A0A087XMY1_POEFO Loading...

Enkurin, TRPC channel interacting protein

AlphaFold DB , UniProt , Accession A0A087XMY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 254 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
1M42.9Very low61.9Low244 Ų244129.6 Ų129.6100%1.20276%0.758SS**  0116.20-65.6-152.8-84.700106.5
2S44Very low63.2Low125 Ų125133.5 Ų133.587%0.87475%0.752SS**PPolyproline II helixtrans-81.4117.9-173.446.80000110.3A4S2-A4 PolarHBondContact O-N 2.9Å
3E50.9Low64.2Low188 Ų188132.1 Ų132.188%0.87974%0.742SS**PPolyproline II helixtrans-68.5122.7175-74.4174.1155.700110.1I5E3-I5 PolarHBondContact O-N 3.07Å
4A56.7Low65.2Low73 Ų73137.6 Ų137.660%0.60375%0.745SS**PPolyproline II helixtrans-79.1117.8175.500000109.4S2 Y6S2-A4 PolarHBondContact O-N 2.9Å; A4-Y6 HydrophobicContact CB-CE2 4.06Å; A4-Y6 PolarHBondContact O-N 3.01Å
5I59.7Low66.5Low165 Ų165135.3 Ų135.385%0.84673%0.731SS**  trans-80.9110.9173.9-60.6166.7000107.5E3E3-I5 PolarHBondContact O-N 3.07Å
6Y60.4Low67.5Low198 Ų198134.3 Ų134.378%0.77673%0.733SS**  trans-88.1131.7171-69.8-85000109.7A4A4-Y6 HydrophobicContact CB-CE2 4.06Å; A4-Y6 PolarHBondContact O-N 3.01Å
7P67.1Low68.1Low107 Ų107137.6 Ų137.670%0.69574%0.739SS**  trans-69.2142.117628.4-32.8000110.8G9P7-G9 PolarHBondContact O-N 3.17Å
8A70.1Confident68.8Low118 Ų118140.6 Ų140.698%0.97575%0.747SS**SBendtrans-72.917-170.900000115.8
9G72.6Confident69.3Low40 Ų40142.7 Ų142.741%0.41275%0.753SS.*SBendtrans-155.3143.6-175.300000113.1P7P7-G9 PolarHBondContact O-N 3.17Å
10S78.1Confident69.8Low58 Ų58144.7 Ų144.741%0.40676%0.758SS.*  trans-84.2142.6175.7-1670000109.5Y12 D13S10-Y12 PolarHBondContact O-N 2.88Å; S10-Y12 WeakPolarHBondContact OG-CD2 3.42Å; S10-D13 WeakPolarHBondContact CB-OD2 3.37Å; S10-D13 PolarHBondContact N-OD2 3.39Å; S10-D13 WeakPolarHBondContact O-CB 3.48Å; S10-D13 PolarHBondContact O-N 3.24Å
11V78.3Confident70.4Confident110 Ų110146.1 Ų146.167%0.66776%0.76SS**G310 helixtrans-54.7-27.9178.4175.40000111.8D13 W14V11-D13 VanDerWaalsContact C-N 3.29Å; V11-D13 PolarHBondContact O-N 3.41Å; V11-W14 PolarHBondContact O-N 3.18Å
12Y77.2Confident72.4Confident176 Ų176142.1 Ų142.169%0.6974%0.742SS**G310 helixtrans-71.3-18.1178.5-56-73.8000114.2S10 W14 I15S10-Y12 PolarHBondContact O-N 2.88Å; S10-Y12 WeakPolarHBondContact OG-CD2 3.42Å; Y12-W14 VanDerWaalsContact C-N 3.26Å; Y12-W14 PolarHBondContact O-N 2.65Å; Y12-I15 HydrophobicContact CD1-CD1 4.09Å; Y12-I15 PolarHBondContact O-N 3.29Å
13D77Confident74.5Confident115 Ų115145.1 Ų145.162%0.61574%0.74SS**G310 helixtrans-76.9-15.8178.2-59.5-39.5000112.3S10 V11S10-D13 WeakPolarHBondContact CB-OD2 3.37Å; S10-D13 PolarHBondContact N-OD2 3.39Å; S10-D13 WeakPolarHBondContact O-CB 3.48Å; S10-D13 PolarHBondContact O-N 3.24Å; V11-D13 VanDerWaalsContact C-N 3.29Å; V11-D13 PolarHBondContact O-N 3.41Å
14W77.4Confident76.3Confident209 Ų209145.3 Ų145.379%0.79274%0.737SS**G310 helixtrans-92.7-3.2178.2-61.6-7.9000113.3V11 Y12 P16V11-W14 PolarHBondContact O-N 3.18Å; Y12-W14 VanDerWaalsContact C-N 3.26Å; Y12-W14 PolarHBondContact O-N 2.65Å; W14-P16 VanDerWaalsContact O-CD 3.26Å; W14-P16 WeakPolarHBondContact O-CD 3.39Å
15I85.3Confident77.9Confident104 Ų104147.2 Ų147.253%0.53374%0.744SS.*SBendtrans-79.3113.3173.3-57.6173.8000107.1Y12 K17Y12-I15 HydrophobicContact CD1-CD1 4.09Å; Y12-I15 PolarHBondContact O-N 3.29Å; I15-K17 PolarHBondContact O-N 2.81Å; I15-K17 VanDerWaalsContact O-N 3.09Å
16P81.5Confident79.4Confident118 Ų118145.3 Ų145.377%0.76674%0.742SS**  trans-60.1119.5178.5-19.932.8000109.1W14 E18W14-P16 VanDerWaalsContact O-CD 3.26Å; W14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-E18 PolarHBondContact O-N 3.45Å
17K78.8Confident80.9Confident191 Ų191146.8 Ų146.883%0.8375%0.746SS**  trans-68125.2174-66.3179.1-177.6174.10107.9I15 Q19I15-K17 PolarHBondContact O-N 2.81Å; I15-K17 VanDerWaalsContact O-N 3.09Å; K17-Q19 PolarHBondContact O-N 2.91Å
18E81.1Confident82.2Confident191 Ų191150.4 Ų150.489%0.89375%0.747SS**  trans-58.8112.7175.5-166.8170.8-17300108.3P16 E20P16-E18 PolarHBondContact O-N 3.45Å; E18-E20 PolarHBondContact O-N 3.24Å
19Q77.3Confident83.3Confident182 Ų182148.6 Ų148.685%0.8572%0.724SS**  trans-71.2114.4177.4-77.9179.4-32.900108K17 E21K17-Q19 PolarHBondContact O-N 2.91Å; Q19-E21 PolarHBondContact O-N 3.06Å
20E80.3Confident84.4Confident182 Ų182149 Ų14985%0.8572%0.721SS**  trans-59.3113.9173.6-65.1-175.4176.900109.5E18 I22E18-E20 PolarHBondContact O-N 3.24Å; E20-I22 PolarHBondContact O-N 3.46Å
21E82.7Confident85.2Confident174 Ų174154.9 Ų154.981%0.81374%0.739SS**  trans-64.6107.9175.7-70.1-169.1166.300109.9Q19 K23Q19-E21 PolarHBondContact O-N 3.06Å; E21-K23 PolarHBondContact O-N 3.12Å
22I84Confident86Confident160 Ų160156.5 Ų156.582%0.82174%0.737SS**  trans-67100.2177.9-55.8171.2000109E20 K24E20-I22 PolarHBondContact O-N 3.46Å; I22-K24 PolarHBondContact O-N 2.89Å
23K87.1Confident86.8Confident189 Ų189155.2 Ų155.282%0.82273%0.731SS**  trans-69.2111.2174.6-66.8-177.2-176.5175.80109.8E21E21-K23 PolarHBondContact O-N 3.12Å
24K89.4Confident87.6Confident191 Ų191153.6 Ų153.683%0.8373%0.727SS**PPolyproline II helixtrans-59.8137.6177.2-65178-176.8175.40110.1I22I22-K24 PolarHBondContact O-N 2.89Å
25P89.7Confident88.4Confident114 Ų114145.7 Ų145.774%0.7471%0.706SS**PPolyproline II helixtrans-64.1152.517827.1-34.3000110.9
26P91.2Very high88.8Confident124 Ų124144.8 Ų144.881%0.80571%0.705SS**PPolyproline II helixtrans-60.1143.9176.125.5-33.5000110.8Y28P26-Y28 PolarHBondContact O-N 3.08Å
27R92.7Very high89.3Confident230 Ų230142.9 Ų142.987%0.86869%0.687SS**PPolyproline II helixtrans-62.7137179-172-176.5-62.8162.81.6110.3
28Y94.3Very high89.9Confident183 Ų183139.2 Ų139.272%0.71868%0.676SS**PPolyproline II helixtrans-57.1137173.3174.6-99.6000112.1P26P26-Y28 PolarHBondContact O-N 3.08Å
29V92.9Very high90.4Very high79 Ų79136.1 Ų136.148%0.47966%0.662SS.*  trans-124.8130.6172-175.70000108.8R33V29-R33 HydrophobicContact CG1-CB 4.27Å; V29-R33 VanDerWaalsContact CG1-CD 3.44Å
30S95.4Very high90.8Very high49 Ų49131.9 Ų131.934%0.34364%0.642SS.*  trans-63137.4179.7174.80000112.1F32 R33S30-F32 PolarHBondContact O-N 3.49Å; S30-F32 VanDerWaalsContact O-N 3.15Å; S30-F32 PolarHBondContact OG-N 3.28Å; S30-R33 VanDerWaalsContact O-CB 3.28Å; S30-R33 WeakPolarHBondContact O-CB 3.45Å; S30-R33 PolarHBondContact O-N 3.3Å; S30-R33 VanDerWaalsContact O-N 3.11Å
31K95.3Very high91.1Very high181 Ų181128.5 Ų128.579%0.78763%0.628SS**THydrogen-bonded Turntrans-57.9-25.3173.4-62.8-177.9-179.5-179.10112.8
32F95.3Very high91.1Very high145 Ų145127.2 Ų127.264%0.63663%0.625SS**THydrogen-bonded Turntrans-92-4.6-177.5-56.6-71.2000113.7S30 P34 A35 V36S30-F32 PolarHBondContact O-N 3.49Å; S30-F32 VanDerWaalsContact O-N 3.15Å; S30-F32 PolarHBondContact OG-N 3.28Å; F32-P34 VanDerWaalsContact C-CD 3.47Å; F32-A35 PolarHBondContact O-N 3.42Å; F32-A35 VanDerWaalsContact O-N 3.11Å; F32-V36 WeakPolarHBondContact O-CG2 3.28Å; F32-V36 PolarHBondContact O-N 3.35Å; F32-V36 VanDerWaalsContact O-N 3.08Å
33R93.4Very high90.8Very high149 Ų149124.6 Ų124.656%0.56262%0.617SS**Hα-helixtrans-50.2-46.4178-174.1178.5178.2-1700.6113.9V29 S30 A35 V36 I37V29-R33 HydrophobicContact CG1-CB 4.27Å; V29-R33 VanDerWaalsContact CG1-CD 3.44Å; S30-R33 VanDerWaalsContact O-CB 3.28Å; S30-R33 WeakPolarHBondContact O-CB 3.45Å; S30-R33 PolarHBondContact O-N 3.3Å; S30-R33 VanDerWaalsContact O-N 3.11Å; R33-A35 PolarHBondContact O-N 3.13Å; R33-V36 PolarHBondContact O-N 3.49Å; R33-I37 HydrophobicContact CG-CD1 4.06Å; R33-I37 VanDerWaalsContact O-CG1 3.31Å; R33-I37 WeakPolarHBondContact O-CG1 3.27Å; R33-I37 PolarHBondContact O-N 3.13Å; R33-I37 VanDerWaalsContact O-N 3.16Å
34P94.6Very high90.4Very high80 Ų80121.2 Ų121.252%0.51960%0.602SS.*Hα-helixtrans-64.9-3817924.5-33.8000112.8F32 I37 L38F32-P34 VanDerWaalsContact C-CD 3.47Å; P34-I37 PolarHBondContact O-N 3.04Å; P34-L38 WeakPolarHBondContact O-CG 3.24Å; P34-L38 PolarHBondContact O-N 2.83Å; P34-L38 VanDerWaalsContact O-N 3.08Å
35A94.4Very high90Very high43 Ų43116.8 Ų116.836%0.35559%0.588SS.*Hα-helixtrans-63.6-45.7178.400000111.7F32 R33 I37 L38 E39F32-A35 PolarHBondContact O-N 3.42Å; F32-A35 VanDerWaalsContact O-N 3.11Å; R33-A35 PolarHBondContact O-N 3.13Å; A35-I37 VanDerWaalsContact C-N 3.3Å; A35-I37 PolarHBondContact O-N 3.49Å; A35-L38 PolarHBondContact O-N 3.03Å; A35-L38 VanDerWaalsContact O-N 3.14Å; A35-E39 WeakPolarHBondContact O-CG 3.48Å; A35-E39 PolarHBondContact O-N 3.44Å
36V92.6Very high89.4Confident85 Ų85116.9 Ų116.952%0.51560%0.598SS.*Hα-helixtrans-61.7-38.6177.7174.90000111.7F32 R33 H40F32-V36 WeakPolarHBondContact O-CG2 3.28Å; F32-V36 PolarHBondContact O-N 3.35Å; F32-V36 VanDerWaalsContact O-N 3.08Å; R33-V36 PolarHBondContact O-N 3.49Å; V36-H40 VanDerWaalsContact O-CB 3.25Å; V36-H40 WeakPolarHBondContact O-CB 3.47Å; V36-H40 PolarHBondContact O-N 3.18Å
37I92.6Very high89Confident78 Ų78117.3 Ų117.340%0.459%0.587SS.*Hα-helixtrans-62.7-46.7175.7-68.1165.6000110.1R33 P34 A35 H40 M41R33-I37 HydrophobicContact CG-CD1 4.06Å; R33-I37 VanDerWaalsContact O-CG1 3.31Å; R33-I37 WeakPolarHBondContact O-CG1 3.27Å; R33-I37 PolarHBondContact O-N 3.13Å; R33-I37 VanDerWaalsContact O-N 3.16Å; P34-I37 PolarHBondContact O-N 3.04Å; A35-I37 VanDerWaalsContact C-N 3.3Å; A35-I37 PolarHBondContact O-N 3.49Å; I37-H40 PolarHBondContact O-N 3.1Å; I37-M41 HydrophobicContact CG2-CE 4.44Å; I37-M41 HydrophobicContact CG2-CG 4.3Å; I37-M41 WeakPolarHBondContact O-CB 3.31Å; I37-M41 WeakPolarHBondContact O-CG 3.44Å; I37-M41 PolarHBondContact O-N 3.18Å
38L91.9Very high88.6Confident114 Ų114113.7 Ų113.760%0.59758%0.578SS**Hα-helixtrans-62.3-47.6179.3-68.4173.8000111.8P34 A35 H40 M41 L42P34-L38 WeakPolarHBondContact O-CG 3.24Å; P34-L38 PolarHBondContact O-N 2.83Å; P34-L38 VanDerWaalsContact O-N 3.08Å; A35-L38 PolarHBondContact O-N 3.03Å; A35-L38 VanDerWaalsContact O-N 3.14Å; L38-H40 VanDerWaalsContact C-N 3.32Å; L38-H40 PolarHBondContact O-N 3.2Å; L38-M41 PolarHBondContact O-N 2.81Å; L38-M41 VanDerWaalsContact O-N 3.14Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.36Å
39E90.5Very high88.1Confident127 Ų127111.3 Ų111.359%0.59358%0.583SS**Hα-helixtrans-58.2-43.9177.8-72.2175.5-179.800112.4A35 M41 L42 T43A35-E39 WeakPolarHBondContact O-CG 3.48Å; A35-E39 PolarHBondContact O-N 3.44Å; E39-M41 VanDerWaalsContact C-N 3.34Å; E39-M41 PolarHBondContact O-N 3.18Å; E39-L42 PolarHBondContact O-N 2.81Å; E39-T43 PolarHBondContact O-N 2.91Å; E39-T43 PolarHBondContact O-OG1 3.41Å
40H87.4Confident87.9Confident93 Ų93115.7 Ų115.743%0.43160%0.6SS.*Hα-helixtrans-70.5-28178.2172.5-101.6000113.1V36 I37 L38 T43 K44V36-H40 VanDerWaalsContact O-CB 3.25Å; V36-H40 WeakPolarHBondContact O-CB 3.47Å; V36-H40 PolarHBondContact O-N 3.18Å; I37-H40 PolarHBondContact O-N 3.1Å; L38-H40 VanDerWaalsContact C-N 3.32Å; L38-H40 PolarHBondContact O-N 3.2Å; H40-T43 PolarHBondContact O-OG1 3.39Å; H40-K44 WeakPolarHBondContact CE1-CE 3.45Å; H40-K44 PolarHBondContact CE1-NZ 3.34Å; H40-K44 WeakPolarHBondContact NE2-CE 3.44Å; H40-K44 PolarHBondContact NE2-NZ 3.5Å; H40-K44 WeakPolarHBondContact O-CG 3.12Å
41M85Confident87.5Confident111 Ų111115 Ų11555%0.54760%0.6SS.*Hα-helixtrans-79.4-36.8174.4-66.9-60.4170.800112.1I37 L38 E39 T43 K44I37-M41 HydrophobicContact CG2-CE 4.44Å; I37-M41 HydrophobicContact CG2-CG 4.3Å; I37-M41 WeakPolarHBondContact O-CB 3.31Å; I37-M41 WeakPolarHBondContact O-CG 3.44Å; I37-M41 PolarHBondContact O-N 3.18Å; L38-M41 PolarHBondContact O-N 2.81Å; L38-M41 VanDerWaalsContact O-N 3.14Å; E39-M41 VanDerWaalsContact C-N 3.34Å; E39-M41 PolarHBondContact O-N 3.18Å; M41-T43 PolarHBondContact O-N 3.01Å; M41-K44 PolarHBondContact O-N 2.85Å; M41-K44 VanDerWaalsContact O-N 3.12Å
