ų110141 Ų14151%0.50975%0.747SS.*  trans-80.5148.4178.8-75.7-92000110T188 D189H186-T188 PolarHBondContact O-N 3.46Å; H186-D189 PolarHBondContact N-OD2 3.01Å; H186-D189 WeakPolarHBondContact O-CB 3.33Å; H186-D189 PolarHBondContact O-N 3.28Å
187I70.3Confident57.7Low153 Ų153140.9 Ų140.979%0.78575%0.752SS**THydrogen-bonded Turntrans-59.3-19.7-174.6-163.4167.7000113.8D189I187-D189 VanDerWaalsContact C-N 3.33Å
188T66.8Low57.7Low93 Ų93139.5 Ų139.557%0.57175%0.748SS**THydrogen-bonded Turntrans-65.7-29.2172.741.10000114.3H186 F190 F191H186-T188 PolarHBondContact O-N 3.46Å; T188-F190 VanDerWaalsContact C-N 3.27Å; T188-F190 PolarHBondContact O-N 3.41Å; T188-F191 PolarHBondContact O-N 2.89Å
189D65Low57.6Low87 Ų87141.3 Ų141.347%0.46575%0.753SS.*G310 helixtrans-76.3-20.3-160-54.1-13.1000112.1H186 I187 F191H186-D189 PolarHBondContact N-OD2 3.01Å; H186-D189 WeakPolarHBondContact O-CB 3.33Å; H186-D189 PolarHBondContact O-N 3.28Å; I187-D189 VanDerWaalsContact C-N 3.33Å; D189-F191 VanDerWaalsContact C-N 3.33Å; D189-F191 PolarHBondContact O-N 3.27Å
190F63.9Low57.6Low160 Ų160147.2 Ų147.270%0.70275%0.752SS**G310 helixtrans-69-23.1179.4-82.5-91.8000114.4T188T188-F190 VanDerWaalsContact C-N 3.27Å; T188-F190 PolarHBondContact O-N 3.41Å
191F59.5Low58.3Low181 Ų181150.5 Ų150.579%0.79476%0.757SS**G310 helixtrans-97.4-2.1-165.3-72.8-80.7000115.9T188 D189 K193T188-F191 PolarHBondContact O-N 2.89Å; D189-F191 VanDerWaalsContact C-N 3.33Å; D189-F191 PolarHBondContact O-N 3.27Å; F191-K193 PolarHBondContact O-N 2.81Å
192V57.4Low58.2Low125 Ų125149.6 Ų149.676%0.75876%0.759SS**SBendtrans-78.1-17.4-172.1-170.10000113.6R194V192-R194 PolarHBondContact O-N 2.93Å
193K59.2Low58.8Low203 Ų203151.2 Ų151.288%0.88376%0.758SS**  trans-101.678-169.6-78.5175.9175.5169.20115.2F191F191-K193 PolarHBondContact O-N 2.81Å
194R60.9Low58.4Low239 Ų239149.1 Ų149.190%0.90275%0.753SS**  trans-145.561.1154.4-159.7-177.6-75.5-169.5-1.1114.8V192V192-R194 PolarHBondContact O-N 2.93Å
195K62.5Low58Low203 Ų203150 Ų15088%0.88377%0.765SS**  trans-172.8153161.9-104.8163.462.4-176.10106.1
196K45.7Very low57.4Low194 Ų194152.7 Ų152.784%0.84377%0.774SS**  cis-161.8137.6-3.1161.5-147.3171.1-168.20104.6
197A44.4Very low56.5Low93 Ų93152.6 Ų152.677%0.76979%0.785SS**  cis-163.5-143.1-13.300000103.9
198A48.6Very low55.8Low96 Ų96151.5 Ų151.579%0.79379%0.786SS**  cis-165.4163.3-5.500000106.9
199D41.1Very low55.1Low161 Ų161156.3 Ų156.386%0.86180%0.799SS**  trans-142.2160.2158.1-146.4-22.6000111.4
200R56.2Low54.7Low235 Ų235160.8 Ų160.889%0.88782%0.817SS**  trans-106.8109.2-167.1-71.2-173176.2-161.51.6113.7
