A0A096N2X1_PAPAN Loading...

Eukaryotic translation initiation factor 4H

Stimulates the RNA helicase activity of EIF4A in the translation initiation complex. Binds weakly mRNA.

AlphaFold DB (A0A2K6E8A3), UniProt , Accession A0A096N2X1, Species PAPAN (Papio anubis, Olive baboon), Gene EIF4H, Length 248 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
1M45.2Very low47.3Very low240 Ų240155.5 Ų155.5100%1.18281%0.808SS**  0102.20-126.792.5172.800106.2
2A47.5Very low47.4Very low94 Ų94155.9 Ų155.978%0.77779%0.793SS**  trans-137.6106.917200000105.3F4A2-F4 PolarHBondContact O-N 3.3Å
3D38.4Very low47.3Very low155 Ų155153.4 Ų153.483%0.82980%0.798SS**  trans-58.8121.6-177.8-62.4-97.9000110.6
4F47.3Very low47.8Very low211 Ų211150 Ų15093%0.92579%0.794SS**  trans-87.1117.7173-120.8-94.3000108.3A2A2-F4 PolarHBondContact O-N 3.3Å
5D45.8Very low47.3Very low143 Ų143149.6 Ų149.677%0.76578%0.783SS**  trans-31.6126.1171.8-98.7-109.3000115.2Y7D5-Y7 PolarHBondContact O-N 3.33Å
6T51.8Low46.8Very low132 Ų132145 Ų14581%0.8178%0.783SS**  trans-54.497.6160.9-600000110.2D8T6-D8 PolarHBondContact O-N 3.13Å
7Y43.6Very low46.4Very low205 Ų205141 Ų14180%0.80478%0.784SS**  trans-68.5107163.9-121.6-102.9000108.7D5 D9D5-Y7 PolarHBondContact O-N 3.33Å; Y7-D9 PolarHBondContact O-N 3.32Å; Y7-D9 VanDerWaalsContact O-N 3.13Å
8D46.3Very low45.9Very low98 Ų98137.5 Ų137.552%0.52479%0.785SS.*  trans-74.590.1169.9-173.1-103000108.5T6 R10T6-D8 PolarHBondContact O-N 3.13Å; D8-R10 PolarHBondContact O-N 3.06Å; D8-R10 WeakPolarHBondContact OD1-CB 3.24Å; D8-R10 IonicContact OD2-CZ 3.46Å; D8-R10 IonicContact OD2-NH1 3.95Å; D8-R10 PolarHBondContact OD2-NH1 2.92Å
9D46.9Very low46Very low136 Ų136143.4 Ų143.473%0.72779%0.793SS**  trans-74.836.2175.9-112.4-77.3000112.6Y7Y7-D9 PolarHBondContact O-N 3.32Å; Y7-D9 VanDerWaalsContact O-N 3.13Å
10R56.3Low45.6Very low202 Ų202139.1 Ų139.176%0.76278%0.783SS**  trans-918.1178.7-70.2-161.9179105.9-7.8114.8D8D8-R10 PolarHBondContact O-N 3.06Å; D8-R10 WeakPolarHBondContact OD1-CB 3.24Å; D8-R10 IonicContact OD2-CZ 3.46Å; D8-R10 IonicContact OD2-NH1 3.95Å; D8-R10 PolarHBondContact OD2-NH1 2.92Å
11A51.7Low45.7Very low95 Ų95138.2 Ų138.279%0.78579%0.786SS**SBendtrans-109.926.5-172.300000115.9
12Y47.6Very low45.7Very low160 Ų160138.4 Ų138.463%0.62777%0.773SS**  trans-132.78.7171.2-151.5-99.1000116S14 F15Y12-S14 PolarHBondContact O-N 3.31Å; Y12-F15 HydrophobicContact CD2-CE1 4.37Å; Y12-F15 HydrophobicContact CD2-CZ 4.09Å; Y12-F15 AromaticContact CE1-CE2 3.74Å; Y12-F15 HydrophobicContact CE1-CE2 3.74Å; Y12-F15 AromaticContact CE1-CZ 3.8Å; Y12-F15 HydrophobicContact CE1-CZ 3.8Å; Y12-F15 AromaticContact CE2-CE1 3.91Å; Y12-F15 HydrophobicContact CE2-CE1 3.91Å; Y12-F15 AromaticContact CE2-CE2 4Å; Y12-F15 HydrophobicContact CE2-CE2 4Å; Y12-F15 AromaticContact CE2-CZ 3.23Å; Y12-F15 HydrophobicContact CE2-CZ 3.23Å; Y12-F15 AromaticContact CZ-CE2 3.32Å; Y12-F15 AromaticContact CZ-CZ 3.08Å; Y12-F15 WeakPolarHBondContact OH-CE2 3.38Å; Y12-F15 WeakPolarHBondContact OH-CZ 3.5Å
13S46.3Very low45.3Very low123 Ų123136.8 Ų136.886%0.8677%0.766SS**  trans-86.553.1173.3-56.60000111.6
14S54.6Low45.6Very low106 Ų106135.2 Ų135.274%0.74177%0.767SS**SBendtrans-146.133.7176.5-157.10000114.2Y12Y12-S14 PolarHBondContact O-N 3.31Å