42L84.3Confident87.2Confident146 Ų146108.7 Ų108.776%0.76458%0.578SS**Hα-helixtrans-62.3-28.7179.2-74.7170.8000113.3L38 E39 K44L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.36Å; E39-L42 PolarHBondContact O-N 2.81Å; L42-K44 VanDerWaalsContact C-N 3.3Å
43T77.3Confident86.7Confident105 Ų105108.8 Ų108.864%0.64459%0.593SS**THydrogen-bonded Turntrans-83.3-4.9179.548.70000113.5E39 H40 M41E39-T43 PolarHBondContact O-N 2.91Å; E39-T43 PolarHBondContact O-OG1 3.41Å; H40-T43 PolarHBondContact O-OG1 3.39Å; M41-T43 PolarHBondContact O-N 3.01Å
44K78.8Confident86.4Confident119 Ų119110.5 Ų110.552%0.51760%0.604SS.*  trans-104.4114.8-176.9-68.8-176.1-177.9-163.30111.9H40 M41 L42H40-K44 WeakPolarHBondContact CE1-CE 3.45Å; H40-K44 PolarHBondContact CE1-NZ 3.34Å; H40-K44 WeakPolarHBondContact NE2-CE 3.44Å; H40-K44 PolarHBondContact NE2-NZ 3.5Å; H40-K44 WeakPolarHBondContact O-CG 3.12Å; M41-K44 PolarHBondContact O-N 2.85Å; M41-K44 VanDerWaalsContact O-N 3.12Å; L42-K44 VanDerWaalsContact C-N 3.3Å
45D80.1Confident85.9Confident98 Ų98111.7 Ų111.752%0.52461%0.61SS.*  trans-81.9127.3166.2-54.5-55.1000109.4K47 K48D45-K47 PolarHBondContact O-N 3.23Å; D45-K48 HydrophobicContact CB-CB 4.09Å; D45-K48 HydrophobicContact CB-CD 4.3Å; D45-K48 HydrophobicContact CB-CG 4.43Å; D45-K48 PolarHBondContact O-N 3.39Å; D45-K48 WeakPolarHBondContact OD2-CD 3.47Å; D45-K48 WeakPolarHBondContact OD2-CE 3.4Å; D45-K48 IonicContact OD2-NZ 3.83Å; D45-K48 PolarHBondContact OD2-NZ 3.36Å
46A77.6Confident85.3Confident116 Ų116118.3 Ų118.396%0.95963%0.634SS**THydrogen-bonded Turntrans-55.9-22.5-169.100000116.1
47K82.3Confident84.9Confident133 Ų133121.7 Ų121.758%0.57865%0.648SS**THydrogen-bonded Turntrans-142.636.4-175.459.9-173.5178.2-176.20113.5D45 G51 P52D45-K47 PolarHBondContact O-N 3.23Å; K47-G51 WeakPolarHBondContact O-CA 3.47Å; K47-G51 PolarHBondContact O-N 3.35Å; K47-P52 HydrophobicContact CD-CB 4.04Å; K47-P52 HydrophobicContact CD-CG 4.32Å
48K83.9Confident84.2Confident154 Ų154123.3 Ų123.367%0.6766%0.663SS**THydrogen-bonded Turntrans-64.7-41.5-175.5-156169.4-167.9141.40114.5D45D45-K48 HydrophobicContact CB-CB 4.09Å; D45-K48 HydrophobicContact CB-CD 4.3Å; D45-K48 HydrophobicContact CB-CG 4.43Å; D45-K48 PolarHBondContact O-N 3.39Å; D45-K48 WeakPolarHBondContact OD2-CD 3.47Å; D45-K48 WeakPolarHBondContact OD2-CE 3.4Å; D45-K48 IonicContact OD2-NZ 3.83Å; D45-K48 PolarHBondContact OD2-NZ 3.36Å
49T85.3Confident83.9Confident133 Ų133120.3 Ų120.382%0.81665%0.652SS**THydrogen-bonded Turntrans-81.8-48.7-168.5-47.50000112.9
50M87Confident83.6Confident171 Ų171119.8 Ų119.884%0.84266%0.66SS**THydrogen-bonded Turntrans-117.6-0.8-171.9-59.8-57.3-68.200113.8
51G87.8Confident83.5Confident34 Ų34121.9 Ų121.935%0.35167%0.674SS.*  trans67.1-173.8-174.100000113.5K47K47-G51 WeakPolarHBondContact O-CA 3.47Å; K47-G51 PolarHBondContact O-N 3.35Å
52P88.8Confident83.4Confident48 Ų48124.8 Ų124.831%0.31268%0.684SS.*  trans-74.9145.617531.2-31.3000111.1K47 K54 V55K47-P52 HydrophobicContact CD-CB 4.04Å; K47-P52 HydrophobicContact CD-CG 4.32Å; P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 3.26Å; P52-V55 HydrophobicContact CG-CG2 3.95Å
53P84.6Confident83.3Confident147 Ų147125.5 Ų125.596%0.95568%0.677SS**SBendtrans-66.1-29.4-177.625.6-34.3000113.3
54K86.8Confident83.7Confident185 Ų185126.1 Ų126.180%0.80468%0.676SS**SBendtrans-131.9116.6169.9-165.6172.2-175.9178.50107.7P52 E56P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 3.26Å; K54-E56 PolarHBondContact O-N 3.33Å
55V84.8Confident84Confident105 Ų105126.8 Ų126.864%0.63668%0.679SS**PPolyproline II helixtrans-76.8118.5176.31790000107.7P52 L57P52-V55 HydrophobicContact CG-CG2 3.95Å; V55-L57 PolarHBondContact O-N 3.29Å
56E81.8Confident84.4Confident182 Ų182130.8 Ų130.885%0.8569%0.692SS**PPolyproline II helixtrans-68.6124.7173.2-65.2-172.9-179.300109.6K54K54-E56 PolarHBondContact O-N 3.33Å
57L83.3Confident84.7Confident157 Ų157130.6 Ų130.682%0.82267%0.671SS**PPolyproline II helixtrans-74.6136.9176.3-63.3174.8000109.2V55 S59V55-L57 PolarHBondContact O-N 3.29Å; L57-S59 PolarHBondContact O-N 3.33Å
58P79.2Confident84.8Confident111 Ų111127.6 Ų127.672%0.72167%0.666SS**PPolyproline II helixtrans-63.5131176.726.5-32.9000110
59S85.4Confident84.7Confident51 Ų51128.2 Ų128.236%0.35767%0.669SS.*PPolyproline II helixtrans-60.7137.6172.1168.10000110.1L57 D61 K62L57-S59 PolarHBondContact O-N 3.33Å; S59-D61 PolarHBondContact O-N 2.9Å; S59-D61 VanDerWaalsContact O-N 3.08Å; S59-K62 PolarHBondContact O-N 3.27Å
60P84.6Confident84.7Confident117 Ų117127.8 Ų127.876%0.7666%0.658SS**THydrogen-bonded Turntrans-53.3-29.6179.8-25.533.3000114.2K62P60-K62 VanDerWaalsContact C-N 3.28Å; P60-K62 PolarHBondContact O-N 2.95Å
61D85.8Confident84.3Confident137 Ų137125.3 Ų125.373%0.73366%0.655SS**THydrogen-bonded Turntrans-73.4-19.2179.7-60.6-31.6000113.2S59 Y63S59-D61 PolarHBondContact O-N 2.9Å; S59-D61 VanDerWaalsContact O-N 3.08Å; D61-Y63 PolarHBondContact O-N 2.92Å
62K81.7Confident83.9Confident172 Ų172132.7 Ų132.775%0.74868%0.677SS**SBendtrans-10146.5-177.5-62.7-178.6-176.3176.20111.5S59 P60S59-K62 PolarHBondContact O-N 3.27Å; P60-K62 VanDerWaalsContact C-N 3.28Å; P60-K62 PolarHBondContact O-N 2.95Å
63Y82.6Confident83.2Confident160 Ų160135.5 Ų135.563%0.62770%0.695SS**  trans-68.7155.5175.667.5-91.4000112.1D61 K65D61-Y63 PolarHBondContact O-N 2.92Å; Y63-K65 HydrophobicContact CD2-CG 4.38Å; Y63-K65 HydrophobicContact CE2-CG 3.95Å; Y63-K65 PolarHBondContact O-N 3.4Å
64L84.8Confident82.7Confident118 Ų118134.3 Ų134.362%0.61869%0.687SS**  trans-68.7112.7-178.5-170.972.5000110.8S68 K69L64-S68 WeakPolarHBondContact CD1-OG 3.37Å; L64-K69 HydrophobicContact CD1-CD 4.11Å; L64-K69 HydrophobicContact CD1-CG 4.11Å
65K86.1Confident82.1Confident134 Ų134134 Ų13458%0.58369%0.689SS**  trans-83.9153.1176.3-63.7-179-178.6179.80111.6Y63 H67 S68Y63-K65 HydrophobicContact CD2-CG 4.38Å; Y63-K65 HydrophobicContact CE2-CG 3.95Å; Y63-K65 PolarHBondContact O-N 3.4Å; K65-H67 PolarHBondContact O-N 3.26Å; K65-S68 VanDerWaalsContact O-CB 3.25Å; K65-S68 WeakPolarHBondContact O-CB 3.45Å; K65-S68 PolarHBondContact O-N 3.46Å; K65-S68 VanDerWaalsContact O-N 3.14Å; K65-S68 PolarHBondContact O-OG 3.37Å
66K89Confident81Confident182 Ų182139.6 Ų139.679%0.79170%0.699SS**THydrogen-bonded Turntrans-53.1133.3174.9-161.4-168.7-176.7-170.50109.7S68K66-S68 PolarHBondContact O-N 2.95Å
67H82.6Confident80Confident112 Ų112135.7 Ų135.752%0.51969%0.688SS.*THydrogen-bonded Turntrans64.210.7-179-52.2-62.5000117.6K65 K69 H70K65-H67 PolarHBondContact O-N 3.26Å; H67-K69 PolarHBondContact O-N 3.08Å; H67-H70 AromaticContact ND1-CD2 3.78Å; H67-H70 AromaticContact ND1-NE2 3.74Å; H67-H70 PolarHBondContact O-N 3.03Å
68S84.1Confident78.8Confident69 Ų69137.8 Ų137.848%0.48369%0.693SS.*THydrogen-bonded Turntrans-64.7-31.6-178.253.20000115.2L64 K65 K66L64-S68 WeakPolarHBondContact CD1-OG 3.37Å; K65-S68 VanDerWaalsContact O-CB 3.25Å; K65-S68 WeakPolarHBondContact O-CB 3.45Å; K65-S68 PolarHBondContact O-N 3.46Å; K65-S68 VanDerWaalsContact O-N 3.14Å; K65-S68 PolarHBondContact O-OG 3.37Å; K66-S68 PolarHBondContact O-N 2.95Å
69K83.3Confident77.5Confident168 Ų168136.2 Ų136.273%0.7368%0.684SS**THydrogen-bonded Turntrans-94.6-3179.4-70.3179.2178.1179.60113.9L64 H67L64-K69 HydrophobicContact CD1-CD 4.11Å; L64-K69 HydrophobicContact CD1-CG 4.11Å; H67-K69 PolarHBondContact O-N 3.08Å
70H84.1Confident76Confident123 Ų123142.2 Ų142.257%0.56971%0.707SS**SBendtrans-73.6127.8178.7-73.3-101.8000108.5H67 K72H67-H70 AromaticContact ND1-CD2 3.78Å; H67-H70 AromaticContact ND1-NE2 3.74Å; H67-H70 PolarHBondContact O-N 3.03Å; H70-K72 PolarHBondContact O-N 2.72Å
71P79.8Confident74.5Confident120 Ų120144.5 Ų144.578%0.77971%0.713SS**  trans-60.5114.417424.8-31.5000107.7P73P71-P73 WeakPolarHBondContact O-CD 3.46Å
72K78.1Confident72.9Confident188 Ų188141.1 Ų141.182%0.81771%0.71SS**PPolyproline II helixtrans-71.6122.3172.3-70.1-178.3-178.8-179.80106.8H70H70-K72 PolarHBondContact O-N 2.72Å
73P74.7Confident71.3Confident108 Ų108140.9 Ų140.970%0.70171%0.712SS**PPolyproline II helixtrans-58.6146.6170.825.4-31.5000108.5P71 E75P71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-E75 PolarHBondContact O-N 3.14Å
74P75.3Confident70.1Confident121 Ų121143.2 Ų143.279%0.78673%0.725SS**PPolyproline II helixtrans-54.6130.1172.924-32.4000108.6R76P74-R76 PolarHBondContact O-N 3.23Å
75E72.9Confident68.5Low180 Ų180143.2 Ų143.284%0.84173%0.73SS**PPolyproline II helixtrans-62.1125.3174-159.7161.6-154.700107.1P73 T77P73-E75 PolarHBondContact O-N 3.14Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.38Å
76R62Low67.1Low221 Ų221148.4 Ų148.483%0.83475%0.746SS**  trans-70.891.4179.5-68.7-177.7-176.8177.31107.2P74 E78P74-R76 PolarHBondContact O-N 3.23Å; R76-E78 PolarHBondContact O-N 3.31Å
77T60.1Low65.5Low101 Ų101145.3 Ų145.362%0.6274%0.742SS**  trans-67.1123161.2500000106.4E75 S79E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.38Å; T77-S79 WeakPolarHBondContact CB-OG 3.35Å; T77-S79 PolarHBondContact O-N 3.37Å; T77-S79 PolarHBondContact OG1-OG 2.78Å
78E59.1Low64.3Low201 Ų201145.4 Ų145.494%0.93975%0.754SS**  trans-69.354.1161.1-62.3-179.1-18000108.2R76R76-E78 PolarHBondContact O-N 3.31Å
79S50.7Low63.2Low77 Ų77147 Ų14754%0.53877%0.772SS.*  trans-97.8113167.352.40000105T77T77-S79 WeakPolarHBondContact CB-OG 3.35Å; T77-S79 PolarHBondContact O-N 3.37Å; T77-S79 PolarHBondContact OG1-OG 2.78Å
80E55.6Low62.4Low178 Ų178145 Ų14583%0.83277%0.773SS**SBendtrans-42.9141.9170.5-59.5-179.615000110
81D52.4Low61.5Low165 Ų165149.7 Ų149.788%0.88279%0.786SS**SBendtrans78.886.8176-52.1-32.6000117.5
82G52.3Low61.2Low66 Ų66152.9 Ų152.968%0.6879%0.787SS**  trans173.91.4161.200000119.1K84G82-K84 VanDerWaalsContact C-N 3.33Å; G82-K84 PolarHBondContact O-N 3.02Å
83H48.2Very low61.1Low167 Ų167149.6 Ų149.677%0.77379%0.785SS**  trans-82.277.5173.8-74.114.3000111.1
84K57.7Low61.3Low209 Ų209149 Ų14991%0.90979%0.79SS**  trans-101.762164.1-69.5-177.1-174.9175.30110.4G82G82-K84 VanDerWaalsContact C-N 3.33Å; G82-K84 PolarHBondContact O-N 3.02Å
85T51.4Low61.6Low117 Ų117149.5 Ų149.572%0.71879%0.79SS**  trans-80.8127.5151.938.80000107.5T87T85-T87 PolarHBondContact O-N 2.93Å
86R56.5Low62.2Low244 Ų244145.6 Ų145.692%0.92178%0.78SS**  trans-47.599.6-176.3-61.5169.177.8-1795.5109.9C88R86-C88 PolarHBondContact O-N 2.82Å
87T54.7Low63.3Low116 Ų116144.8 Ų144.871%0.71278%0.777SS**  trans-68.1121169.4470000106.3T85 A89T85-T87 PolarHBondContact O-N 2.93Å; T87-A89 PolarHBondContact O-N 2.95Å
88C58.1Low64.3Low114 Ų114152.5 Ų152.577%0.7780%0.795SS**  trans-54.9108.8169.3-60.10000107R86 V90R86-C88 PolarHBondContact O-N 2.82Å; C88-V90 PolarHBondContact O-N 3.45Å
89A61Low65.4Low103 Ų103149 Ų14985%0.85179%0.788SS**SBendtrans-65.4-5.4-169.200000114T87T87-A89 PolarHBondContact O-N 2.95Å
90V65.5Low66.9Low125 Ų125151.4 Ų151.476%0.75879%0.79SS**  trans-106.887176.6-170.50000108.7C88 K92C88-V90 PolarHBondContact O-N 3.45Å; V90-K92 PolarHBondContact O-N 3.41Å
91R66.5Low68Low223 Ų223152.2 Ų152.284%0.84279%0.791SS**  trans-71.5113.3162.6-69.9-176.2177.9-177.3-0.2107
92K72.8Confident69.2Low187 Ų187149 Ų14981%0.81378%0.779SS**PPolyproline II helixtrans-55.1143.1166.3-67.6179.5179.2179.60108.1V90V90-K92 PolarHBondContact O-N 3.41Å
93P75.1Confident70.2Confident119 Ų119153.1 Ų153.177%0.77378%0.784SS**PPolyproline II helixtrans-57149.1176.825.4-34000110.1
94A79.4Confident71.4Confident96 Ų96152.9 Ų152.979%0.79379%0.786SS**PPolyproline II helixtrans-58.7142.2176.600000110