201L61.3Low54.5Low156 Ų156159.2 Ų159.282%0.81782%0.821SS**  trans-120.6143.6152.4-8785000110.8
202P52Low54.5Low127 Ų127155.9 Ų155.983%0.82582%0.819SS**PPolyproline II helixtrans-71.2139.1178.130-34.3000111.3
203K61.5Low54.8Low194 Ų194161.6 Ų161.684%0.84383%0.827SS**PPolyproline II helixtrans-96.4139.7171-67.6-179.5177.5-178.50109.8
204P55.5Low55.3Low107 Ų107161 Ų16170%0.69583%0.825SS**PPolyproline II helixtrans-66.5153.5171.329.4-34.7000111.1I206P204-I206 PolarHBondContact O-N 3.03Å
205P52.4Low55Low132 Ų132161 Ų16186%0.85783%0.825SS**PPolyproline II helixtrans-72.7116.5-176.828.8-34.2000111.7
206I51.4Low55Low157 Ų157158.7 Ų158.781%0.80582%0.821SS**PPolyproline II helixtrans-82.8121.5169.9-59.9174.3000108.2P204 V208P204-I206 PolarHBondContact O-N 3.03Å; I206-V208 PolarHBondContact O-N 3.14Å
207S50.5Low55.9Low108 Ų108164.5 Ų164.576%0.75584%0.837SS**PPolyproline II helixtrans-76.4117.9-178.652.90000112K209S207-K209 PolarHBondContact O-N 3.03Å
208V55.4Low56.5Low131 Ų131168.1 Ų168.179%0.79484%0.84SS**  trans-82.6100.2177.1-175.60000109.5I206 Q210I206-V208 PolarHBondContact O-N 3.14Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.27Å
209K52.8Low56.9Low194 Ų194171.8 Ų171.884%0.84384%0.843SS**  trans-71.588.9166.5-81.6-168.6175.2-178.20110S207 T211S207-K209 PolarHBondContact O-N 3.03Å; K209-T211 PolarHBondContact O-N 3.49Å; K209-T211 VanDerWaalsContact O-N 3.13Å
210Q56.2Low57.8Low181 Ų181172.4 Ų172.485%0.84684%0.842SS**  trans-68.2103.3175.7-179.1172.8-28.800110.9V208V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.27Å
211T60Low57.9Low127 Ų127168.8 Ų168.878%0.77984%0.839SS**  trans-77.5123.5175.6490000110.6K209 R213K209-T211 PolarHBondContact O-N 3.49Å; K209-T211 VanDerWaalsContact O-N 3.13Å; T211-R213 PolarHBondContact O-N 3.06Å
212S60.3Low57.6Low110 Ų110169.6 Ų169.677%0.76984%0.841SS**  trans-78.391.1-177.444.80000111.5K214S212-K214 PolarHBondContact O-N 3.13Å
213R63.9Low58Low245 Ų245172.4 Ų172.493%0.92584%0.842SS**  trans-65.892.6176.6-160.8176.5-165.9-177.54.5110.5T211 R215T211-R213 PolarHBondContact O-N 3.06Å; R213-R215 PolarHBondContact O-N 3.27Å
214K68.3Low57.8Low192 Ų192170.9 Ų170.984%0.83584%0.842SS**  trans-57.4120.8178-72.9-174.1177.3-179.30110.3S212S212-K214 PolarHBondContact O-N 3.13Å
215R55.9Low57.9Low239 Ų239175.8 Ų175.890%0.90285%0.853SS**  trans-79.9114167.4174.5175169.2-171.4-2.9108.2R213R213-R215 PolarHBondContact O-N 3.27Å
216I60.6Low58.4Low154 Ų154179.4 Ų179.479%0.7985%0.853SS**  trans-67.5149.1168-62.6173.6000108
217R65.6Low59Low315 Ų315181.5 Ų181.5100%1.18986%0.857SS**  trans-90.80175.2-83.8-171.6169.5104.2-5.5110.2

Retrieved 217 of 217 residues in 52.7 ms (Link to these results)