15F39.9Very low45.5Very low144 Ų144129.8 Ų129.863%0.63276%0.761SS**SBendtrans-173.1130.4153.847-90.6000109.3Y12Y12-F15 HydrophobicContact CD2-CE1 4.37Å; Y12-F15 HydrophobicContact CD2-CZ 4.09Å; Y12-F15 AromaticContact CE1-CE2 3.74Å; Y12-F15 HydrophobicContact CE1-CE2 3.74Å; Y12-F15 AromaticContact CE1-CZ 3.8Å; Y12-F15 HydrophobicContact CE1-CZ 3.8Å; Y12-F15 AromaticContact CE2-CE1 3.91Å; Y12-F15 HydrophobicContact CE2-CE1 3.91Å; Y12-F15 AromaticContact CE2-CE2 4Å; Y12-F15 HydrophobicContact CE2-CE2 4Å; Y12-F15 AromaticContact CE2-CZ 3.23Å; Y12-F15 HydrophobicContact CE2-CZ 3.23Å; Y12-F15 AromaticContact CZ-CE2 3.32Å; Y12-F15 AromaticContact CZ-CZ 3.08Å; Y12-F15 WeakPolarHBondContact OH-CE2 3.38Å; Y12-F15 WeakPolarHBondContact OH-CZ 3.5Å
16G38.9Very low45.4Very low76 Ų76124.9 Ų124.978%0.78475%0.745SS**  trans113.471.6-178.600000110.7G18G16-G18 PolarHBondContact O-N 3.12Å; G16-G18 VanDerWaalsContact O-N 3.11Å
17G40.9Very low44.8Very low77 Ų77122 Ų12279%0.79474%0.741SS**  trans-46120.8171.300000110.1R19G17-R19 PolarHBondContact O-N 2.83Å
18G37.3Very low45Very low78 Ų78121 Ų12180%0.80474%0.744SS**  trans-49113.7165.100000107.1G16 G20G16-G18 PolarHBondContact O-N 3.12Å; G16-G18 VanDerWaalsContact O-N 3.11Å; G18-G20 PolarHBondContact O-N 3.47Å
19R47.5Very low44.9Very low250 Ų250119.2 Ų119.294%0.94375%0.748SS**  trans-62.880154.4-75.9-173.5-177.5177.61.7104.8G17 S21G17-R19 PolarHBondContact O-N 2.83Å; R19-S21 PolarHBondContact O-N 3.34Å; R19-S21 VanDerWaalsContact O-N 3.12Å
20G37.4Very low45.2Very low56 Ų56118.3 Ų118.358%0.57775%0.753SS**  trans-46.1124.3155.400000104.8G18 R22G18-G20 PolarHBondContact O-N 3.47Å; G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 3.1Å
21S48.4Very low45Very low121 Ų121113 Ų11385%0.84673%0.732SS**  trans-37.2108.8161.7-68.30000105.6R19 G23R19-S21 PolarHBondContact O-N 3.34Å; R19-S21 VanDerWaalsContact O-N 3.12Å; S21-G23 PolarHBondContact O-N 2.99Å
22R45.5Very low45.1Very low244 Ų244113.2 Ų113.292%0.92173%0.728SS**  trans-63.687.5164.6-71.3-178.9-174.6165.10.6102.3G20 S24G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 3.1Å; R22-S24 PolarHBondContact O-N 3.14Å
23G38.9Very low45.3Very low60 Ų60114 Ų11462%0.61974%0.737SS**  trans-42.5119.6157.300000103.2S21 A25S21-G23 PolarHBondContact O-N 2.99Å; G23-A25 PolarHBondContact O-N 2.68Å
24S45.1Very low45.7Very low122 Ų122114.2 Ų114.285%0.85372%0.723SS**  trans-60.978.6163.8-167.20000104.9R22 G26R22-S24 PolarHBondContact O-N 3.14Å; S24-G26 PolarHBondContact O-N 3.24Å
25A44.9Very low45.8Very low97 Ų97118 Ų11880%0.80273%0.729SS**  trans-68.966.815300000104.1G23 G27G23-A25 PolarHBondContact O-N 2.68Å; A25-G27 PolarHBondContact O-N 3.33Å
26G42.9Very low46.6Very low41 Ų41113.9 Ų113.942%0.42371%0.713SS.*  trans-57100.715400000103.3S24 H28S24-G26 PolarHBondContact O-N 3.24Å; G26-H28 PolarHBondContact O-CD2 3.06Å; G26-H28 PolarHBondContact O-N 3.12Å
27G40.5Very low47.4Very low72 Ų72111 Ų11174%0.74268%0.681SS**  trans-51.7102.7160.200000105.1A25 G29A25-G27 PolarHBondContact O-N 3.33Å; G27-G29 PolarHBondContact O-N 3.28Å
28H47.2Very low48.1Very low184 Ų184113.6 Ų113.685%0.85268%0.681SS**  trans-62.278.1151.6-67.2-88.7000103.7G26 S30G26-H28 PolarHBondContact O-CD2 3.06Å; G26-H28 PolarHBondContact O-N 3.12Å; H28-S30 PolarHBondContact O-N 3.35Å
29G44.4Very low49Very low60 Ų60115.5 Ų115.562%0.61967%0.669SS**  trans-50118.2164.800000103.6G27 R31G27-G29 PolarHBondContact O-N 3.28Å; G29-R31 WeakPolarHBondContact O-CA 3.42Å; G29-R31 PolarHBondContact O-N 2.98Å