95V82.1Confident72Confident131 Ų131145.6 Ų145.679%0.79477%0.77SS**PPolyproline II helixtrans-61.6133.3178.7-177.90000108.9
96P85.7Confident72.7Confident97 Ų97146.4 Ų146.463%0.6377%0.768SS**PPolyproline II helixtrans-52.4140.9176.6-28.135.5000111.9E100P96-E100 WeakPolarHBondContact CA-OE2 3.15Å
97R84.1Confident73.1Confident205 Ų205142.9 Ų142.977%0.77476%0.762SS**PPolyproline II helixtrans-76.9152-178.2-68-176.6176-169.7-0.6110.2T99 E100R97-T99 PolarHBondContact O-N 2.95Å; R97-E100 PolarHBondContact N-OE2 3.49Å; R97-E100 VanDerWaalsContact O-CB 3.28Å; R97-E100 WeakPolarHBondContact O-CB 3.27Å; R97-E100 PolarHBondContact O-N 3.15Å
98R80.4Confident73.6Confident263 Ų263142.2 Ų142.299%0.99276%0.758SS**THydrogen-bonded Turntrans-55.7-25178-165177.7113.8116.7-0.4113.7
99T83.4Confident74.2Confident128 Ų128146.7 Ų146.779%0.78576%0.764SS**THydrogen-bonded Turntrans-84.1-14179.4-22.60000113.4R97 K101R97-T99 PolarHBondContact O-N 2.95Å; T99-K101 PolarHBondContact O-N 3.23Å
100E82.4Confident74.6Confident127 Ų127149 Ų14959%0.59375%0.751SS**  trans-83.9108.3-175.7-162.3174.1-172.600109.5P96 R97P96-E100 WeakPolarHBondContact CA-OE2 3.15Å; R97-E100 PolarHBondContact N-OE2 3.49Å; R97-E100 VanDerWaalsContact O-CB 3.28Å; R97-E100 WeakPolarHBondContact O-CB 3.27Å; R97-E100 PolarHBondContact O-N 3.15Å
101K78.9Confident74.6Confident195 Ų195147.6 Ų147.685%0.84874%0.74SS**  trans-83.2120.8177.3-64174-1761780108.1T99T99-K101 PolarHBondContact O-N 3.23Å
102P76.2Confident74.5Confident96 Ų96144.8 Ų144.862%0.62373%0.734SS**  trans-61.8151176.527.1-33.9000109.9M104P102-M104 HydrophobicContact CG-CG 4.47Å; P102-M104 PolarHBondContact O-N 2.95Å
103L75Confident74.1Confident153 Ų153143.4 Ų143.480%0.80173%0.734SS**  trans-57100.1172-87.7147.5000109.3
104M73.1Confident73.3Confident163 Ų163144.2 Ų144.280%0.80373%0.728SS**  trans-93.4131.9177.8-73-78.270.100110.8P102P102-M104 HydrophobicContact CG-CG 4.47Å; P102-M104 PolarHBondContact O-N 2.95Å
105G69.4Low72.1Confident55 Ų55142.1 Ų142.157%0.56771%0.705SS**  trans92.734.5174.600000115.9Q107G105-Q107 PolarHBondContact O-N 3.3Å
106I65.5Low70.9Confident135 Ų135141.1 Ų141.169%0.69270%0.699SS**  trans-71.276.5161.6-51.4174.4000108T108I106-T108 PolarHBondContact O-N 3.08Å
107Q66Low69.3Low170 Ų170142.3 Ų142.379%0.79471%0.705SS**  trans-74.9103.7172.5-63.6-67.4-2.700107.4G105 K109G105-Q107 PolarHBondContact O-N 3.3Å; Q107-K109 PolarHBondContact O-N 3.07Å
108T65.6Low68.2Low101 Ų101139.9 Ų139.962%0.6270%0.704SS**  trans-72.3121.3175.5-4.70000107.9I106 R110I106-T108 PolarHBondContact O-N 3.08Å; T108-R110 HydrophobicContact CG2-CB 4.49Å; T108-R110 PolarHBondContact O-N 3.33Å
109K70.6Confident67.4Low208 Ų208136.2 Ų136.290%0.90470%0.696SS**  trans-70.932.5171.1-63.2-177.1-179.9-179.80112.3Q107 N111Q107-K109 PolarHBondContact O-N 3.07Å; K109-N111 PolarHBondContact O-N 3.19Å
110R68.1Low66.6Low151 Ų151135.7 Ų135.757%0.5769%0.694SS**  trans-84.9118-176-167.4173.7-174.4148.23.7108.2T108 F112 T115T108-R110 HydrophobicContact CG2-CB 4.49Å; T108-R110 PolarHBondContact O-N 3.33Å; R110-F112 PolarHBondContact O-N 3.45Å; R110-T115 PolarHBondContact NE-OG1 2.92Å; R110-T115 VanDerWaalsContact NE-OG1 3.13Å; R110-T115 VanDerWaalsContact NH2-CG2 3.3Å
111N66.7Low66.1Low97 Ų97138.3 Ų138.352%0.51971%0.709SS.*  trans-66.1104.6171.9-68.9-35.4000109.3K109 L113 Q114 T115K109-N111 PolarHBondContact O-N 3.19Å; N111-L113 PolarHBondContact O-N 3.2Å; N111-Q114 HydrophobicContact CB-CB 4.05Å; N111-Q114 HydrophobicContact CB-CG 4.1Å; N111-Q114 PolarHBondContact ND2-OE1 2.94Å; N111-Q114 PolarHBondContact O-N 3.4Å; N111-Q114 VanDerWaalsContact O-N 3.13Å; N111-T115 PolarHBondContact O-N 3.01Å; N111-T115 PolarHBondContact O-OG1 3.12Å
112F63.3Low66Low163 Ų163138.5 Ų138.572%0.71571%0.709SS**THydrogen-bonded Turntrans-61.6-21.4177.9-62-76000113R110R110-F112 PolarHBondContact O-N 3.45Å
113L65.6Low66.2Low158 Ų158139.7 Ų139.783%0.82772%0.718SS**THydrogen-bonded Turntrans-82-20.7177.6-59.8175.5000114N111 T116N111-L113 PolarHBondContact O-N 3.2Å; L113-T116 PolarHBondContact O-OG1 3.24Å
114Q58.4Low66.5Low136 Ų136140.4 Ų140.464%0.63671%0.714SS**THydrogen-bonded Turntrans-97.6-16.2-178-73.1-179.7-23.300113.4N111 T116N111-Q114 HydrophobicContact CB-CB 4.05Å; N111-Q114 HydrophobicContact CB-CG 4.1Å; N111-Q114 PolarHBondContact ND2-OE1 2.94Å; N111-Q114 PolarHBondContact O-N 3.4Å; N111-Q114 VanDerWaalsContact O-N 3.13Å; Q114-T116 PolarHBondContact O-N 3.15Å
115T53.9Low67Low53 Ų53135.4 Ų135.433%0.32570%0.699SS.*G310 helixtrans-74.5-11.4-179.1-54.90000112.4R110 N111 V117 M118R110-T115 PolarHBondContact NE-OG1 2.92Å; R110-T115 VanDerWaalsContact NE-OG1 3.13Å; R110-T115 VanDerWaalsContact NH2-CG2 3.3Å; N111-T115 PolarHBondContact O-N 3.01Å; N111-T115 PolarHBondContact O-OG1 3.12Å; T115-V117 VanDerWaalsContact C-N 3.31Å; T115-V117 PolarHBondContact O-N 3.27Å; T115-M118 PolarHBondContact O-N 3.43Å
116T55.5Low67.8Low109 Ų109137 Ų13767%0.66969%0.693SS**G310 helixtrans-78.8-4.9-179.341.30000114.7L113 Q114 M118L113-T116 PolarHBondContact O-OG1 3.24Å; Q114-T116 PolarHBondContact O-N 3.15Å; T116-M118 PolarHBondContact O-N 2.88Å
117V53.6Low68.7Low122 Ų122132.1 Ų132.174%0.73967%0.672SS**G310 helixtrans-79.25.5171.2-153.60000111.9T115 F119T115-V117 VanDerWaalsContact C-N 3.31Å; T115-V117 PolarHBondContact O-N 3.27Å; V117-F119 PolarHBondContact O-N 3.47Å; V117-F119 VanDerWaalsContact O-N 3.08Å
118M59.6Low69.7Low154 Ų154127.9 Ų127.976%0.75966%0.657SS**SBendtrans-72.4103.7165.8-149.316567.500107T115 T116T115-M118 PolarHBondContact O-N 3.43Å; T116-M118 PolarHBondContact O-N 2.88Å
119F64.1Low70.4Confident187 Ų187130.8 Ų130.882%0.8267%0.669SS**  trans-37.4123.4177.5-89.6-96.3000110.1V117 M121V117-F119 PolarHBondContact O-N 3.47Å; V117-F119 VanDerWaalsContact O-N 3.08Å; F119-M121 PolarHBondContact O-N 3.23Å
120P67.3Low71.1Confident116 Ų116123.9 Ų123.975%0.75364%0.644SS**  trans-58.1111.7179.922.7-31.8000108.1K122P120-K122 PolarHBondContact O-N 3.38Å; P120-K122 VanDerWaalsContact O-N 3.12Å
121M71.8Confident72Confident183 Ų183126.3 Ų126.390%0.90166%0.659SS**PPolyproline II helixtrans-62.7118.5174.7-75.7-165.7138.500107.5F119F119-M121 PolarHBondContact O-N 3.23Å
122K76.8Confident72.9Confident198 Ų198128.3 Ų128.386%0.86167%0.665SS**PPolyproline II helixtrans-58.4123.7176.5-65.7-177.2-178.4179.80108P120P120-K122 PolarHBondContact O-N 3.38Å; P120-K122 VanDerWaalsContact O-N 3.12Å
123P79.6Confident73.9Confident122 Ų122122.1 Ų122.179%0.79265%0.647SS**PPolyproline II helixtrans-62144.3177.325.8-33.1000109.5A125P123-A125 PolarHBondContact O-N 3.42Å
124K82Confident74.9Confident167 Ų167119.7 Ų119.773%0.72663%0.632SS**PPolyproline II helixtrans-62136.1174.6-66.5-178.9-179.9-179.90109I126K124-I126 WeakPolarHBondContact O-CG1 3.42Å; K124-I126 PolarHBondContact O-N 3.3Å
125A83.8Confident76.2Confident59 Ų59121 Ų12149%0.48864%0.635SS.*PPolyproline II helixtrans-66118176.700000110.1P123 L138P123-A125 PolarHBondContact O-N 3.42Å; A125-L138 HydrophobicContact CB-CB 3.99Å; A125-L138 HydrophobicContact CB-CD2 3.9Å; A125-L138 WeakPolarHBondContact O-CB 3.47Å; A125-L138 PolarHBondContact O-N 3.03Å
126I85.8Confident77.7Confident87 Ų87123.4 Ų123.445%0.44664%0.643SS.*EExtended strand (participates in β ladder)trans-130.3133-175.6-67.1165.4000107.3K124 V128 K135 Q136K124-I126 WeakPolarHBondContact O-CG1 3.42Å; K124-I126 PolarHBondContact O-N 3.3Å; I126-V128 HydrophobicContact CG2-CG2 4.27Å; I126-K135 HydrophobicContact CG2-CB 3.56Å; I126-K135 HydrophobicContact CG2-CD 4.34Å; I126-K135 HydrophobicContact CG2-CG 3.78Å; I126-Q136 CarbonylContact C-O 3.54Å; I126-Q136 WeakPolarHBondContact CA-O 3.25Å; I126-Q136 WeakPolarHBondContact CG2-O 3.23Å
127S84.5Confident79.2Confident34 Ų34121.3 Ų121.324%0.23863%0.627CS.*EExtended strand (participates in β ladder)trans-94.9138.5169.860.20000109.9Q136S127-Q136 PolarHBondContact N-O 3.37Å; S127-Q136 PolarHBondContact O-N 2.87Å; S127-Q136 PolarHBondContact OG-O 3.35Å
128V86.7Confident80.7Confident80 Ų80117.8 Ų117.849%0.48560%0.604SS.*EExtended strand (participates in β ladder)trans-127.8112.8173.6-1780000106.9I126 K135I126-V128 HydrophobicContact CG2-CG2 4.27Å; V128-K135 HydrophobicContact CG2-CG 3.69Å
129D81.6Confident81.8Confident162 Ų162115.8 Ų115.887%0.86659%0.593SS**  trans-105.7-30.4-177.2-170.332.4000111.6
130T85.4Confident82.5Confident63 Ų63112.2 Ų112.239%0.38758%0.582SS.*SBendtrans-89.9143-174.6-22.40000112.4E132 G133T130-E132 PolarHBondContact O-N 3.03Å; T130-G133 PolarHBondContact O-N 3.06Å
131K85.6Confident83.1Confident203 Ų203108.1 Ų108.188%0.88356%0.556SS**THydrogen-bonded Turntrans-55.1-25172.668.8178.6-177.9178.90114.2G133K131-G133 VanDerWaalsContact C-N 3.26Å
132E85.3Confident83.6Confident138 Ų138102.7 Ų102.765%0.64555%0.547SS*.THydrogen-bonded Turntrans-80-6.4178.2-64.1177.1-179.400113T130 H134T130-E132 PolarHBondContact O-N 3.03Å; E132-H134 IonicContact OE2-CD2 2.93Å; E132-H134 IonicContact OE2-CE1 3.73Å; E132-H134 IonicContact OE2-NE2 3.75Å; E132-H134 PolarHBondContact OE2-NE2 3.13Å
133G85.4Confident83.8Confident34 Ų3499.4 Ų99.435%0.35154%0.538SS..  trans82.725.9175.900000114.8T130 K131 K135T130-G133 PolarHBondContact O-N 3.06Å; K131-G133 VanDerWaalsContact C-N 3.26Å; G133-K135 PolarHBondContact O-N 3.47Å
134H86.3Confident84.1Confident107 Ų10796.4 Ų96.450%0.49552%0.517SS..  trans-62.1120.8174.8-65.9-60.8000110.5E132E132-H134 IonicContact OE2-CD2 2.93Å; E132-H134 IonicContact OE2-CE1 3.73Å; E132-H134 IonicContact OE2-NE2 3.75Å; E132-H134 PolarHBondContact OE2-NE2 3.13Å
135K86.4Confident84.2Confident164 Ų16492 Ų9271%0.71351%0.505SS*.EExtended strand (participates in β ladder)trans-100.1115.3-174.4-74.4177.1-172.1-174.20110.2I126 V128 G133I126-K135 HydrophobicContact CG2-CB 3.56Å; I126-K135 HydrophobicContact CG2-CD 4.34Å; I126-K135 HydrophobicContact CG2-CG 3.78Å; V128-K135 HydrophobicContact CG2-CG 3.69Å; G133-K135 PolarHBondContact O-N 3.47Å
136Q84.5Confident84.3Confident102 Ų10293.4 Ų93.448%0.47750%0.501SS..EExtended strand (participates in β ladder)trans-107.2133.8171.9-175.7167.8-16.500110.2I126 S127 L138I126-Q136 CarbonylContact C-O 3.54Å; I126-Q136 WeakPolarHBondContact CA-O 3.25Å; I126-Q136 WeakPolarHBondContact CG2-O 3.23Å; S127-Q136 PolarHBondContact N-O 3.37Å; S127-Q136 PolarHBondContact O-N 2.87Å; S127-Q136 PolarHBondContact OG-O 3.35Å; Q136-L138 PolarHBondContact O-N 2.95Å
137L87.5Confident84.2Confident65 Ų6596.9 Ų96.934%0.3451%0.509SS..EExtended strand (participates in β ladder)trans-71.5128.8177.4-155.2164.9000109.1E139 N140L137-E139 VanDerWaalsContact C-N 3.25Å; L137-E139 HydrophobicContact CD2-CB 3.73Å; L137-E139 HydrophobicContact CD2-CG 3.64Å; L137-E139 PolarHBondContact O-N 3.39Å; L137-N140 PolarHBondContact O-N 2.96Å; L137-N140 VanDerWaalsContact O-N 3.1Å
138L84.9Confident84.4Confident49 Ų4999.5 Ų99.526%0.25752%0.524SS..G310 helixtrans-60-32.2-171.1-166.369.1000113A125 Q136 N140 S141 L143 V144A125-L138 HydrophobicContact CB-CB 3.99Å; A125-L138 HydrophobicContact CB-CD2 3.9Å; A125-L138 WeakPolarHBondContact O-CB 3.47Å; A125-L138 PolarHBondContact O-N 3.03Å; Q136-L138 PolarHBondContact O-N 2.95Å; L138-N140 PolarHBondContact O-N 3.48Å; L138-S141 PolarHBondContact O-N 3.29Å; L138-S141 PolarHBondContact O-OG 2.98Å; L138-L143 HydrophobicContact CD1-CB 4.16Å; L138-L143 HydrophobicContact CD1-CD1 3.88Å; L138-V144 HydrophobicContact CD2-CG2 3.88Å; L138-V144 HydrophobicContact CG-CG2 3.75Å
139E81.8Confident84.4Confident112 Ų112103.1 Ų103.152%0.52354%0.537SS..G310 helixtrans-59.8-29.3177.9-62.3-172.9-164.900114.3L137 K146L137-E139 VanDerWaalsContact C-N 3.25Å; L137-E139 HydrophobicContact CD2-CB 3.73Å; L137-E139 HydrophobicContact CD2-CG 3.64Å; L137-E139 PolarHBondContact O-N 3.39Å; E139-K146 IonicContact OE2-NZ 2.88Å; E139-K146 PolarHBondContact OE2-NZ 3.08Å
140N80.4Confident84.9Confident112 Ų112101 Ų10160%0.59952%0.52SS*.G310 helixtrans-101.1-2-177.1-62.5-19.9000112.3L137 L138 G142L137-N140 PolarHBondContact O-N 2.96Å; L137-N140 VanDerWaalsContact O-N 3.1Å; L138-N140 PolarHBondContact O-N 3.48Å; N140-G142 VanDerWaalsContact C-N 3.27Å; N140-G142 PolarHBondContact O-N 3.47Å
141S79.6Confident85.1Confident30 Ų30107.3 Ų107.321%0.2154%0.543CS..SBendtrans-79.1-6.6-177.569.30000114.2L138 L143L138-S141 PolarHBondContact O-N 3.29Å; L138-S141 PolarHBondContact O-OG 2.98Å; S141-L143 PolarHBondContact O-N 3.38Å; S141-L143 WeakPolarHBondContact OG-CB 3.48Å; S141-L143 PolarHBondContact OG-N 3.36Å
142G81.2Confident85.4Confident68 Ų68103.1 Ų103.170%0.70153%0.53SS*.SBendtrans74.6-9-173.600000114.2N140 V144N140-G142 VanDerWaalsContact C-N 3.27Å; N140-G142 PolarHBondContact O-N 3.47Å; G142-V144 PolarHBondContact O-N 3.37Å
143L82.2Confident85.7Confident129 Ų129103.7 Ų103.768%0.67553%0.527SS*.SBendtrans-72.8-17.2176.1-62.1174.3000113.1L138 S141L138-L143 HydrophobicContact CD1-CB 4.16Å; L138-L143 HydrophobicContact CD1-CD1 3.88Å; S141-L143 PolarHBondContact O-N 3.38Å; S141-L143 WeakPolarHBondContact OG-CB 3.48Å; S141-L143 PolarHBondContact OG-N 3.36Å
144V84.9Confident85.9Confident60 Ų60105.7 Ų105.736%0.36455%0.548SS..SBendtrans-111.3123.4177.6177.50000109.1L138 G142 K146L138-V144 HydrophobicContact CD2-CG2 3.88Å; L138-V144 HydrophobicContact CG-CG2 3.75Å; G142-V144 PolarHBondContact O-N 3.37Å; V144-K146 VanDerWaalsContact C-N 3.29Å; V144-K146 PolarHBondContact O-N 2.93Å
145P85.3Confident86.3Confident73 Ų73107 Ų10747%0.47455%0.554SS.*  trans-71.980.9179.928.5-34000111.5V148P145-V148 HydrophobicContact CB-CB 4.41Å; P145-V148 HydrophobicContact CB-CG2 4.43Å
146K84.3Confident86.7Confident90 Ų90103.3 Ų103.339%0.39155%0.545SS..THydrogen-bonded Turntrans-73.8-39.9-177.4-176.4172.1-176.9159.60113.6E139 V144E139-K146 IonicContact OE2-NZ 2.88Å; E139-K146 PolarHBondContact OE2-NZ 3.08Å; V144-K146 VanDerWaalsContact C-N 3.29Å; V144-K146 PolarHBondContact O-N 2.93Å
147Y85.3Confident87.2Confident159 Ų159101.4 Ų101.462%0.62454%0.542SS*.THydrogen-bonded Turntrans-85.8-25.2-172.6-63.4-74000113.6K150 Y153Y147-K150 HydrophobicContact CD1-CD 4.27Å; Y147-K150 WeakPolarHBondContact O-CB 3.43Å; Y147-K150 PolarHBondContact O-N 3.4Å; Y147-Y153 VanDerWaalsContact O-CD2 3.27Å; Y147-Y153 WeakPolarHBondContact O-CD2 3.29Å
148V87.9Confident87.6Confident89 Ų89105 Ų10554%0.53956%0.559SS.*THydrogen-bonded Turntrans-72.3-34.5176.9-177.90000111P145 K150P145-V148 HydrophobicContact CB-CB 4.41Å; P145-V148 HydrophobicContact CB-CG2 4.43Å; V148-K150 PolarHBondContact O-N 3.45Å
149M86.9Confident88.1Confident156 Ų156110.1 Ų110.177%0.76858%0.576SS**THydrogen-bonded Turntrans-86.115.4178.3-62.4-170166.300113.5
150K91.5Very high88.8Confident117 Ų117108 Ų10851%0.50957%0.568SS.*  trans-67.8142.9172.6-82.4-176.4163.5-1680109.7Y147 V148 D152 Y153Y147-K150 HydrophobicContact CD1-CD 4.27Å; Y147-K150 WeakPolarHBondContact O-CB 3.43Å; Y147-K150 PolarHBondContact O-N 3.4Å; V148-K150 PolarHBondContact O-N 3.45Å; K150-D152 VanDerWaalsContact C-N 3.26Å; K150-D152 PolarHBondContact O-N 3.14Å; K150-Y153 VanDerWaalsContact O-CB 3.24Å; K150-Y153 WeakPolarHBondContact O-CB 3.31Å; K150-Y153 PolarHBondContact O-N 2.96Å
151K90.7Very high89.5Confident197 Ų197106.7 Ų106.786%0.85756%0.558SS**THydrogen-bonded Turntrans-60.1-40.6178.1-64.1-176.1178.3-175.30111.7Y153K151-Y153 PolarHBondContact O-N 3.16Å
152D90.2Very high90.3Very high114 Ų114111 Ų11161%0.6158%0.578SS**THydrogen-bonded Turntrans-91.417.8-175.6-29.5-34.4000111.4K150 G154 E155K150-D152 VanDerWaalsContact C-N 3.26Å; K150-D152 PolarHBondContact O-N 3.14Å; D152-G154 PolarHBondContact O-N 3.36Å; D152-E155 PolarHBondContact O-N 3.48Å
153Y91.6Very high91.1Very high150 Ų150115.2 Ų115.259%0.58857%0.573SS**THydrogen-bonded Turntrans-71.4122.4-179.6-171.8-95.4000110Y147 K150 K151 E155Y147-Y153 VanDerWaalsContact O-CD2 3.27Å; Y147-Y153 WeakPolarHBondContact O-CD2 3.29Å; K150-Y153 VanDerWaalsContact O-CB 3.24Å; K150-Y153 WeakPolarHBondContact O-CB 3.31Å; K150-Y153 PolarHBondContact O-N 2.96Å; K151-Y153 PolarHBondContact O-N 3.16Å; Y153-E155 VanDerWaalsContact C-N 3.29Å
154G90.9Very high91.8Very high77 Ų77112.6 Ų112.679%0.79457%0.565SS**THydrogen-bonded Turntrans86.4-6.6-175.600000114.2D152D152-G154 PolarHBondContact O-N 3.36Å
155E94.6Very high92.3Very high134 Ų134114.2 Ų114.263%0.62657%0.569SS**SBendtrans-85.5143.4172.7-63.1-17317700110.9D152 Y153 P157D152-E155 PolarHBondContact O-N 3.48Å; Y153-E155 VanDerWaalsContact C-N 3.29Å; E155-P157 VanDerWaalsContact O-CD 3.31Å; E155-P157 WeakPolarHBondContact O-CD 3.35Å
156V94Very high92.9Very high87 Ų87113.5 Ų113.553%0.52757%0.568SS.*PPolyproline II helixtrans-77.9120.4175.6179.30000108.8L160 Q161V156-L160 HydrophobicContact CG1-CB 3.89Å; V156-L160 HydrophobicContact CG1-CD1 4.22Å; V156-Q161 HydrophobicContact CG1-CG 4.15Å; V156-Q161 PolarHBondContact O-NE2 3.34Å
157P95.8Very high93.4Very high62 Ų62113.6 Ų113.640%0.40357%0.57SS.*PPolyproline II helixtrans-56.2142.2179-28.535.3000113.7E155 Y159 L160 Q161E155-P157 VanDerWaalsContact O-CD 3.31Å; E155-P157 WeakPolarHBondContact O-CD 3.35Å; P157-Y159 HydrophobicContact CB-CD1 3.47Å; P157-Y159 VanDerWaalsContact CB-CD1 3.47Å; P157-Y159 HydrophobicContact CB-CE1 3.33Å; P157-Y159 HydrophobicContact CG-CE1 3.9Å; P157-Y159 PolarHBondContact O-N 3.14Å; P157-Y159 VanDerWaalsContact O-N 3.08Å; P157-L160 WeakPolarHBondContact O-CB 3.18Å; P157-L160 PolarHBondContact O-N 3.08Å; P157-Q161 PolarHBondContact O-N 3.11Å
158M95.1Very high94Very high141 Ų141114.2 Ų114.270%0.69557%0.572SS**Hα-helixtrans-50.6-37.6-179.1-73.2-59.5-5800114.1L160 Q161 L162M158-L160 VanDerWaalsContact C-N 3.29Å; M158-L160 PolarHBondContact O-N 3.49Å; M158-Q161 PolarHBondContact O-N 2.83Å; M158-L162 PolarHBondContact O-N 2.94Å
159Y95.4Very high94.4Very high156 Ų156116 Ų11661%0.61257%0.572SS**Hα-helixtrans-66.2-30.9-178.979.5-90.4000112.8P157 R163P157-Y159 HydrophobicContact CB-CD1 3.47Å; P157-Y159 VanDerWaalsContact CB-CD1 3.47Å; P157-Y159 HydrophobicContact CB-CE1 3.33Å; P157-Y159 HydrophobicContact CG-CE1 3.9Å; P157-Y159 PolarHBondContact O-N 3.14Å; P157-Y159 VanDerWaalsContact O-N 3.08Å; Y159-R163 WeakPolarHBondContact O-CB 3.41Å; Y159-R163 PolarHBondContact O-N 3.21Å; Y159-R163 VanDerWaalsContact O-N 3.07Å
160L96.2Very high94.8Very high68 Ų68110.6 Ų110.636%0.35655%0.552SS.*Hα-helixtrans-72.5-37.3176.4-70.1179.9000111.2V156 P157 M158 R163 S164V156-L160 HydrophobicContact CG1-CB 3.89Å; V156-L160 HydrophobicContact CG1-CD1 4.22Å; P157-L160 WeakPolarHBondContact O-CB 3.18Å; P157-L160 PolarHBondContact O-N 3.08Å; M158-L160 VanDerWaalsContact C-N 3.29Å; M158-L160 PolarHBondContact O-N 3.49Å; L160-R163 PolarHBondContact O-N 3.08Å; L160-S164 WeakPolarHBondContact O-CB 3.48Å; L160-S164 PolarHBondContact O-N 3.49Å
161Q95.7Very high94.9Very high84 Ų84110.5 Ų110.539%0.39355%0.554SS.*Hα-helixtrans-62.7-49.7174.7-60.1179-0.600110.4V156 P157 M158 R163 S164 E165V156-Q161 HydrophobicContact CG1-CG 4.15Å; V156-Q161 PolarHBondContact O-NE2 3.34Å; P157-Q161 PolarHBondContact O-N 3.11Å; M158-Q161 PolarHBondContact O-N 2.83Å; Q161-R163 VanDerWaalsContact C-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.11Å; Q161-S164 PolarHBondContact O-N 3.02Å; Q161-S164 VanDerWaalsContact O-N 3.15Å; Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 2.75Å
162L96.8Very high95.1Very high121 Ų121103.8 Ų103.863%0.63454%0.535SS*.Hα-helixtrans-57.3-41.7177.2-176.965000112.1M158 E165 A166M158-L162 PolarHBondContact O-N 2.94Å; L162-E165 PolarHBondContact O-N 3.42Å; L162-A166 PolarHBondContact O-N 2.79Å; L162-A166 VanDerWaalsContact O-N 3.08Å
163R97.1Very high95.3Very high156 Ų156104.6 Ų104.659%0.58954%0.535SS*.Hα-helixtrans-65-46176.7-176.7179.8175.81685.7111.9Y159 L160 Q161 E165 A166 E167Y159-R163 WeakPolarHBondContact O-CB 3.41Å; Y159-R163 PolarHBondContact O-N 3.21Å; Y159-R163 VanDerWaalsContact O-N 3.07Å; L160-R163 PolarHBondContact O-N 3.08Å; Q161-R163 VanDerWaalsContact C-N 3.28Å; Q161-R163 PolarHBondContact O-N 3.11Å; R163-E165 VanDerWaalsContact C-N 3.3Å; R163-E165 PolarHBondContact O-N 3.32Å; R163-A166 PolarHBondContact O-N 3.15Å; R163-E167 WeakPolarHBondContact CG-OE1 3.44Å; R163-E167 IonicContact CZ-OE1 3.78Å; R163-E167 IonicContact NE-OE1 2.75Å; R163-E167 PolarHBondContact NE-OE1 2.86Å; R163-E167 IonicContact NH2-OE1 3.39Å; R163-E167 WeakPolarHBondContact O-CG 3.27Å; R163-E167 PolarHBondContact O-N 3.36Å
164S96.9Very high95.1Very high73 Ų73102.1 Ų102.151%0.5153%0.532SS..Hα-helixtrans-60.7-40.1178178.20000111.9L160 Q161 E167 R168L160-S164 WeakPolarHBondContact O-CB 3.48Å; L160-S164 PolarHBondContact O-N 3.49Å; Q161-S164 PolarHBondContact O-N 3.02Å; Q161-S164 VanDerWaalsContact O-N 3.15Å; S164-E167 PolarHBondContact O-N 3.15Å; S164-R168 WeakPolarHBondContact O-CB 3.37Å; S164-R168 PolarHBondContact O-N 3.25Å
165E97Very high95Very high95 Ų95103.6 Ų103.644%0.44452%0.518SS..Hα-helixtrans-65.3-41.6176-72.1-176.8-179.600112.6Q161 L162 R163 R168 K169Q161-E165 WeakPolarHBondContact O-CG 3.31Å; Q161-E165 PolarHBondContact O-N 2.75Å; L162-E165 PolarHBondContact O-N 3.42Å; R163-E165 VanDerWaalsContact C-N 3.3Å; R163-E165 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 3.34Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.04Å
166A96.1Very high94.7Very high57 Ų57105 Ų10547%0.47152%0.518SS..Hα-helixtrans-62.6-44.617600000111.5L162 R163 R168 K169 A170L162-A166 PolarHBondContact O-N 2.79Å; L162-A166 VanDerWaalsContact O-N 3.08Å; R163-A166 PolarHBondContact O-N 3.15Å; A166-R168 VanDerWaalsContact C-N 3.35Å; A166-R168 PolarHBondContact O-N 3.37Å; A166-K169 PolarHBondContact O-N 3.01Å; A166-A170 WeakPolarHBondContact O-CB 3.13Å; A166-A170 PolarHBondContact O-N 2.94Å
167E96.2Very high94.2Very high92 Ų92104.9 Ų104.943%0.4351%0.514SS..Hα-helixtrans-61.2-42.9175.9-72.6172.7-172.500111.3R163 S164 K169 A170 Q171R163-E167 WeakPolarHBondContact CG-OE1 3.44Å; R163-E167 IonicContact CZ-OE1 3.78Å; R163-E167 IonicContact NE-OE1 2.75Å; R163-E167 PolarHBondContact NE-OE1 2.86Å; R163-E167 IonicContact NH2-OE1 3.39Å; R163-E167 WeakPolarHBondContact O-CG 3.27Å; R163-E167 PolarHBondContact O-N 3.36Å; S164-E167 PolarHBondContact O-N 3.15Å; E167-K169 PolarHBondContact O-N 3.15Å; E167-A170 PolarHBondContact O-N 2.98Å; E167-Q171 VanDerWaalsContact O-CG 3.31Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 3.39Å
168R96.8Very high93.5Very high172 Ų172105.5 Ų105.565%0.64952%0.516SS*.Hα-helixtrans-62.8-41.7176.5-167.5-178.471.8170.50.3112.4S164 E165 A166 Q171 A172S164-R168 WeakPolarHBondContact O-CB 3.37Å; S164-R168 PolarHBondContact O-N 3.25Å; E165-R168 PolarHBondContact O-N 3.34Å; A166-R168 VanDerWaalsContact C-N 3.35Å; A166-R168 PolarHBondContact O-N 3.37Å; R168-Q171 PolarHBondContact O-N 2.92Å; R168-A172 PolarHBondContact O-N 2.87Å
169K96.9Very high92.6Very high126 Ų126107.3 Ų107.355%0.54852%0.515SS..Hα-helixtrans-63.7-47.7176.6-73.3173.6-174.9174.60111.2E165 A166 E167 Q171 A172 E173E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.04Å; A166-K169 PolarHBondContact O-N 3.01Å; E167-K169 PolarHBondContact O-N 3.15Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.41Å; K169-A172 PolarHBondContact O-N 2.97Å; K169-A172 VanDerWaalsContact O-N 3.13Å; K169-E173 PolarHBondContact O-N 3.15Å