30S53.9Low49.7Very low117 Ų117108.1 Ų108.182%0.81865%0.654SS**  trans-46.196.2-178.6-52.10000106.8H28 S32H28-S30 PolarHBondContact O-N 3.35Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 3.06Å
31R51.8Low51Low89 Ų89107.7 Ų107.734%0.33664%0.641SS.*  trans-66.9107.7-174.6-178.3177.6-173.4170.8-7.1101.8G29 Q33 D102 V113 D114G29-R31 WeakPolarHBondContact O-CA 3.42Å; G29-R31 PolarHBondContact O-N 2.98Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.41Å; R31-D102 IonicContact CZ-OD1 3.99Å; R31-D102 IonicContact CZ-OD2 2.71Å; R31-D102 IonicContact NH1-OD1 3.31Å; R31-D102 PolarHBondContact NH1-OD1 3.15Å; R31-D102 IonicContact NH1-OD2 3.28Å; R31-D102 PolarHBondContact NH1-OD2 3.22Å; R31-D102 IonicContact NH2-OD2 3.04Å; R31-V113 VanDerWaalsContact CZ-O 3.27Å; R31-V113 PolarHBondContact NH1-O 2.83Å; R31-V113 PolarHBondContact NH2-O 2.74Å; R31-D114 IonicContact CZ-OD2 3.73Å; R31-D114 VanDerWaalsContact CZ-OD2 3.28Å; R31-D114 IonicContact NE-OD2 3.92Å; R31-D114 PolarHBondContact NE-OD2 2.81Å; R31-D114 VanDerWaalsContact NH2-CG 3.34Å; R31-D114 IonicContact NH2-OD2 2.76Å; R31-D114 PolarHBondContact NH2-OD2 3.13Å
32S53.1Low52.4Low100 Ų100103.3 Ų103.370%0.69961%0.606SS**  trans-49.9105.1177.8-520000105.6S30 K34S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 3.06Å; S32-K34 PolarHBondContact O-N 3.17Å
33Q52.2Low54.2Low176 Ų17692.4 Ų92.482%0.82257%0.566SS**  trans-56.299.9163.5-91.5-176.7-2200102.8R31 E35R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.41Å; Q33-E35 PolarHBondContact O-N 3.36Å
34K55.3Low56.4Low129 Ų12989.6 Ų89.656%0.56154%0.537SS*.PPolyproline II helixtrans-60130.5170.7-78.2177.4-179.81680105.1S32 L36 I115S32-K34 PolarHBondContact O-N 3.17Å; K34-L36 PolarHBondContact O-N 3.35Å; K34-I115 HydrophobicContact CB-CD1 4.32Å; K34-I115 WeakPolarHBondContact O-CD1 3.45Å
35E55.5Low58.4Low186 Ų18686.6 Ų86.687%0.86951%0.508SS*.PPolyproline II helixtrans-59.9139.8179.3-60-171.2108.100108.5Q33Q33-E35 PolarHBondContact O-N 3.36Å
36L56.1Low60.4Low56 Ų5682 Ų8229%0.29347%0.47SS..PPolyproline II helixtrans-57.4124.4-174.5-60.1155.1000108.2K34 T38 V92 L95 K96 L99 I115K34-L36 PolarHBondContact O-N 3.35Å; L36-T38 PolarHBondContact O-N 3.14Å; L36-V92 HydrophobicContact CB-CG2 4.04Å; L36-V92 HydrophobicContact CD1-CG2 4.09Å; L36-V92 HydrophobicContact CD2-CG2 4.33Å; L36-V92 HydrophobicContact CG-CG2 4.38Å; L36-L95 HydrophobicContact CD2-CD2 3.58Å; L36-L95 HydrophobicContact CD2-CG 4.2Å; L36-K96 HydrophobicContact CD1-CD 3.95Å; L36-K96 HydrophobicContact CD1-CG 3.67Å; L36-K96 HydrophobicContact CD2-CG 3.68Å; L36-K96 HydrophobicContact CG-CG 4.33Å; L36-L99 HydrophobicContact CD2-CD1 4.36Å; L36-I115 HydrophobicContact CD2-CD1 4.27Å
37P56.2Low62.5Low15 Ų1580 Ų8010%0.09745%0.45CS..PPolyproline II helixtrans-61.5124.1177.822.7-31.1000109.1E39 Y42 L95 I115P37-E39 PolarHBondContact O-N 3.16Å; P37-Y42 HydrophobicContact CG-CD1 4.41Å; P37-Y42 WeakPolarHBondContact O-CE1 3.26Å; P37-L95 HydrophobicContact CG-CD2 4.46Å; P37-I115 HydrophobicContact CG-CG2 4.28Å
38T56.8Low64.7Low132 Ų13280.3 Ų80.381%0.8143%0.434SS*.SBendtrans-73.4-7.3-175.4-45.60000113.3L36L36-T38 PolarHBondContact O-N 3.14Å
39E55.4Low66.4Low119 Ų11971.7 Ų71.756%0.55639%0.394SS*.SBendtrans-118.8135.1-177.5-59.9-177.5131.300111.3P37 K120P37-E39 PolarHBondContact O-N 3.16Å; E39-K120 WeakPolarHBondContact OE2-CE 3.47Å; E39-K120 IonicContact OE2-NZ 2.71Å; E39-K120 PolarHBondContact OE2-NZ 3.17Å