170A94.9Very high91.6Very high43 Ų43104.5 Ų104.536%0.35551%0.508SS..Hα-helixtrans-60.7-39177.600000112.3A166 E167 N174A166-A170 WeakPolarHBondContact O-CB 3.13Å; A166-A170 PolarHBondContact O-N 2.94Å; E167-A170 PolarHBondContact O-N 2.98Å; A170-N174 WeakPolarHBondContact O-CB 3.19Å; A170-N174 PolarHBondContact O-N 3.45Å; A170-N174 PolarHBondContact O-ND2 2.87Å
171Q94.1Very high90.1Very high116 Ų116108 Ų10854%0.54252%0.522SS..Hα-helixtrans-63.7-43.4174.1-75175.9100112.1E167 R168 K169 N174 Q175E167-Q171 VanDerWaalsContact O-CG 3.31Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 3.39Å; R168-Q171 PolarHBondContact O-N 2.92Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 3.41Å; Q171-N174 PolarHBondContact O-N 2.9Å; Q171-Q175 WeakPolarHBondContact O-CB 3.2Å; Q171-Q175 VanDerWaalsContact O-CG 3.29Å; Q171-Q175 WeakPolarHBondContact O-CG 3.44Å; Q171-Q175 PolarHBondContact O-N 3.32Å
172A95.1Very high88.4Confident56 Ų56108.7 Ų108.746%0.46353%0.528SS..Hα-helixtrans-64.1-42178.700000112.1R168 K169 Q175 R176R168-A172 PolarHBondContact O-N 2.87Å; K169-A172 PolarHBondContact O-N 2.97Å; K169-A172 VanDerWaalsContact O-N 3.13Å; A172-Q175 PolarHBondContact O-N 3.32Å; A172-R176 WeakPolarHBondContact O-CB 3.2Å; A172-R176 PolarHBondContact O-N 3.06Å
173E93.5Very high86.7Confident131 Ų131108.6 Ų108.661%0.61253%0.533SS*.Hα-helixtrans-63.3-45.5175.4-73177179.800111.7K169 Q175 R176 L177K169-E173 PolarHBondContact O-N 3.15Å; E173-Q175 PolarHBondContact O-N 3.02Å; E173-R176 WeakPolarHBondContact O-CB 3.33Å; E173-R176 PolarHBondContact O-N 3.06Å; E173-R176 VanDerWaalsContact O-N 3.15Å; E173-L177 WeakPolarHBondContact O-CG 3.35Å; E173-L177 PolarHBondContact O-N 3.12Å
174N87.8Confident85.2Confident98 Ų98103.9 Ų103.952%0.52452%0.519SS..Hα-helixtrans-60.7-44.4175.1-80.3-44.6000112A170 Q171 R176 L177 V178A170-N174 WeakPolarHBondContact O-CB 3.19Å; A170-N174 PolarHBondContact O-N 3.45Å; A170-N174 PolarHBondContact O-ND2 2.87Å; Q171-N174 PolarHBondContact O-N 2.9Å; N174-R176 VanDerWaalsContact C-N 3.26Å; N174-R176 PolarHBondContact O-N 2.87Å; N174-L177 PolarHBondContact O-N 3.37Å; N174-V178 WeakPolarHBondContact O-CB 3.46Å; N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.38Å
175Q89Confident83.8Confident108 Ų108106.9 Ų106.951%0.50553%0.525SS..Hα-helixtrans-61.9-36.9176.1-73.9176.816.500111.9Q171 A172 E173 R179Q171-Q175 WeakPolarHBondContact O-CB 3.2Å; Q171-Q175 VanDerWaalsContact O-CG 3.29Å; Q171-Q175 WeakPolarHBondContact O-CG 3.44Å; Q171-Q175 PolarHBondContact O-N 3.32Å; A172-Q175 PolarHBondContact O-N 3.32Å; E173-Q175 PolarHBondContact O-N 3.02Å; Q175-R179 WeakPolarHBondContact O-CB 3.34Å; Q175-R179 WeakPolarHBondContact O-CG 3.28Å; Q175-R179 PolarHBondContact O-N 3.4Å
176R88.5Confident82.9Confident164 Ų164109 Ų10962%0.61953%0.529SS*.Hα-helixtrans-65.4-50.2175.2-178.1-177.1171.2-177.4-0.9111.4A172 E173 N174 V178 R179 E180A172-R176 WeakPolarHBondContact O-CB 3.2Å; A172-R176 PolarHBondContact O-N 3.06Å; E173-R176 WeakPolarHBondContact O-CB 3.33Å; E173-R176 PolarHBondContact O-N 3.06Å; E173-R176 VanDerWaalsContact O-N 3.15Å; N174-R176 VanDerWaalsContact C-N 3.26Å; N174-R176 PolarHBondContact O-N 2.87Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 3.44Å; R176-R179 WeakPolarHBondContact O-CB 3.41Å; R176-R179 PolarHBondContact O-N 3.06Å; R176-R179 VanDerWaalsContact O-N 3.1Å; R176-E180 HydrophobicContact CG-CG 4.49Å; R176-E180 WeakPolarHBondContact CG-OE1 3.48Å; R176-E180 IonicContact CZ-OE1 3.32Å; R176-E180 IonicContact NE-OE1 3.56Å; R176-E180 PolarHBondContact NE-OE1 2.95Å; R176-E180 IonicContact NH2-OE1 2.8Å; R176-E180 PolarHBondContact NH2-OE1 2.85Å; R176-E180 WeakPolarHBondContact O-CG 3.32Å; R176-E180 PolarHBondContact O-N 2.88Å
177L83.4Confident82.2Confident84 Ų84107.8 Ų107.844%0.4451%0.514SS..Hα-helixtrans-61-41.2177.8-68.2173.9000111.5E173 N174 R179 E180 Q181E173-L177 WeakPolarHBondContact O-CG 3.35Å; E173-L177 PolarHBondContact O-N 3.12Å; N174-L177 PolarHBondContact O-N 3.37Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 3.1Å; L177-E180 PolarHBondContact O-N 3.18Å; L177-Q181 WeakPolarHBondContact O-CB 3.41Å; L177-Q181 VanDerWaalsContact O-CG 3.27Å; L177-Q181 WeakPolarHBondContact O-CG 3.19Å; L177-Q181 PolarHBondContact O-N 3.32Å
178V81.5Confident81.7Confident74 Ų74106.5 Ų106.545%0.44851%0.513SS..Hα-helixtrans-63.8-37.8175.5169.50000111.2N174 R176 N182N174-V178 WeakPolarHBondContact O-CB 3.46Å; N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.38Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 3.44Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.48Å; V178-N182 WeakPolarHBondContact O-CB 3.42Å; V178-N182 PolarHBondContact O-N 2.77Å; V178-N182 PolarHBondContact O-ND2 3.45Å
179R76.1Confident81.2Confident180 Ų180101.5 Ų101.568%0.67950%0.497SS*.Hα-helixtrans-67.4-39.7173.7-73.6169.6-173-1714.1112.3Q175 R176 L177 V183Q175-R179 WeakPolarHBondContact O-CB 3.34Å; Q175-R179 WeakPolarHBondContact O-CG 3.28Å; Q175-R179 PolarHBondContact O-N 3.4Å; R176-R179 WeakPolarHBondContact O-CB 3.41Å; R176-R179 PolarHBondContact O-N 3.06Å; R176-R179 VanDerWaalsContact O-N 3.1Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 3.1Å; R179-V183 WeakPolarHBondContact O-CG2 3.42Å; R179-V183 PolarHBondContact O-N 3.02Å
180E73.6Confident80.9Confident96 Ų96102.1 Ų102.145%0.44950%0.502SS..Hα-helixtrans-69.6-36.1177.3-71.1172.7-179.400111.8R176 L177 V183R176-E180 HydrophobicContact CG-CG 4.49Å; R176-E180 WeakPolarHBondContact CG-OE1 3.48Å; R176-E180 IonicContact CZ-OE1 3.32Å; R176-E180 IonicContact NE-OE1 3.56Å; R176-E180 PolarHBondContact NE-OE1 2.95Å; R176-E180 IonicContact NH2-OE1 2.8Å; R176-E180 PolarHBondContact NH2-OE1 2.85Å; R176-E180 WeakPolarHBondContact O-CG 3.32Å; R176-E180 PolarHBondContact O-N 2.88Å; L177-E180 PolarHBondContact O-N 3.18Å; E180-V183 WeakPolarHBondContact O-CB 3.47Å; E180-V183 WeakPolarHBondContact O-CG2 3.4Å; E180-V183 PolarHBondContact O-N 3.27Å
181Q64.6Low80.6Confident143 Ų143103.8 Ų103.867%0.66851%0.505SS*.Hα-helixtrans-75.6-34.6174.1-72.6178.35.100112.5L177 V183L177-Q181 WeakPolarHBondContact O-CB 3.41Å; L177-Q181 VanDerWaalsContact O-CG 3.27Å; L177-Q181 WeakPolarHBondContact O-CG 3.19Å; L177-Q181 PolarHBondContact O-N 3.32Å; Q181-V183 PolarHBondContact O-N 3.41Å; Q181-V183 VanDerWaalsContact O-N 3.15Å
182N60.2Low80.4Confident97 Ų9799 Ų9952%0.51948%0.482SS..THydrogen-bonded Turntrans-77.817.6172.8-68.9-35.7000112.9V178 L184V178-N182 WeakPolarHBondContact CG1-ND2 3.48Å; V178-N182 WeakPolarHBondContact O-CB 3.42Å; V178-N182 PolarHBondContact O-N 2.77Å; V178-N182 PolarHBondContact O-ND2 3.45Å; N182-L184 PolarHBondContact O-N 3.24Å
183V61Low80.2Confident119 Ų119100.7 Ų100.772%0.72148%0.481SS*.  trans-72.843.7159.3-1700000108.9R179 E180 Q181R179-V183 WeakPolarHBondContact O-CG2 3.42Å; R179-V183 PolarHBondContact O-N 3.02Å; E180-V183 WeakPolarHBondContact O-CB 3.47Å; E180-V183 WeakPolarHBondContact O-CG2 3.4Å; E180-V183 PolarHBondContact O-N 3.27Å; Q181-V183 PolarHBondContact O-N 3.41Å; Q181-V183 VanDerWaalsContact O-N 3.15Å
184L65.4Low80.2Confident58 Ų5897.3 Ų97.330%0.30448%0.475SS..  trans-76.6129.8161.1-59.5-179.1000105.9N182 R186 F250 Y252N182-L184 PolarHBondContact O-N 3.24Å; L184-R186 PolarHBondContact O-N 3.18Å; L184-F250 HydrophobicContact CB-CB 3.81Å; L184-F250 HydrophobicContact CB-CD1 3.96Å; L184-F250 HydrophobicContact CB-CG 4.23Å; L184-F250 HydrophobicContact CD1-CB 3.96Å; L184-F250 HydrophobicContact CD1-CG 4.49Å; L184-Y252 HydrophobicContact CD2-CD2 3.54Å; L184-Y252 HydrophobicContact CD2-CE2 4.18Å
185Q69.1Low80.4Confident136 Ų13695.6 Ų95.664%0.63647%0.468SS*.EExtended strand (participates in β ladder)trans-63.7107.8-179.3-166.9172.5-3.300107.9L187 I251Q185-L187 PolarHBondContact O-N 2.88Å; Q185-I251 PolarHBondContact N-O 3.44Å; Q185-I251 PolarHBondContact O-N 3.49Å
186R77.4Confident80.7Confident140 Ų14091.8 Ų91.853%0.52845%0.451SS..EExtended strand (participates in β ladder)trans-68.2128.4173.4176.6179.8164174.1-2.5107.4L184 T188 T248 F250L184-R186 PolarHBondContact O-N 3.18Å; R186-T188 PolarHBondContact O-N 3.45Å; R186-T248 HydrophobicContact CG-CG2 4.17Å; R186-F250 HydrophobicContact CB-CD1 4.11Å; R186-F250 HydrophobicContact CB-CE1 4.03Å; R186-F250 HydrophobicContact CG-CE1 4.45Å
187L80.7Confident81Confident30 Ų3090.8 Ų90.816%0.15745%0.451CS..PPolyproline II helixtrans-62.4129.2174.8-167.861.6000109.6Q185 D191 H192 F243 I249 I251Q185-L187 PolarHBondContact O-N 2.88Å; L187-D191 HydrophobicContact CD1-CB 3.38Å; L187-D191 HydrophobicContact CG-CB 3.84Å; L187-H192 HydrophobicContact CD2-CB 4.12Å; L187-H192 HydrophobicContact CG-CB 4.47Å; L187-F243 HydrophobicContact CD2-CE1 4.48Å; L187-I249 PolarHBondContact N-O 3.43Å; L187-I251 HydrophobicContact CB-CD1 4.42Å; L187-I251 HydrophobicContact CD1-CD1 3.77Å
188T86.6Confident81.6Confident65 Ų6588.3 Ų88.340%0.39945%0.446SS..PPolyproline II helixtrans-65.9150.8176.6-33.40000109.5R186 E190 D191 H192R186-T188 PolarHBondContact O-N 3.45Å; T188-E190 WeakPolarHBondContact CG2-OE2 3.36Å; T188-E190 PolarHBondContact O-N 2.8Å; T188-D191 WeakPolarHBondContact CB-OD2 3.33Å; T188-D191 PolarHBondContact O-N 3.1Å; T188-D191 PolarHBondContact OG1-OD2 3.3Å; T188-D191 VanDerWaalsContact OG1-OD2 3.09Å; T188-H192 WeakPolarHBondContact O-CB 3.45Å; T188-H192 PolarHBondContact O-N 3.5Å
189E86.1Confident82.3Confident67 Ų6785.8 Ų85.831%0.31343%0.429SS..Hα-helixtrans-61.6-32.1179.5-174.267.9-138.400111.5H192 Q193 K247E189-H192 PolarHBondContact O-N 3.38Å; E189-Q193 WeakPolarHBondContact O-CG 3.39Å; E189-Q193 PolarHBondContact O-N 2.89Å; E189-Q193 PolarHBondContact OE1-NE2 3.32Å; E189-K247 WeakPolarHBondContact OE2-CE 3.26Å
190E89.3Confident83.3Confident140 Ų14081.2 Ų81.265%0.65442%0.415SS*.Hα-helixtrans-62.7-47.5174.4-63.3101.3-146.500112.1T188 H192 Q193 A194T188-E190 WeakPolarHBondContact CG2-OE2 3.36Å; T188-E190 PolarHBondContact O-N 2.8Å; E190-H192 VanDerWaalsContact C-N 3.34Å; E190-H192 PolarHBondContact O-N 2.93Å; E190-Q193 PolarHBondContact O-N 2.95Å; E190-A194 WeakPolarHBondContact O-CB 3.33Å; E190-A194 PolarHBondContact O-N 3.39Å
191D88.6Confident84.4Confident78 Ų7883 Ų8342%0.41742%0.421SS..Hα-helixtrans-65.7-40179.7-60.1-40.5000111.1L187 T188 Q193 A194 V195L187-D191 HydrophobicContact CD1-CB 3.38Å; L187-D191 HydrophobicContact CG-CB 3.84Å; T188-D191 WeakPolarHBondContact CB-OD2 3.33Å; T188-D191 PolarHBondContact O-N 3.1Å; T188-D191 PolarHBondContact OG1-OD2 3.3Å; T188-D191 VanDerWaalsContact OG1-OD2 3.09Å; D191-Q193 PolarHBondContact O-N 3.4Å; D191-A194 PolarHBondContact O-N 3.13Å; D191-V195 VanDerWaalsContact O-CG2 3.3Å; D191-V195 WeakPolarHBondContact O-CG2 3.12Å; D191-V195 PolarHBondContact O-N 3.31Å
192H90.8Very high85.9Confident14 Ų1482.3 Ų82.37%0.06542%0.416CS..Hα-helixtrans-57.5-47.4175-174.2-102.7000111.7L187 T188 E189 E190 V195 L196 F243L187-H192 HydrophobicContact CD2-CB 4.12Å; L187-H192 HydrophobicContact CG-CB 4.47Å; T188-H192 WeakPolarHBondContact O-CB 3.45Å; T188-H192 PolarHBondContact O-N 3.5Å; E189-H192 PolarHBondContact O-N 3.38Å; E190-H192 VanDerWaalsContact C-N 3.34Å; E190-H192 PolarHBondContact O-N 2.93Å; H192-V195 PolarHBondContact O-N 2.86Å; H192-L196 WeakPolarHBondContact O-CB 3.34Å; H192-L196 PolarHBondContact O-N 3.18Å; H192-F243 AromaticContact CD2-CD1 3.61Å; H192-F243 PolarHBondContact CE1-O 3.02Å; H192-F243 AromaticContact NE2-CD1 3.54Å; H192-F243 PolarHBondContact NE2-O 3.49Å; H192-F243 VanDerWaalsContact NE2-O 3.1Å
193Q90.9Very high87.7Confident93 Ų9380.6 Ų80.644%0.43540%0.402SS..Hα-helixtrans-68.9-35.4177.4-69.6178.615.900112.7E189 E190 D191 K197E189-Q193 WeakPolarHBondContact O-CG 3.39Å; E189-Q193 PolarHBondContact O-N 2.89Å; E189-Q193 PolarHBondContact OE1-NE2 3.32Å; E190-Q193 PolarHBondContact O-N 2.95Å; D191-Q193 PolarHBondContact O-N 3.4Å; Q193-K197 WeakPolarHBondContact O-CB 3.27Å; Q193-K197 VanDerWaalsContact O-CG 3.27Å; Q193-K197 WeakPolarHBondContact O-CG 3.49Å; Q193-K197 PolarHBondContact O-N 2.82Å
194A93.6Very high89.4Confident60 Ų6078.9 Ų78.950%0.49639%0.389SS..Hα-helixtrans-63.3-45.9176.100000111.3E190 D191 K197 G198E190-A194 WeakPolarHBondContact O-CB 3.33Å; E190-A194 PolarHBondContact O-N 3.39Å; D191-A194 PolarHBondContact O-N 3.13Å; A194-K197 PolarHBondContact O-N 3.33Å; A194-G198 PolarHBondContact O-N 3.31Å
195V92.8Very high90.8Very high61 Ų6180.6 Ų80.637%0.3740%0.395SS..Hα-helixtrans-60.5-49.3176.2169.30000110.6D191 H192 K197 G198 L199 F243D191-V195 VanDerWaalsContact O-CG2 3.3Å; D191-V195 WeakPolarHBondContact O-CG2 3.12Å; D191-V195 PolarHBondContact O-N 3.31Å; H192-V195 PolarHBondContact O-N 2.86Å; V195-K197 PolarHBondContact O-N 3.39Å; V195-G198 CarbonylContact O-C 3.58Å; V195-G198 WeakPolarHBondContact O-CA 3.49Å; V195-G198 PolarHBondContact O-N 2.95Å; V195-L199 HydrophobicContact CG1-CD1 3.56Å; V195-L199 WeakPolarHBondContact O-CD1 3.44Å; V195-L199 PolarHBondContact O-N 3.38Å; V195-F243 HydrophobicContact CG1-CD1 4.4Å; V195-F243 HydrophobicContact CG1-CE1 4.02Å; V195-F243 HydrophobicContact CG1-CZ 4.09Å
196L94.4Very high92.1Very high29 Ų2975.7 Ų75.715%0.15237%0.373CS..Hα-helixtrans-61.7-41.9-179.3-168.8155.7000112.4H192 G198 L199 K200 E244H192-L196 WeakPolarHBondContact O-CB 3.34Å; H192-L196 PolarHBondContact O-N 3.18Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 2.82Å; L196-L199 PolarHBondContact O-N 3.23Å; L196-K200 HydrophobicContact CD2-CD 3.72Å; L196-K200 HydrophobicContact CD2-CG 4.34Å; L196-K200 WeakPolarHBondContact O-CG 3.38Å; L196-K200 PolarHBondContact O-N 3.29Å; L196-E244 HydrophobicContact CD1-CG 3.76Å
197K95.5Very high93Very high142 Ų14271.5 Ų71.562%0.61736%0.359SS*.Hα-helixtrans-61.5-40.7172.3-74.8172-176.7172.30111.6Q193 A194 V195 K200 K201Q193-K197 WeakPolarHBondContact O-CB 3.27Å; Q193-K197 VanDerWaalsContact O-CG 3.27Å; Q193-K197 WeakPolarHBondContact O-CG 3.49Å; Q193-K197 PolarHBondContact O-N 2.82Å; A194-K197 PolarHBondContact O-N 3.33Å; V195-K197 PolarHBondContact O-N 3.39Å; K197-K200 PolarHBondContact O-N 2.93Å; K197-K201 WeakPolarHBondContact O-CB 3.08Å; K197-K201 PolarHBondContact O-N 2.96Å
198G96.3Very high93.7Very high32 Ų3279 Ų7933%0.3339%0.386SS..Hα-helixtrans-63.2-43.9176.100000113.2A194 V195 L196 K201 K202A194-G198 PolarHBondContact O-N 3.31Å; V195-G198 CarbonylContact O-C 3.58Å; V195-G198 WeakPolarHBondContact O-CA 3.49Å; V195-G198 PolarHBondContact O-N 2.95Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 2.82Å; G198-K201 PolarHBondContact O-N 3.47Å; G198-K202 WeakPolarHBondContact O-CG 3.45Å; G198-K202 PolarHBondContact O-N 3.47Å
199L96.1Very high94.1Very high21 Ų2180.7 Ų80.711%0.1139%0.389CS..Hα-helixtrans-60.9-47.1175.1-83.1138.9000111.8V195 L196 K201 K202 W203 L236 D239 I240 F243V195-L199 HydrophobicContact CG1-CD1 3.56Å; V195-L199 WeakPolarHBondContact O-CD1 3.44Å; V195-L199 PolarHBondContact O-N 3.38Å; L196-L199 PolarHBondContact O-N 3.23Å; L199-K201 PolarHBondContact O-N 3.09Å; L199-K202 PolarHBondContact O-N 2.94Å; L199-W203 PolarHBondContact O-N 3.48Å; L199-L236 HydrophobicContact CD2-CD2 3.84Å; L199-D239 HydrophobicContact CD2-CB 3.66Å; L199-I240 HydrophobicContact CB-CD1 4.24Å; L199-I240 HydrophobicContact CB-CG1 3.71Å; L199-I240 HydrophobicContact CD2-CG1 4.32Å; L199-F243 HydrophobicContact CD1-CD2 4.23Å; L199-F243 HydrophobicContact CD1-CE2 4.48Å
200K96.2Very high94.4Very high85 Ų8580.8 Ų80.837%0.3739%0.387SS..Hα-helixtrans-61.4-43.1177.7-73-177.1178.7179.70112L196 K197 K202 W203 D204 I240 E244L196-K200 HydrophobicContact CD2-CD 3.72Å; L196-K200 HydrophobicContact CD2-CG 4.34Å; L196-K200 WeakPolarHBondContact O-CG 3.38Å; L196-K200 PolarHBondContact O-N 3.29Å; K197-K200 PolarHBondContact O-N 2.93Å; K200-K202 PolarHBondContact O-N 3.2Å; K200-W203 WeakPolarHBondContact O-CB 2.78Å; K200-W203 PolarHBondContact O-N 3.03Å; K200-D204 PolarHBondContact O-N 2.98Å; K200-I240 HydrophobicContact CG-CD1 4.03Å; K200-E244 WeakPolarHBondContact CE-OE1 3.45Å; K200-E244 IonicContact NZ-OE1 3.5Å; K200-E244 PolarHBondContact NZ-OE1 3.41Å
201K97.3Very high94.6Very high132 Ų13280.3 Ų80.357%0.57439%0.385SS*.Hα-helixtrans-61.2-44176.3-172.4-177.8175.2-171.50112.3K197 G198 L199 W203 D204 E205K197-K201 WeakPolarHBondContact O-CB 3.08Å; K197-K201 PolarHBondContact O-N 2.96Å; G198-K201 PolarHBondContact O-N 3.47Å; L199-K201 PolarHBondContact O-N 3.09Å; K201-W203 VanDerWaalsContact C-N 3.31Å; K201-W203 PolarHBondContact O-N 3.29Å; K201-D204 PolarHBondContact O-N 3.48Å; K201-E205 VanDerWaalsContact CE-OE1 3.3Å; K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.04Å
202K96.6Very high94.8Very high130 Ų13079.7 Ų79.757%0.56540%0.397SS*.Hα-helixtrans-63.5-37.4175.7-74.4177.8179.5178.70112.2G198 L199 K200 E205 L206 L236G198-K202 WeakPolarHBondContact O-CG 3.45Å; G198-K202 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 2.94Å; K200-K202 PolarHBondContact O-N 3.2Å; K202-E205 PolarHBondContact O-N 3.4Å; K202-L206 PolarHBondContact O-N 2.87Å; K202-L236 HydrophobicContact CB-CD1 4.2Å
203W96.9Very high94.8Very high61 Ų6180.5 Ų80.523%0.23140%0.402CS..Hα-helixtrans-64.4-44.6174.9-175.397.4000110.9L199 K200 K201 E205 L206 H207 M233 L236 E237 I240L199-W203 PolarHBondContact O-N 3.48Å; K200-W203 WeakPolarHBondContact O-CB 2.78Å; K200-W203 PolarHBondContact O-N 3.03Å; K201-W203 VanDerWaalsContact C-N 3.31Å; K201-W203 PolarHBondContact O-N 3.29Å; W203-E205 VanDerWaalsContact C-N 3.32Å; W203-E205 PolarHBondContact O-N 3.47Å; W203-L206 PolarHBondContact O-N 3.02Å; W203-H207 HydrophobicContact CE3-CB 4.24Å; W203-H207 HydrophobicContact CH2-CB 4.34Å; W203-H207 AromaticContact CH2-CG 3.98Å; W203-H207 HydrophobicContact CZ3-CB 4.11Å; W203-H207 VanDerWaalsContact O-CB 3.25Å; W203-H207 WeakPolarHBondContact O-CB 3.27Å; W203-H207 PolarHBondContact O-N 3.43Å; W203-M233 HydrophobicContact CH2-CE 4.41Å; W203-M233 HydrophobicContact CZ2-CE 3.56Å; W203-L236 HydrophobicContact CB-CB 4.45Å; W203-L236 HydrophobicContact CB-CD1 4.03Å; W203-E237 PolarHBondContact NE1-OE1 3.34Å; W203-E237 VanDerWaalsContact NE1-OE1 3.15Å; W203-I240 HydrophobicContact CB-CD1 4.41Å
204D96.4Very high94.7Very high82 Ų8279.2 Ų79.244%0.43940%0.401SS..Hα-helixtrans-60.3-40.5176.3-70.5-29.2000112.2K200 K201 H207 R208K200-D204 PolarHBondContact O-N 2.98Å; K201-D204 PolarHBondContact O-N 3.48Å; D204-H207 PolarHBondContact O-N 3.41Å; D204-R208 VanDerWaalsContact O-CG 3.26Å; D204-R208 WeakPolarHBondContact O-CG 3.27Å; D204-R208 PolarHBondContact O-N 2.98Å
205E96.3Very high94.4Very high94 Ų9485 Ų8544%0.43942%0.423SS..Hα-helixtrans-62.5-50.5176.4-72.8166.9-173.800111.5K201 K202 W203 H207 R208 E209K201-E205 VanDerWaalsContact CE-OE1 3.3Å; K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 WeakPolarHBondContact O-CG 3.46Å; K201-E205 PolarHBondContact O-N 3.04Å; K202-E205 PolarHBondContact O-N 3.4Å; W203-E205 VanDerWaalsContact C-N 3.32Å; W203-E205 PolarHBondContact O-N 3.47Å; E205-H207 VanDerWaalsContact C-N 3.31Å; E205-H207 PolarHBondContact O-N 3.45Å; E205-R208 WeakPolarHBondContact O-CB 3.46Å; E205-R208 PolarHBondContact O-N 3.05Å; E205-E209 PolarHBondContact O-N 3.49Å; E205-E209 VanDerWaalsContact O-N 3.12Å
206L95.7Very high94.1Very high33 Ų3387.8 Ų87.817%0.17344%0.435CS..Hα-helixtrans-64.7-36.2176.6-73.3179.8000112.6K202 W203 R208 E209 Y210 L229 K232 M233 L236K202-L206 PolarHBondContact O-N 2.87Å; W203-L206 PolarHBondContact O-N 3.02Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-E209 PolarHBondContact O-N 2.92Å; L206-Y210 WeakPolarHBondContact O-CB 3.37Å; L206-Y210 PolarHBondContact O-N 2.93Å; L206-L229 HydrophobicContact CD2-CD2 3.97Å; L206-K232 HydrophobicContact CD1-CB 3.81Å; L206-M233 HydrophobicContact CB-CG 4.24Å; L206-L236 HydrophobicContact CD1-CD1 3.71Å
207H95.4Very high93.8Very high52 Ų5288.2 Ų88.224%0.24144%0.437CS..Hα-helixtrans-65.6-39.1177.2-169.956.2000111.4W203 D204 E205 Y210 Q211 M233W203-H207 HydrophobicContact CE3-CB 4.24Å; W203-H207 HydrophobicContact CH2-CB 4.34Å; W203-H207 AromaticContact CH2-CG 3.98Å; W203-H207 HydrophobicContact CZ3-CB 4.11Å; W203-H207 VanDerWaalsContact O-CB 3.25Å; W203-H207 WeakPolarHBondContact O-CB 3.27Å; W203-H207 PolarHBondContact O-N 3.43Å; D204-H207 PolarHBondContact O-N 3.41Å; E205-H207 VanDerWaalsContact C-N 3.31Å; E205-H207 PolarHBondContact O-N 3.45Å; H207-Y210 PolarHBondContact O-N 3.23Å; H207-Q211 PolarHBondContact CD2-NE2 3.49Å; H207-Q211 PolarHBondContact NE2-NE2 2.99Å; H207-Q211 WeakPolarHBondContact O-CB 3.47Å; H207-Q211 VanDerWaalsContact O-CG 3.27Å; H207-Q211 WeakPolarHBondContact O-CG 3.4Å; H207-Q211 PolarHBondContact O-N 2.96Å; H207-M233 HydrophobicContact CB-CE 4.02Å; H207-M233 HydrophobicContact CB-SD 4.48Å; H207-M233 VanDerWaalsContact ND1-CE 3.27Å; H207-M233 WeakPolarHBondContact ND1-CE 3.43Å
208R96.1Very high93.5Very high189 Ų18987 Ų8771%0.71344%0.437SS*.Hα-helixtrans-61.8-42.4172.1-73.4171.3-177.5-152.91.1112.1D204 E205 L206 Y210 Q211 G212D204-R208 VanDerWaalsContact O-CG 3.26Å; D204-R208 WeakPolarHBondContact O-CG 3.27Å; D204-R208 PolarHBondContact O-N 2.98Å; E205-R208 WeakPolarHBondContact O-CB 3.46Å; E205-R208 PolarHBondContact O-N 3.05Å; L206-R208 VanDerWaalsContact C-N 3.34Å; R208-Y210 VanDerWaalsContact C-N 3.33Å; R208-Y210 PolarHBondContact O-N 3.5Å; R208-Q211 PolarHBondContact O-N 3.5Å; R208-G212 PolarHBondContact O-N 2.9Å
209E94.1Very high93.3Very high100 Ų10088.6 Ų88.647%0.46744%0.441SS..Hα-helixtrans-63.7-38.9175.4-71.5-174-157.100112.5E205 L206 G212 L229E205-E209 PolarHBondContact O-N 3.49Å; E205-E209 VanDerWaalsContact O-N 3.12Å; L206-E209 PolarHBondContact O-N 2.92Å; E209-G212 PolarHBondContact O-N 3.15Å; E209-L229 HydrophobicContact CB-CD2 4.41Å
210Y94.3Very high93.1Very high69 Ų6992.1 Ų92.127%0.27147%0.465SS..Hα-helixtrans-65.5-44.1175179.7-93.8000111.8L206 H207 R208 G212 L213 K226 L229 E230 M233L206-Y210 WeakPolarHBondContact O-CB 3.37Å; L206-Y210 PolarHBondContact O-N 2.93Å; H207-Y210 PolarHBondContact O-N 3.23Å; R208-Y210 VanDerWaalsContact C-N 3.33Å; R208-Y210 PolarHBondContact O-N 3.5Å; Y210-G212 PolarHBondContact O-N 3.09Å; Y210-L213 HydrophobicContact CD2-CD1 3.76Å; Y210-L213 HydrophobicContact CE2-CD1 4.11Å; Y210-L213 HydrophobicContact CG-CD1 4.35Å; Y210-L213 VanDerWaalsContact O-CB 3.28Å; Y210-L213 WeakPolarHBondContact O-CB 3.32Å; Y210-L213 WeakPolarHBondContact O-CD1 3.46Å; Y210-L213 VanDerWaalsContact O-CG 3.28Å; Y210-L213 WeakPolarHBondContact O-CG 3.25Å; Y210-L213 PolarHBondContact O-N 3.34Å; Y210-L213 VanDerWaalsContact O-N 3.13Å; Y210-K226 HydrophobicContact CE2-CD 4.47Å; Y210-K226 HydrophobicContact CE2-CG 3.84Å; Y210-K226 WeakPolarHBondContact OH-CE 3.4Å; Y210-L229 HydrophobicContact CD2-CB 4.14Å; Y210-E230 HydrophobicContact CD2-CG 4.36Å; Y210-E230 HydrophobicContact CE2-CG 3.7Å; Y210-E230 PolarHBondContact OH-OE1 3.16Å; Y210-M233 HydrophobicContact CG-SD 4.36Å
211Q93.4Very high92.8Very high129 Ų12992.5 Ų92.560%0.60348%0.478SS*.Hα-helixtrans-62.8-30.5175.1-73.4178.8-2.300112.6H207 R208 L213H207-Q211 PolarHBondContact CD2-NE2 3.49Å; H207-Q211 PolarHBondContact NE2-NE2 2.99Å; H207-Q211 WeakPolarHBondContact O-CB 3.47Å; H207-Q211 VanDerWaalsContact O-CG 3.27Å; H207-Q211 WeakPolarHBondContact O-CG 3.4Å; H207-Q211 PolarHBondContact O-N 2.96Å; R208-Q211 PolarHBondContact O-N 3.5Å; Q211-L213 PolarHBondContact O-N 3.42Å