40P61.8Low68.2Low94 Ų9470.6 Ų70.661%0.6138%0.376SS*.SBendtrans-63.5141.6171.327.2-33.4000109.9Y42P40-Y42 HydrophobicContact CB-CE2 4.33Å
41P66Low69.5Low47 Ų4771.6 Ų71.631%0.30537%0.366SS..  cis-95.1128.418.832.5-31.9000115.2T43 E88P41-T43 PolarHBondContact O-N 3.29Å; P41-T43 PolarHBondContact O-OG1 3.03Å; P41-E88 HydrophobicContact CB-CG 3.9Å
42Y77.6Confident70.8Confident30 Ų3074.4 Ų74.412%0.11839%0.388CS..EExtended strand (participates in β ladder)trans-73.297.2172.2-55.7-78.2000109.4P37 P40 F89 D90 V92 L95P37-Y42 HydrophobicContact CG-CD1 4.41Å; P37-Y42 WeakPolarHBondContact O-CE1 3.26Å; P40-Y42 HydrophobicContact CB-CE2 4.33Å; Y42-F89 PolarHBondContact O-N 3.44Å; Y42-D90 WeakPolarHBondContact CE2-O 3.34Å; Y42-V92 HydrophobicContact CD1-CB 4.22Å; Y42-V92 HydrophobicContact CD1-CG2 4.35Å; Y42-V92 HydrophobicContact CE1-CB 3.64Å; Y42-V92 HydrophobicContact CE1-CG2 3.85Å; Y42-V92 HydrophobicContact CE2-CB 4.43Å; Y42-L95 HydrophobicContact CD1-CD2 4.2Å
43T83Confident72.1Confident15 Ų1570.1 Ų70.19%0.09236%0.358CS..EExtended strand (participates in β ladder)trans-102.2133179.3-43.80000110P41 Y86 V87 A116P41-T43 PolarHBondContact O-N 3.29Å; P41-T43 PolarHBondContact O-OG1 3.03Å; T43-Y86 HydrophobicContact CG2-CD1 4.32Å; T43-V87 CarbonylContact C-O 3.49Å; T43-V87 WeakPolarHBondContact CA-O 3.27Å; T43-A116 CarbonylContact C-O 3.51Å; T43-A116 VanDerWaalsContact CB-O 3.27Å; T43-A116 WeakPolarHBondContact CB-O 3.41Å; T43-A116 HydrophobicContact CG2-CB 4.03Å; T43-A116 CarbonylContact O-C 3.58Å; T43-A116 WeakPolarHBondContact O-CA 3.41Å; T43-A116 PolarHBondContact O-N 2.73Å
44A84.9Confident73.5Confident1 Ų166 Ų661%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-106141.8164.500000110.1Y86 V87 F89 L95 V113 D114A44-Y86 CarbonylContact O-C 3.45Å; A44-Y86 WeakPolarHBondContact O-CA 3.49Å; A44-V87 PolarHBondContact N-O 2.92Å; A44-V87 PolarHBondContact O-N 2.9Å; A44-F89 HydrophobicContact CB-CD2 4.36Å; A44-F89 HydrophobicContact CB-CE2 3.62Å; A44-L95 HydrophobicContact CB-CD1 4.12Å; A44-V113 HydrophobicContact CB-CG1 4.29Å; A44-D114 CarbonylContact C-O 3.51Å; A44-D114 WeakPolarHBondContact CA-O 3.43Å
45Y87.5Confident74.8Confident58 Ų5864.7 Ų64.723%0.22734%0.34CS..EExtended strand (participates in β ladder)trans-91.5125.9164.2169.6-96.5000108.6F84 Y86 V113 D114Y45-F84 HydrophobicContact CE2-CB 3.59Å; Y45-F84 AromaticContact CE2-CD2 3.83Å; Y45-F84 HydrophobicContact CE2-CD2 3.83Å; Y45-F84 AromaticContact CE2-CG 3.87Å; Y45-F84 HydrophobicContact CE2-CG 3.87Å; Y45-Y86 HydrophobicContact CD2-CD1 4.27Å; Y45-Y86 AromaticContact CD2-CE1 3.71Å; Y45-Y86 HydrophobicContact CD2-CE1 3.71Å; Y45-Y86 AromaticContact CD2-CZ 3.98Å; Y45-Y86 HydrophobicContact CG-CE1 4.47Å; Y45-V113 CarbonylContact O-C 3.56Å; Y45-V113 VanDerWaalsContact O-CA 3.31Å; Y45-V113 WeakPolarHBondContact O-CA 3.3Å; Y45-D114 HydrophobicContact CD1-CB 4.08Å; Y45-D114 PolarHBondContact N-O 2.83Å; Y45-D114 PolarHBondContact O-N 2.79Å
46V86.8Confident76.1Confident1 Ų158 Ų581%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-118.1118.1172.8-173.50000107.9L49 F62 F84 C85 V87 R112 V113V46-L49 HydrophobicContact CB-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD1 4.01Å; V46-L49 HydrophobicContact CG1-CD2 4.19Å; V46-L49 HydrophobicContact CG1-CG 4.18Å; V46-F62 HydrophobicContact CG1-CE2 4.37Å; V46-F62 HydrophobicContact CG1-CZ 4.23Å; V46-F62 HydrophobicContact CG2-CE2 3.89Å; V46-F62 HydrophobicContact CG2-CZ 3.69Å; V46-F84 CarbonylContact O-C 3.51Å; V46-F84 WeakPolarHBondContact O-CA 3.31Å; V46-F84 WeakPolarHBondContact O-CB 3.11Å; V46-C85 PolarHBondContact N-O 3.28Å; V46-C85 PolarHBondContact O-N 2.96Å; V46-V87 HydrophobicContact CG2-CG2 4.24Å; V46-R112 CarbonylContact C-O 3.59Å; V46-R112 WeakPolarHBondContact CA-O 3.18Å; V46-V113 HydrophobicContact CG1-CG2 4.35Å; V46-V113 HydrophobicContact CG2-CG1 4.35Å; V46-V113 HydrophobicContact CG2-CG2 4.4Å