212G91.2Very high92.5Very high66 Ų6690.4 Ų90.468%0.6847%0.469SS*.THydrogen-bonded Turntrans-761.4175.700000115R208 E209 Y210R208-G212 PolarHBondContact O-N 2.9Å; E209-G212 PolarHBondContact O-N 3.15Å; Y210-G212 PolarHBondContact O-N 3.09Å
213L91.2Very high92.3Very high31 Ų3189.7 Ų89.716%0.16247%0.466CS..SBendtrans-69.3143177.6-70.9171.4000111.6Y210 Q211 R225 K226 L229Y210-L213 HydrophobicContact CD2-CD1 3.76Å; Y210-L213 HydrophobicContact CE2-CD1 4.11Å; Y210-L213 HydrophobicContact CG-CD1 4.35Å; Y210-L213 VanDerWaalsContact O-CB 3.28Å; Y210-L213 WeakPolarHBondContact O-CB 3.32Å; Y210-L213 WeakPolarHBondContact O-CD1 3.46Å; Y210-L213 VanDerWaalsContact O-CG 3.28Å; Y210-L213 WeakPolarHBondContact O-CG 3.25Å; Y210-L213 PolarHBondContact O-N 3.34Å; Y210-L213 VanDerWaalsContact O-N 3.13Å; Q211-L213 PolarHBondContact O-N 3.42Å; L213-R225 HydrophobicContact CD2-CG 4.43Å; L213-K226 HydrophobicContact CD1-CB 4.11Å; L213-K226 HydrophobicContact CD1-CG 4.15Å; L213-L229 HydrophobicContact CD1-CD1 4.02Å; L213-L229 HydrophobicContact CD2-CD1 4.3Å; L213-L229 HydrophobicContact CG-CD1 4.35Å
214P89.7Confident92.2Very high66 Ų6691.2 Ų91.243%0.42948%0.482SS..  trans-66.2141.9175.627.2-33.3000111.1L216 I217 K222P214-L216 PolarHBondContact O-N 3.47Å; P214-I217 WeakPolarHBondContact O-CG1 3.17Å; P214-K222 HydrophobicContact CG-CD 4.42Å
215L85.9Confident92Very high180 Ų18094.1 Ų94.194%0.94249%0.487SS*.SBendtrans-55.5-34.8178.3-75.7144.6000113.1
216L88.3Confident91.9Very high120 Ų12092.8 Ų92.863%0.62848%0.48SS*.  trans-96.9111.7178.9-63.8175.9000111.3P214P214-L216 PolarHBondContact O-N 3.47Å
217I86.1Confident91.9Very high39 Ų3995.2 Ų95.220%0.249%0.492CS..  trans-11360.9-176.6-48.2-178.6000109.8P214 K222 K223 K226P214-I217 WeakPolarHBondContact O-CG1 3.17Å; I217-K222 VanDerWaalsContact CG2-C 3.45Å; I217-K222 HydrophobicContact CG2-CB 3.6Å; I217-K223 HydrophobicContact CG2-CB 4.24Å; I217-K223 HydrophobicContact CG2-CG 3.57Å; I217-K223 WeakPolarHBondContact O-CE 3.44Å; I217-K226 HydrophobicContact CD1-CB 4.46Å; I217-K226 HydrophobicContact CD1-CD 3.57Å; I217-K226 HydrophobicContact CD1-CG 4.47Å
218D89.3Confident91.9Very high116 Ų11695 Ų9562%0.6250%0.496SS*.  trans-84.5-33.2-172.4-55.8-40.2000112.8
219T93.7Very high91.9Very high66 Ų6686.4 Ų86.441%0.40546%0.464SS..SBendtrans-81.4141.6179.841.80000112.3S221 K222 K223T219-S221 VanDerWaalsContact C-N 3.26Å; T219-S221 PolarHBondContact O-N 3.21Å; T219-K222 WeakPolarHBondContact O-CB 3.37Å; T219-K222 PolarHBondContact O-N 3.42Å; T219-K222 WeakPolarHBondContact OG1-CD 3.45Å; T219-K222 WeakPolarHBondContact OG1-CE 3.42Å; T219-K222 WeakPolarHBondContact OG1-CG 3.45Å; T219-K223 PolarHBondContact O-N 2.99Å
220P92.1Very high91.9Very high94 Ų9485.2 Ų85.261%0.6146%0.459SS*.Hα-helixtrans-57.8-38-178.322.5-33000112.3K222 K223 T224P220-K222 VanDerWaalsContact C-N 3.31Å; P220-K222 PolarHBondContact O-N 2.97Å; P220-K223 WeakPolarHBondContact O-CB 3.27Å; P220-K223 PolarHBondContact O-N 3.11Å; P220-K223 VanDerWaalsContact O-N 3.11Å; P220-T224 PolarHBondContact O-N 3.21Å; P220-T224 PolarHBondContact O-OG1 2.89Å; P220-T224 VanDerWaalsContact O-OG1 3.1Å
221S89.6Confident92Very high93 Ų9387.3 Ų87.365%0.6547%0.471SS*.Hα-helixtrans-61.5-36176.7-45.80000113.3T219 R225T219-S221 VanDerWaalsContact C-N 3.26Å; T219-S221 PolarHBondContact O-N 3.21Å; S221-R225 WeakPolarHBondContact O-CB 3.48Å; S221-R225 PolarHBondContact O-N 3.2Å
222K90.3Very high92.1Very high89 Ų8985.8 Ų85.839%0.38746%0.462SS..Hα-helixtrans-69.8-37.1175.6-67.8177.5-175.5176.90111P214 I217 T219 P220 R225 K226P214-K222 HydrophobicContact CG-CD 4.42Å; I217-K222 VanDerWaalsContact CG2-C 3.45Å; I217-K222 HydrophobicContact CG2-CB 3.6Å; T219-K222 WeakPolarHBondContact O-CB 3.37Å; T219-K222 PolarHBondContact O-N 3.42Å; T219-K222 WeakPolarHBondContact OG1-CD 3.45Å; T219-K222 WeakPolarHBondContact OG1-CE 3.42Å; T219-K222 WeakPolarHBondContact OG1-CG 3.45Å; P220-K222 VanDerWaalsContact C-N 3.31Å; P220-K222 PolarHBondContact O-N 2.97Å; K222-R225 PolarHBondContact O-N 3.35Å; K222-K226 PolarHBondContact O-N 3.1Å
223K92.6Very high92.4Very high114 Ų11483.6 Ų83.650%0.49643%0.434SS..Hα-helixtrans-64.2-47.3174.5-64.2-178.2-179.2177.80111.3I217 T219 P220 R225 K226 I227I217-K223 HydrophobicContact CG2-CB 4.24Å; I217-K223 HydrophobicContact CG2-CG 3.57Å; I217-K223 WeakPolarHBondContact O-CE 3.44Å; T219-K223 PolarHBondContact O-N 2.99Å; P220-K223 WeakPolarHBondContact O-CB 3.27Å; P220-K223 PolarHBondContact O-N 3.11Å; P220-K223 VanDerWaalsContact O-N 3.11Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.37Å; K223-K226 WeakPolarHBondContact O-CB 3.41Å; K223-K226 PolarHBondContact O-N 3.47Å; K223-I227 WeakPolarHBondContact O-CG1 3.05Å; K223-I227 PolarHBondContact O-N 2.93Å
224T93.9Very high92.7Very high93 Ų9384.2 Ų84.257%0.57144%0.441SS*.Hα-helixtrans-60.4-42176.5-52.50000111.7P220 K226 I227 C228P220-T224 PolarHBondContact O-N 3.21Å; P220-T224 PolarHBondContact O-OG1 2.89Å; P220-T224 VanDerWaalsContact O-OG1 3.1Å; T224-K226 VanDerWaalsContact C-N 3.35Å; T224-K226 PolarHBondContact O-N 3.36Å; T224-I227 PolarHBondContact O-N 3.18Å; T224-C228 WeakPolarHBondContact O-CB 3.47Å; T224-C228 PolarHBondContact O-N 3.33Å
225R93.6Very high93Very high144 Ų14486.4 Ų86.454%0.54345%0.446SS..Hα-helixtrans-60.1-44.2175.8-178178.5176.3-174.4-2.1111.9L213 S221 K222 K223 C228 L229L213-R225 HydrophobicContact CD2-CG 4.43Å; S221-R225 WeakPolarHBondContact O-CB 3.48Å; S221-R225 PolarHBondContact O-N 3.2Å; K222-R225 PolarHBondContact O-N 3.35Å; K223-R225 VanDerWaalsContact C-N 3.32Å; K223-R225 PolarHBondContact O-N 3.37Å; R225-C228 PolarHBondContact O-N 3.13Å; R225-L229 HydrophobicContact CG-CD1 4.32Å; R225-L229 WeakPolarHBondContact O-CG 3.44Å; R225-L229 PolarHBondContact O-N 3Å; R225-L229 VanDerWaalsContact O-N 3.11Å
226K94.2Very high93.5Very high65 Ų6579 Ų7928%0.28341%0.407SS..Hα-helixtrans-59.6-51.7176.2-179.5-177.91631770111.2Y210 L213 I217 K222 K223 T224 C228 L229 E230Y210-K226 HydrophobicContact CE2-CD 4.47Å; Y210-K226 HydrophobicContact CE2-CG 3.84Å; Y210-K226 WeakPolarHBondContact OH-CE 3.4Å; L213-K226 HydrophobicContact CD1-CB 4.11Å; L213-K226 HydrophobicContact CD1-CG 4.15Å; I217-K226 HydrophobicContact CD1-CB 4.46Å; I217-K226 HydrophobicContact CD1-CD 3.57Å; I217-K226 HydrophobicContact CD1-CG 4.47Å; K222-K226 PolarHBondContact O-N 3.1Å; K223-K226 WeakPolarHBondContact O-CB 3.41Å; K223-K226 PolarHBondContact O-N 3.47Å; T224-K226 VanDerWaalsContact C-N 3.35Å; T224-K226 PolarHBondContact O-N 3.36Å; K226-C228 VanDerWaalsContact C-N 3.31Å; K226-C228 PolarHBondContact O-N 3.34Å; K226-L229 WeakPolarHBondContact O-CB 3.3Å; K226-L229 PolarHBondContact O-N 3.38Å; K226-L229 VanDerWaalsContact O-N 3.1Å; K226-E230 WeakPolarHBondContact CE-OE1 3.16Å; K226-E230 HydrophobicContact CG-CG 4.48Å; K226-E230 IonicContact NZ-OE1 2.78Å; K226-E230 WeakPolarHBondContact O-CG 3.28Å; K226-E230 PolarHBondContact O-N 3.5Å
227I94.9Very high93.8Very high84 Ų8477.7 Ų77.743%0.43140%0.398SS..Hα-helixtrans-58.5-44.4-179.6-66.9164.5000110.8K223 T224 L229 E230 E231K223-I227 WeakPolarHBondContact O-CG1 3.05Å; K223-I227 PolarHBondContact O-N 2.93Å; T224-I227 PolarHBondContact O-N 3.18Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.85Å; I227-E230 PolarHBondContact O-N 3.29Å; I227-E231 HydrophobicContact CG2-CG 4.33Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 3.27Å
228C95.2Very high94.3Very high48 Ų4882.4 Ų82.432%0.32442%0.417SS..Hα-helixtrans-61.7-37.3177.9-175.20000112.6T224 R225 K226 K232T224-C228 WeakPolarHBondContact O-CB 3.47Å; T224-C228 PolarHBondContact O-N 3.33Å; R225-C228 PolarHBondContact O-N 3.13Å; K226-C228 VanDerWaalsContact C-N 3.31Å; K226-C228 PolarHBondContact O-N 3.34Å; C228-K232 WeakPolarHBondContact O-CB 3.35Å; C228-K232 VanDerWaalsContact O-CG 3.24Å; C228-K232 WeakPolarHBondContact O-CG 3.47Å; C228-K232 PolarHBondContact O-N 3.36Å; C228-K232 VanDerWaalsContact O-N 3.16Å; C228-K232 VanDerWaalsContact SG-CE 3.54Å
229L95.3Very high94.6Very high8 Ų880.5 Ų80.54%0.04241%0.407CS..Hα-helixtrans-68.3-43174.9-72.5169000111.5L206 E209 Y210 L213 R225 K226 I227 K232 M233L206-L229 HydrophobicContact CD2-CD2 3.97Å; E209-L229 HydrophobicContact CB-CD2 4.41Å; Y210-L229 HydrophobicContact CD2-CB 4.14Å; L213-L229 HydrophobicContact CD1-CD1 4.02Å; L213-L229 HydrophobicContact CD2-CD1 4.3Å; L213-L229 HydrophobicContact CG-CD1 4.35Å; R225-L229 HydrophobicContact CG-CD1 4.32Å; R225-L229 WeakPolarHBondContact O-CG 3.44Å; R225-L229 PolarHBondContact O-N 3Å; R225-L229 VanDerWaalsContact O-N 3.11Å; K226-L229 WeakPolarHBondContact O-CB 3.3Å; K226-L229 PolarHBondContact O-N 3.38Å; K226-L229 VanDerWaalsContact O-N 3.1Å; I227-L229 VanDerWaalsContact C-N 3.3Å; I227-L229 PolarHBondContact O-N 2.85Å; L229-K232 PolarHBondContact O-N 2.89Å; L229-M233 WeakPolarHBondContact O-CB 3.37Å; L229-M233 WeakPolarHBondContact O-CG 3.49Å; L229-M233 PolarHBondContact O-N 3.12Å
230E95.2Very high94.7Very high76 Ų7678.3 Ų78.336%0.35539%0.392SS..Hα-helixtrans-62.8-43.1177.1-69.6173.9155.800112.1Y210 K226 I227 M233 S234Y210-E230 HydrophobicContact CD2-CG 4.36Å; Y210-E230 HydrophobicContact CE2-CG 3.7Å; Y210-E230 PolarHBondContact OH-OE1 3.16Å; K226-E230 WeakPolarHBondContact CE-OE1 3.16Å; K226-E230 HydrophobicContact CG-CG 4.48Å; K226-E230 IonicContact NZ-OE1 2.78Å; K226-E230 WeakPolarHBondContact O-CG 3.28Å; K226-E230 PolarHBondContact O-N 3.5Å; I227-E230 PolarHBondContact O-N 3.29Å; E230-M233 PolarHBondContact O-N 2.98Å; E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.4Å
231E96.9Very high94.8Very high113 Ų11375.4 Ų75.453%0.52837%0.374SS..Hα-helixtrans-62.2-46176.7-74.6174.8173.300111.7I227 S234 Q235I227-E231 HydrophobicContact CG2-CG 4.33Å; I227-E231 WeakPolarHBondContact O-CG 3.45Å; I227-E231 PolarHBondContact O-N 3.27Å; E231-S234 PolarHBondContact O-N 3.27Å; E231-Q235 WeakPolarHBondContact O-CG 3.49Å; E231-Q235 PolarHBondContact O-N 3.46Å
232K96Very high95Very high97 Ų9775.6 Ų75.642%0.42236%0.364SS..Hα-helixtrans-63.8-41177.1-73172.2179.1175.80112L206 C228 L229 Q235 L236L206-K232 HydrophobicContact CD1-CB 3.81Å; C228-K232 WeakPolarHBondContact O-CB 3.35Å; C228-K232 VanDerWaalsContact O-CG 3.24Å; C228-K232 WeakPolarHBondContact O-CG 3.47Å; C228-K232 PolarHBondContact O-N 3.36Å; C228-K232 VanDerWaalsContact O-N 3.16Å; C228-K232 VanDerWaalsContact SG-CE 3.54Å; L229-K232 PolarHBondContact O-N 2.89Å; K232-Q235 PolarHBondContact O-N 3.06Å; K232-L236 WeakPolarHBondContact O-CG 3.48Å; K232-L236 PolarHBondContact O-N 3.05Å; K232-L236 VanDerWaalsContact O-N 3.09Å
233M95.8Very high95Very high19 Ų1973.5 Ų73.59%0.09435%0.354CS..Hα-helixtrans-62.2-45.5174.4-77.7-177.368.500111.5W203 L206 H207 Y210 L229 E230 Q235 L236 E237W203-M233 HydrophobicContact CH2-CE 4.41Å; W203-M233 HydrophobicContact CZ2-CE 3.56Å; L206-M233 HydrophobicContact CB-CG 4.24Å; H207-M233 HydrophobicContact CB-CE 4.02Å; H207-M233 HydrophobicContact CB-SD 4.48Å; H207-M233 VanDerWaalsContact ND1-CE 3.27Å; H207-M233 WeakPolarHBondContact ND1-CE 3.43Å; Y210-M233 HydrophobicContact CG-SD 4.36Å; L229-M233 WeakPolarHBondContact O-CB 3.37Å; L229-M233 WeakPolarHBondContact O-CG 3.49Å; L229-M233 PolarHBondContact O-N 3.12Å; E230-M233 PolarHBondContact O-N 2.98Å; M233-Q235 VanDerWaalsContact C-N 3.31Å; M233-Q235 PolarHBondContact O-N 3.02Å; M233-L236 PolarHBondContact O-N 3.23Å; M233-E237 WeakPolarHBondContact O-CG 3.36Å; M233-E237 PolarHBondContact O-N 3.11Å
234S97.2Very high94.9Very high44 Ų4473.4 Ų73.431%0.30836%0.356SS..Hα-helixtrans-63.4-35.4178.2-173.80000112.7E230 E231 K238E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.4Å; E231-S234 PolarHBondContact O-N 3.27Å; S234-K238 VanDerWaalsContact O-CG 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.41Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.13Å