47G86.7Confident77.3Confident0 Ų058.8 Ų58.80%033%0.325CS..EExtended strand (participates in β ladder)trans-124173.7-176.400000113.2L49 R112G47-L49 PolarHBondContact O-N 3.03Å; G47-R112 PolarHBondContact N-O 3.3Å; G47-R112 PolarHBondContact O-N 3.39Å
48N86.1Confident78.6Confident78 Ų7858.1 Ų58.142%0.41732%0.321SS..SBendtrans62.529.6-175-15846.3000114G83 S110N48-G83 PolarHBondContact N-O 3.43Å; N48-S110 VanDerWaalsContact CB-O 3.3Å; N48-S110 WeakPolarHBondContact CB-O 3.49Å; N48-S110 PolarHBondContact ND2-O 2.85Å
49L83.9Confident79.8Confident3 Ų356 Ų562%0.01630%0.304CS..  trans-76.5147176.1-69.2166000111V46 G47 T53 I58 F81 G83 C85 L111V46-L49 HydrophobicContact CB-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD1 4.01Å; V46-L49 HydrophobicContact CG1-CD2 4.19Å; V46-L49 HydrophobicContact CG1-CG 4.18Å; G47-L49 PolarHBondContact O-N 3.03Å; L49-T53 HydrophobicContact CB-CG2 4.46Å; L49-T53 HydrophobicContact CD1-CG2 4.34Å; L49-T53 HydrophobicContact CD2-CG2 4.3Å; L49-I58 HydrophobicContact CD1-CD1 4.47Å; L49-F81 HydrophobicContact CB-CE1 3.9Å; L49-F81 HydrophobicContact CD1-CE1 4.34Å; L49-F81 HydrophobicContact CD1-CZ 4.31Å; L49-G83 PolarHBondContact N-O 3.2Å; L49-G83 WeakPolarHBondContact O-CA 3.38Å; L49-C85 HydrophobicContact CD1-CB 4.38Å; L49-C85 VanDerWaalsContact CD1-SG 3.53Å; L49-L111 HydrophobicContact CD2-CD2 3.47Å; L49-L111 VanDerWaalsContact CD2-CD2 3.47Å; L49-L111 HydrophobicContact CG-CD2 4.43Å
50P81.5Confident81.1Confident37 Ų3753.1 Ų53.124%0.2430%0.301CS..  trans-61.6152.1172.318.4-22.7000112N52 T53 L106P50-N52 PolarHBondContact O-N 3.22Å; P50-N52 VanDerWaalsContact O-N 3.15Å; P50-T53 WeakPolarHBondContact CD-OG1 3.39Å; P50-T53 WeakPolarHBondContact CG-OG1 3.49Å; P50-T53 VanDerWaalsContact O-CB 3.31Å; P50-T53 WeakPolarHBondContact O-CB 3.32Å; P50-T53 PolarHBondContact O-N 2.75Å; P50-T53 PolarHBondContact O-OG1 2.69Å; P50-T53 VanDerWaalsContact O-OG1 3.09Å; P50-L106 HydrophobicContact CG-CD2 3.78Å
51F81.1Confident81.9Confident138 Ų13851.1 Ų51.161%0.60529%0.285SS*.THydrogen-bonded Turntrans-66.2-16.7-179-58-62.5000113.6F81F51-F81 WeakPolarHBondContact CD1-O 3.13Å
52N79.6Confident82.5Confident147 Ų14749 Ų4979%0.78627%0.271SS*.THydrogen-bonded Turntrans-91.11.4176.6-16254.6000113.1P50 V54P50-N52 PolarHBondContact O-N 3.22Å; P50-N52 VanDerWaalsContact O-N 3.15Å; N52-V54 PolarHBondContact O-N 2.68Å
53T79.9Confident82.4Confident11 Ų1154.9 Ų54.97%0.06730%0.297CS..  trans-67.4121.8178-64.40000110.2L49 P50 D57 I58L49-T53 HydrophobicContact CB-CG2 4.46Å; L49-T53 HydrophobicContact CD1-CG2 4.34Å; L49-T53 HydrophobicContact CD2-CG2 4.3Å; P50-T53 WeakPolarHBondContact CD-OG1 3.39Å; P50-T53 WeakPolarHBondContact CG-OG1 3.49Å; P50-T53 VanDerWaalsContact O-CB 3.31Å; P50-T53 WeakPolarHBondContact O-CB 3.32Å; P50-T53 PolarHBondContact O-N 2.75Å; P50-T53 PolarHBondContact O-OG1 2.69Å; P50-T53 VanDerWaalsContact O-OG1 3.09Å; T53-D57 HydrophobicContact CG2-CB 4.09Å; T53-I58 HydrophobicContact CG2-CD1 4.02Å; T53-I58 HydrophobicContact CG2-CG1 3.75Å