235Q96.3Very high94.8Very high113 Ų11378.2 Ų78.253%0.52836%0.363SS..Hα-helixtrans-62.9-50.2172.9-73.9170.7-0.400111.1E231 K232 M233 E237 K238 D239E231-Q235 WeakPolarHBondContact O-CG 3.49Å; E231-Q235 PolarHBondContact O-N 3.46Å; K232-Q235 PolarHBondContact O-N 3.06Å; M233-Q235 VanDerWaalsContact C-N 3.31Å; M233-Q235 PolarHBondContact O-N 3.02Å; Q235-E237 VanDerWaalsContact C-N 3.28Å; Q235-E237 PolarHBondContact O-N 3.06Å; Q235-K238 WeakPolarHBondContact O-CB 3.43Å; Q235-K238 PolarHBondContact O-N 3.01Å; Q235-K238 VanDerWaalsContact O-N 3.12Å; Q235-D239 VanDerWaalsContact O-CG 3.29Å; Q235-D239 PolarHBondContact O-N 3.44Å
236L96.4Very high94.6Very high23 Ų2376.3 Ų76.312%0.1236%0.359CS..Hα-helixtrans-60.9-36.3178-69.4176.4000112.6L199 K202 W203 L206 K232 M233 D239 I240L199-L236 HydrophobicContact CD2-CD2 3.84Å; K202-L236 HydrophobicContact CB-CD1 4.2Å; W203-L236 HydrophobicContact CB-CB 4.45Å; W203-L236 HydrophobicContact CB-CD1 4.03Å; L206-L236 HydrophobicContact CD1-CD1 3.71Å; K232-L236 WeakPolarHBondContact O-CG 3.48Å; K232-L236 PolarHBondContact O-N 3.05Å; K232-L236 VanDerWaalsContact O-N 3.09Å; M233-L236 PolarHBondContact O-N 3.23Å; L236-D239 PolarHBondContact O-N 3.22Å; L236-I240 WeakPolarHBondContact O-CB 3.24Å; L236-I240 WeakPolarHBondContact O-CD1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.02Å
237E96.1Very high94Very high94 Ų9480 Ų8044%0.43938%0.376SS..Hα-helixtrans-64.5-41.1175.1-74.9168.8-170.700112.5W203 M233 Q235 S241W203-E237 PolarHBondContact NE1-OE1 3.34Å; W203-E237 VanDerWaalsContact NE1-OE1 3.15Å; M233-E237 WeakPolarHBondContact O-CG 3.36Å; M233-E237 PolarHBondContact O-N 3.11Å; Q235-E237 VanDerWaalsContact C-N 3.28Å; Q235-E237 PolarHBondContact O-N 3.06Å; E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.17Å; E237-S241 PolarHBondContact O-N 3.45Å
238K96.6Very high93.4Very high137 Ų13779.1 Ų79.160%0.59637%0.374SS*.Hα-helixtrans-64.3-43.5174.7-70.8168.3-172.9171.60110.9S234 Q235 S241 F242S234-K238 VanDerWaalsContact O-CG 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.41Å; S234-K238 PolarHBondContact O-N 3.43Å; S234-K238 VanDerWaalsContact O-N 3.13Å; Q235-K238 WeakPolarHBondContact O-CB 3.43Å; Q235-K238 PolarHBondContact O-N 3.01Å; Q235-K238 VanDerWaalsContact O-N 3.12Å; K238-S241 PolarHBondContact O-N 3.1Å; K238-F242 WeakPolarHBondContact O-CB 3.3Å; K238-F242 PolarHBondContact O-N 2.91Å
239D94.9Very high92.9Very high76 Ų7678.1 Ų78.141%0.40637%0.365SS..Hα-helixtrans-65-48.1178.9-65.2-16.3000110.8L199 Q235 L236 S241 F242 F243L199-D239 HydrophobicContact CD2-CB 3.66Å; Q235-D239 VanDerWaalsContact O-CG 3.29Å; Q235-D239 PolarHBondContact O-N 3.44Å; L236-D239 PolarHBondContact O-N 3.22Å; D239-S241 VanDerWaalsContact C-N 3.32Å; D239-S241 PolarHBondContact O-N 3.05Å; D239-F242 WeakPolarHBondContact O-CB 3.21Å; D239-F242 PolarHBondContact O-N 3.06Å; D239-F243 WeakPolarHBondContact O-CD2 3.49Å; D239-F243 PolarHBondContact O-N 3.34Å
240I95Very high92.3Very high20 Ų2083.1 Ų83.110%0.10339%0.387CS..Hα-helixtrans-58.1-46.4175-68.8163.7000110.3L199 K200 W203 L236 F242 F243 E244L199-I240 HydrophobicContact CB-CD1 4.24Å; L199-I240 HydrophobicContact CB-CG1 3.71Å; L199-I240 HydrophobicContact CD2-CG1 4.32Å; K200-I240 HydrophobicContact CG-CD1 4.03Å; W203-I240 HydrophobicContact CB-CD1 4.41Å; L236-I240 WeakPolarHBondContact O-CB 3.24Å; L236-I240 WeakPolarHBondContact O-CD1 3.26Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.02Å; I240-F242 PolarHBondContact O-N 3.46Å; I240-F243 PolarHBondContact O-N 3.02Å; I240-E244 HydrophobicContact CG2-CG 4.26Å; I240-E244 WeakPolarHBondContact O-CB 3.43Å; I240-E244 WeakPolarHBondContact O-CG 3.43Å; I240-E244 PolarHBondContact O-N 2.92Å
241S95.4Very high91.7Very high34 Ų3482.8 Ų82.824%0.23839%0.387CS..Hα-helixtrans-63.1-31.6177.4178.50000112.5E237 K238 D239 R245E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.17Å; E237-S241 PolarHBondContact O-N 3.45Å; K238-S241 PolarHBondContact O-N 3.1Å; D239-S241 VanDerWaalsContact C-N 3.32Å; D239-S241 PolarHBondContact O-N 3.05Å; S241-R245 WeakPolarHBondContact O-CB 3.37Å; S241-R245 WeakPolarHBondContact O-CD 3.38Å; S241-R245 WeakPolarHBondContact O-CG 3.4Å; S241-R245 PolarHBondContact O-N 3.47Å; S241-R245 VanDerWaalsContact O-N 3.15Å; S241-R245 PolarHBondContact OG-NE 2.9Å; S241-R245 PolarHBondContact OG-NH2 3Å
242F93.4Very high90.8Very high97 Ų9785.3 Ų85.343%0.42539%0.392SS..Hα-helixtrans-66.7-52.2176.1176.7-92.6000110.2K238 D239 I240 E244 R245 F246 I249K238-F242 WeakPolarHBondContact O-CB 3.3Å; K238-F242 PolarHBondContact O-N 2.91Å; D239-F242 WeakPolarHBondContact O-CB 3.21Å; D239-F242 PolarHBondContact O-N 3.06Å; I240-F242 PolarHBondContact O-N 3.46Å; F242-E244 VanDerWaalsContact C-N 3.34Å; F242-E244 PolarHBondContact O-N 3.23Å; F242-R245 PolarHBondContact O-N 3.41Å; F242-F246 HydrophobicContact CD1-CD2 4.39Å; F242-F246 AromaticContact CD2-CD2 3.55Å; F242-F246 HydrophobicContact CD2-CD2 3.55Å; F242-F246 AromaticContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CD2-CE2 3.5Å; F242-F246 VanDerWaalsContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CE1-CD2 4.36Å; F242-F246 AromaticContact CE2-CD2 3.5Å; F242-F246 HydrophobicContact CE2-CD2 3.5Å; F242-F246 VanDerWaalsContact CE2-CD2 3.5Å; F242-F246 AromaticContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CE2-CE2 3.49Å; F242-F246 VanDerWaalsContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CG-CD2 4.01Å; F242-F246 HydrophobicContact CG-CE2 4.34Å; F242-F246 AromaticContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CE2 4.33Å; F242-F246 WeakPolarHBondContact O-CD2 3.32Å; F242-F246 PolarHBondContact O-N 3.09Å; F242-I249 HydrophobicContact CE1-CD1 4.12Å
243F90.8Very high89.3Confident44 Ų4486.7 Ų86.719%0.19341%0.405CS..Hα-helixtrans-64.7-33.7178.4-80.2-90.6000112.8L187 H192 V195 L199 D239 I240 I249L187-F243 HydrophobicContact CD2-CE1 4.48Å; H192-F243 AromaticContact CD2-CD1 3.61Å; H192-F243 PolarHBondContact CE1-O 3.02Å; H192-F243 AromaticContact NE2-CD1 3.54Å; H192-F243 PolarHBondContact NE2-O 3.49Å; H192-F243 VanDerWaalsContact NE2-O 3.1Å; V195-F243 HydrophobicContact CG1-CD1 4.4Å; V195-F243 HydrophobicContact CG1-CE1 4.02Å; V195-F243 HydrophobicContact CG1-CZ 4.09Å; L199-F243 HydrophobicContact CD1-CD2 4.23Å; L199-F243 HydrophobicContact CD1-CE2 4.48Å; D239-F243 WeakPolarHBondContact O-CD2 3.49Å; D239-F243 PolarHBondContact O-N 3.34Å; I240-F243 PolarHBondContact O-N 3.02Å; F243-I249 HydrophobicContact CD1-CD1 3.34Å; F243-I249 HydrophobicContact CE1-CD1 3.41Å; F243-I249 VanDerWaalsContact CE1-CD1 3.41Å; F243-I249 HydrophobicContact CG-CD1 4.1Å; F243-I249 HydrophobicContact CZ-CD1 4.22Å
244E90.4Very high87.3Confident112 Ų11296 Ų9652%0.52346%0.455SS..Hα-helixtrans-71.8-32.3175.8-74.7-177.7170.700113.2L196 K200 I240 F242L196-E244 HydrophobicContact CD1-CG 3.76Å; K200-E244 WeakPolarHBondContact CE-OE1 3.45Å; K200-E244 IonicContact NZ-OE1 3.5Å; K200-E244 PolarHBondContact NZ-OE1 3.41Å; I240-E244 HydrophobicContact CG2-CG 4.26Å; I240-E244 WeakPolarHBondContact O-CB 3.43Å; I240-E244 WeakPolarHBondContact O-CG 3.43Å; I240-E244 PolarHBondContact O-N 2.92Å; F242-E244 VanDerWaalsContact C-N 3.34Å; F242-E244 PolarHBondContact O-N 3.23Å
245R92.3Very high86.8Confident194 Ų19498.6 Ų98.673%0.73246%0.462SS*.Hα-helixtrans-76.8-36.2178.1-74.2173-169.4-1687.4112.5S241 F242S241-R245 WeakPolarHBondContact O-CB 3.37Å; S241-R245 WeakPolarHBondContact O-CD 3.38Å; S241-R245 WeakPolarHBondContact O-CG 3.4Å; S241-R245 PolarHBondContact O-N 3.47Å; S241-R245 VanDerWaalsContact O-N 3.15Å; S241-R245 PolarHBondContact OG-NE 2.9Å; S241-R245 PolarHBondContact OG-NH2 3Å; F242-R245 PolarHBondContact O-N 3.41Å
246F88.4Confident86.3Confident104 Ų10497.8 Ų97.846%0.45646%0.459SS..  trans-108.599.7-173.3-60.8-67000111.9F242 T248 I249F242-F246 HydrophobicContact CD1-CD2 4.39Å; F242-F246 AromaticContact CD2-CD2 3.55Å; F242-F246 HydrophobicContact CD2-CD2 3.55Å; F242-F246 AromaticContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CD2-CE2 3.5Å; F242-F246 VanDerWaalsContact CD2-CE2 3.5Å; F242-F246 HydrophobicContact CE1-CD2 4.36Å; F242-F246 AromaticContact CE2-CD2 3.5Å; F242-F246 HydrophobicContact CE2-CD2 3.5Å; F242-F246 VanDerWaalsContact CE2-CD2 3.5Å; F242-F246 AromaticContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CE2-CE2 3.49Å; F242-F246 VanDerWaalsContact CE2-CE2 3.49Å; F242-F246 HydrophobicContact CG-CD2 4.01Å; F242-F246 HydrophobicContact CG-CE2 4.34Å; F242-F246 AromaticContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CD2 3.92Å; F242-F246 HydrophobicContact CZ-CE2 4.33Å; F242-F246 WeakPolarHBondContact O-CD2 3.32Å; F242-F246 PolarHBondContact O-N 3.09Å; F246-T248 VanDerWaalsContact C-N 3.3Å; F246-T248 PolarHBondContact O-N 2.96Å; F246-I249 HydrophobicContact CB-CG1 4.24Å
247K81.9Confident85.7Confident144 Ų144102 Ų10263%0.62648%0.477SS*.SBendtrans-70.4-23.1177.8-172.9168.4-175.8173.20114.3E189E189-K247 WeakPolarHBondContact OE2-CE 3.26Å
248T81.9Confident85.1Confident64 Ų64102.5 Ų102.539%0.39348%0.48SS..  trans-120.3109.8-179.7-51.80000108.5R186 F246 F250R186-T248 HydrophobicContact CG-CG2 4.17Å; F246-T248 VanDerWaalsContact C-N 3.3Å; F246-T248 PolarHBondContact O-N 2.96Å; T248-F250 HydrophobicContact CG2-CE1 4.43Å; T248-F250 HydrophobicContact CG2-CE2 3.79Å; T248-F250 HydrophobicContact CG2-CZ 3.74Å
249I85.3Confident84.4Confident27 Ų27100.3 Ų100.314%0.13847%0.472CS..  trans-117.6133.4177.5-58.1173.1000107.7L187 F242 F243 F246L187-I249 PolarHBondContact N-O 3.43Å; F242-I249 HydrophobicContact CE1-CD1 4.12Å; F243-I249 HydrophobicContact CD1-CD1 3.34Å; F243-I249 HydrophobicContact CE1-CD1 3.41Å; F243-I249 VanDerWaalsContact CE1-CD1 3.41Å; F243-I249 HydrophobicContact CG-CD1 4.1Å; F243-I249 HydrophobicContact CZ-CD1 4.22Å; F246-I249 HydrophobicContact CB-CG1 4.24Å
250F82.9Confident83.7Confident113 Ų113101.9 Ų101.950%0.49648%0.477SS..EExtended strand (participates in β ladder)trans-105.2130.4176.5-64.6-78.5000108.5L184 R186 T248L184-F250 HydrophobicContact CB-CB 3.81Å; L184-F250 HydrophobicContact CB-CD1 3.96Å; L184-F250 HydrophobicContact CB-CG 4.23Å; L184-F250 HydrophobicContact CD1-CB 3.96Å; L184-F250 HydrophobicContact CD1-CG 4.49Å; R186-F250 HydrophobicContact CB-CD1 4.11Å; R186-F250 HydrophobicContact CB-CE1 4.03Å; R186-F250 HydrophobicContact CG-CE1 4.45Å; T248-F250 HydrophobicContact CG2-CE1 4.43Å; T248-F250 HydrophobicContact CG2-CE2 3.79Å; T248-F250 HydrophobicContact CG2-CZ 3.74Å
251I81.6Confident82.9Confident69 Ų69107.8 Ų107.835%0.35450%0.503SS..EExtended strand (participates in β ladder)trans-96.9133175.9-62.2173.3000108Q185 L187Q185-I251 PolarHBondContact N-O 3.44Å; Q185-I251 PolarHBondContact O-N 3.49Å; L187-I251 HydrophobicContact CB-CD1 4.42Å; L187-I251 HydrophobicContact CD1-CD1 3.77Å
252Y77.8Confident81.9Confident166 Ų166113.5 Ų113.565%0.65152%0.524SS*.  trans-102.6118.7168.5-167.5-92.5000106.8L184 D254L184-Y252 HydrophobicContact CD2-CD2 3.54Å; L184-Y252 HydrophobicContact CD2-CE2 4.18Å; Y252-D254 HydrophobicContact CD1-CB 4.48Å; Y252-D254 WeakPolarHBondContact CE1-OD1 3.38Å
253D65.8Low81Confident127 Ų127114.8 Ų114.868%0.67953%0.532SS*.  trans-83.1115.1169.8-77.2-19.5000107.6
254D53Low80.1Confident214 Ų214121.3 Ų121.3100%1.14456%0.563SS**  trans-97.50167.3-113.8-14.2000109.7Y252Y252-D254 HydrophobicContact CD1-CB 4.48Å; Y252-D254 WeakPolarHBondContact CE1-OD1 3.38Å

Retrieved 254 of 254 residues in 114.4 ms (Link to these results)