54V81.9Confident82.1Confident88 Ų8860.2 Ų60.253%0.53333%0.325SS..  trans-101.2171.5171-650000111N52 G56 D57 I58N52-V54 PolarHBondContact O-N 2.68Å; V54-G56 PolarHBondContact O-N 2.75Å; V54-D57 WeakPolarHBondContact CG2-OD2 3.35Å; V54-D57 PolarHBondContact N-OD2 3.38Å; V54-D57 PolarHBondContact O-N 2.92Å; V54-D57 VanDerWaalsContact O-N 3.13Å; V54-I58 PolarHBondContact O-N 3.45Å
55Q82.3Confident81.8Confident103 Ų10360.9 Ų60.948%0.48133%0.328SS..Hα-helixtrans-54.9-36.6176-164.9166.3-5.500112.2D57 I58 D59 I70 L72Q55-D57 VanDerWaalsContact C-N 3.35Å; Q55-D57 PolarHBondContact O-N 2.86Å; Q55-I58 PolarHBondContact O-N 2.76Å; Q55-D59 WeakPolarHBondContact O-CB 3.18Å; Q55-D59 PolarHBondContact O-N 3.3Å; Q55-I70 HydrophobicContact CG-CB 4.11Å; Q55-I70 HydrophobicContact CG-CD1 3.8Å; Q55-I70 HydrophobicContact CG-CG2 4.14Å; Q55-L72 HydrophobicContact CB-CD1 3.75Å; Q55-L72 HydrophobicContact CG-CD1 4.26Å
56G82.6Confident81.4Confident45 Ų4561.3 Ų61.346%0.46434%0.34SS..Hα-helixtrans-65.7-31.517900000114.3V54 A60V54-G56 PolarHBondContact O-N 2.75Å; G56-A60 WeakPolarHBondContact O-CB 3.47Å; G56-A60 PolarHBondContact O-N 3.22Å
57D82.8Confident81.2Confident72 Ų7263.3 Ų63.339%0.38535%0.35SS..Hα-helixtrans-70.3-40.9175.3-63.4-70000110.9T53 V54 Q55 D59 A60 I61T53-D57 HydrophobicContact CG2-CB 4.09Å; V54-D57 WeakPolarHBondContact CG2-OD2 3.35Å; V54-D57 PolarHBondContact N-OD2 3.38Å; V54-D57 PolarHBondContact O-N 2.92Å; V54-D57 VanDerWaalsContact O-N 3.13Å; Q55-D57 VanDerWaalsContact C-N 3.35Å; Q55-D57 PolarHBondContact O-N 2.86Å; D57-D59 VanDerWaalsContact C-N 3.33Å; D57-A60 PolarHBondContact O-N 3.31Å; D57-I61 WeakPolarHBondContact O-CD1 3.03Å; D57-I61 WeakPolarHBondContact O-CG1 3.27Å; D57-I61 PolarHBondContact O-N 3.46Å
58I81.9Confident81.1Confident1 Ų171 Ų711%0.00538%0.379CS..Hα-helixtrans-64-44.3176.5-63.5160.7000109.3L49 T53 V54 Q55 A60 I61 F62 I70 L72 C85 V87L49-I58 HydrophobicContact CD1-CD1 4.47Å; T53-I58 HydrophobicContact CG2-CD1 4.02Å; T53-I58 HydrophobicContact CG2-CG1 3.75Å; V54-I58 PolarHBondContact O-N 3.45Å; Q55-I58 PolarHBondContact O-N 2.76Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.04Å; I58-I61 PolarHBondContact O-N 2.9Å; I58-F62 HydrophobicContact CG2-CD2 3.6Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-F62 WeakPolarHBondContact O-CB 3.14Å; I58-F62 WeakPolarHBondContact O-CD2 3.35Å; I58-F62 PolarHBondContact O-N 3.17Å; I58-I70 HydrophobicContact CD1-CG2 4.22Å; I58-I70 HydrophobicContact CG2-CD1 4.22Å; I58-I70 HydrophobicContact CG2-CG2 4.19Å; I58-L72 HydrophobicContact CD1-CD2 3.46Å; I58-L72 VanDerWaalsContact CD1-CD2 3.46Å; I58-L72 HydrophobicContact CD1-CG 4.25Å; I58-C85 HydrophobicContact CD1-CB 3.89Å; I58-C85 VanDerWaalsContact CD1-SG 3.56Å; I58-V87 HydrophobicContact CG2-CG2 3.9Å
59D83.1Confident80.9Confident88 Ų8870 Ų7047%0.47138%0.379SS..Hα-helixtrans-59.2-43.5174.7-166.7-101.7000111.5Q55 D57 I61 F62 K63Q55-D59 WeakPolarHBondContact O-CB 3.18Å; Q55-D59 PolarHBondContact O-N 3.3Å; D57-D59 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 2.8Å; D59-F62 CarbonylContact O-C 3.39Å; D59-F62 PolarHBondContact O-N 2.91Å; D59-K63 WeakPolarHBondContact O-CA 3.19Å; D59-K63 VanDerWaalsContact O-CB 3.3Å; D59-K63 WeakPolarHBondContact O-CB 3.46Å; D59-K63 PolarHBondContact O-N 3.2Å
60A82.7Confident81Confident59 Ų5970.9 Ų70.949%0.48838%0.383SS..Hα-helixtrans-66-36.2177.600000113.6G56 D57 I58 K63G56-A60 WeakPolarHBondContact O-CB 3.47Å; G56-A60 PolarHBondContact O-N 3.22Å; D57-A60 PolarHBondContact O-N 3.31Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.04Å; A60-K63 WeakPolarHBondContact O-CG 3.4Å
61I78.3Confident81.3Confident52 Ų5277.5 Ų77.527%0.26740%0.403SS..Hα-helixtrans-70.8-41.8177-66.5159.9000110.5D57 I58 D59 L106D57-I61 WeakPolarHBondContact O-CD1 3.03Å; D57-I61 WeakPolarHBondContact O-CG1 3.27Å; D57-I61 PolarHBondContact O-N 3.46Å; I58-I61 PolarHBondContact O-N 2.9Å; D59-I61 PolarHBondContact O-N 2.8Å; I61-L106 HydrophobicContact CD1-CD1 3.62Å; I61-L106 HydrophobicContact CG1-CD1 4.31Å
62F77.6Confident81.5Confident2 Ų273.2 Ų73.21%0.00939%0.386CS..SBendtrans-102.721.9-176-60.6-66.3000112.8V46 I58 D59 D64 L65 I67 A98V46-F62 HydrophobicContact CG1-CE2 4.37Å; V46-F62 HydrophobicContact CG1-CZ 4.23Å; V46-F62 HydrophobicContact CG2-CE2 3.89Å; V46-F62 HydrophobicContact CG2-CZ 3.69Å; I58-F62 HydrophobicContact CG2-CD2 3.6Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-F62 WeakPolarHBondContact O-CB 3.14Å; I58-F62 WeakPolarHBondContact O-CD2 3.35Å; I58-F62 PolarHBondContact O-N 3.17Å; D59-F62 CarbonylContact O-C 3.39Å; D59-F62 PolarHBondContact O-N 2.91Å; F62-D64 PolarHBondContact O-N 2.77Å; F62-L65 HydrophobicContact CB-CD1 4.21Å; F62-L65 HydrophobicContact CB-CG 4.47Å; F62-L65 HydrophobicContact CD1-CD1 3.56Å; F62-L65 HydrophobicContact CE1-CD1 4.41Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L65 WeakPolarHBondContact O-CA 3.16Å; F62-L65 WeakPolarHBondContact O-CB 3.4Å; F62-L65 PolarHBondContact O-N 2.78Å; F62-I67 HydrophobicContact CB-CD1 3.69Å; F62-I67 HydrophobicContact CB-CG1 4.29Å; F62-A98 HydrophobicContact CE1-CB 4.29Å
63K77.3Confident81.8Confident154 Ų15467.8 Ų67.867%0.6736%0.358SS*.THydrogen-bonded Turntrans-62-26.5-176.867.4178.8-178.4173.30113.8D59 A60D59-K63 WeakPolarHBondContact O-CA 3.19Å; D59-K63 VanDerWaalsContact O-CB 3.3Å; D59-K63 WeakPolarHBondContact O-CB 3.46Å; D59-K63 PolarHBondContact O-N 3.2Å; A60-K63 WeakPolarHBondContact O-CG 3.4Å
64D76.1Confident82.2Confident127 Ų12774 Ų7468%0.67938%0.381SS*.THydrogen-bonded Turntrans-77.2-12.4177.5-112.1-100.9000111.5F62F62-D64 PolarHBondContact O-N 2.77Å
65L79Confident82.3Confident14 Ų1472.2 Ų72.27%0.07337%0.368CS..SBendtrans-106.5148.7-174.2-48.6-175.3000111.2F62 I67 F89 E97 A98F62-L65 HydrophobicContact CB-CD1 4.21Å; F62-L65 HydrophobicContact CB-CG 4.47Å; F62-L65 HydrophobicContact CD1-CD1 3.56Å; F62-L65 HydrophobicContact CE1-CD1 4.41Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L65 WeakPolarHBondContact O-CA 3.16Å; F62-L65 WeakPolarHBondContact O-CB 3.4Å; F62-L65 PolarHBondContact O-N 2.78Å; L65-I67 PolarHBondContact O-N 3.19Å; L65-F89 HydrophobicContact CB-CD1 4.17Å; L65-F89 HydrophobicContact CB-CE1 3.76Å; L65-F89 HydrophobicContact CD1-CE1 3.85Å; L65-F89 HydrophobicContact CD1-CZ 4.09Å; L65-F89 HydrophobicContact CG-CE1 4.49Å; L65-E97 HydrophobicContact CD1-CB 4.49Å; L65-E97 HydrophobicContact CD2-CB 3.48Å; L65-E97 VanDerWaalsContact CD2-CB 3.48Å; L65-E97 HydrophobicContact CD2-CG 4.06Å; L65-A98 HydrophobicContact CD1-CB 3.97Å
66S78.3Confident82.2Confident68 Ų6876.8 Ų76.848%0.47639%0.386SS..  trans-81.785.9179.4-69.10000111.4F89 D90 S94S66-F89 WeakPolarHBondContact O-CA 3.38Å; S66-D90 PolarHBondContact O-N 2.78Å; S66-S94 PolarHBondContact N-OG 2.77Å
67I81.7Confident82.1Confident43 Ų4381.9 Ų81.922%0.22140%0.403CS..EExtended strand (participates in β ladder)trans-80.4126.8178.5-53.2167.5000110.7F62 L65 I70 V87 F89F62-I67 HydrophobicContact CB-CD1 3.69Å; F62-I67 HydrophobicContact CB-CG1 4.29Å; L65-I67 PolarHBondContact O-N 3.19Å; I67-I70 HydrophobicContact CD1-CD1 4.23Å; I67-I70 HydrophobicContact CG2-CD1 4.1Å; I67-I70 HydrophobicContact CG2-CG1 3.56Å; I67-V87 HydrophobicContact CB-CG1 4.42Å; I67-V87 HydrophobicContact CD1-CG1 4.47Å; I67-V87 HydrophobicContact CG1-CG1 4.05Å; I67-V87 HydrophobicContact CG2-CG1 3.66Å; I67-F89 HydrophobicContact CG1-CD1 4.17Å; I67-F89 HydrophobicContact CG1-CE1 3.8Å
68R84.6Confident82Confident160 Ų16082.2 Ų82.260%0.60441%0.408SS*.EExtended strand (participates in β ladder)trans-90.1-43.3172.5-177.2171179.1-148.214.8112.6E88R68-E88 HydrophobicContact CB-CG 4.34Å; R68-E88 VanDerWaalsContact CD-OE1 3.26Å; R68-E88 WeakPolarHBondContact CD-OE1 3.49Å; R68-E88 IonicContact CZ-OE1 3.47Å; R68-E88 PolarHBondContact N-O 3.25Å; R68-E88 IonicContact NE-OE1 3.62Å; R68-E88 IonicContact NH1-OE1 2.88Å; R68-E88 PolarHBondContact NH1-OE1 3.46Å
69S82.9Confident81.9Confident59 Ų5987 Ų8741%0.41343%0.433SS..EExtended strand (participates in β ladder)trans-155.8140-176.6-172.30000111.6E88S69-E88 PolarHBondContact N-O 3.5Å; S69-E88 PolarHBondContact O-N 3.3Å
70I86.6Confident81.8Confident20 Ų2089.6 Ų89.610%0.10344%0.44CS..EExtended strand (participates in β ladder)trans-116124.8176.6-53.2170.6000108.7Q55 I58 I67 L72 V87Q55-I70 HydrophobicContact CG-CB 4.11Å; Q55-I70 HydrophobicContact CG-CD1 3.8Å; Q55-I70 HydrophobicContact CG-CG2 4.14Å; I58-I70 HydrophobicContact CD1-CG2 4.22Å; I58-I70 HydrophobicContact CG2-CD1 4.22Å; I58-I70 HydrophobicContact CG2-CG2 4.19Å; I67-I70 HydrophobicContact CD1-CD1 4.23Å; I67-I70 HydrophobicContact CG2-CD1 4.1Å; I67-I70 HydrophobicContact CG2-CG1 3.56Å; I70-L72 HydrophobicContact CG2-CG 4.48Å; I70-V87 HydrophobicContact CG1-CG1 4.46Å
71R86.7Confident81.9Confident177 Ų17787.7 Ų87.767%0.66842%0.421SS*.EExtended strand (participates in β ladder)trans-117.2102.4177.1-178.1179.6179.4173.41.6110.7C85 Y86R71-C85 WeakPolarHBondContact O-CA 3.32Å; R71-Y86 PolarHBondContact N-O 3.49Å; R71-Y86 PolarHBondContact O-N 3.13Å
72L86.6Confident82.1Confident47 Ų4791 Ų9125%0.24643%0.433CS..EExtended strand (participates in β ladder)trans-79.7128.2172.4-69.1143.5000110.1Q55 I58 I70 F81 C85Q55-L72 HydrophobicContact CB-CD1 3.75Å; Q55-L72 HydrophobicContact CG-CD1 4.26Å; I58-L72 HydrophobicContact CD1-CD2 3.46Å; I58-L72 VanDerWaalsContact CD1-CD2 3.46Å; I58-L72 HydrophobicContact CD1-CG 4.25Å; I70-L72 HydrophobicContact CG2-CG 4.48Å; L72-F81 HydrophobicContact CB-CE2 3.86Å; L72-F81 HydrophobicContact CD2-CD2 4.13Å; L72-F81 HydrophobicContact CD2-CE2 3.26Å; L72-F81 HydrophobicContact CD2-CZ 3.56Å; L72-F81 HydrophobicContact CG-CE2 4.18Å; L72-C85 HydrophobicContact CD2-CB 4.2Å; L72-C85 HydrophobicContact CG-CB 4.49Å
73V85.6Confident82.4Confident33 Ų3391.2 Ų91.220%0.244%0.436CS..EExtended strand (participates in β ladder)trans-95.1113.8173.7-179.30000109.6K82 F84 Y86V73-K82 HydrophobicContact CG1-CB 4.47Å; V73-K82 HydrophobicContact CG1-CD 4.29Å; V73-K82 VanDerWaalsContact O-CB 3.29Å; V73-K82 WeakPolarHBondContact O-CB 3.41Å; V73-K82 PolarHBondContact O-N 3.3Å; V73-F84 HydrophobicContact CB-CD2 3.79Å; V73-F84 HydrophobicContact CB-CE2 3.33Å; V73-F84 HydrophobicContact CB-CZ 3.87Å; V73-F84 HydrophobicContact CG1-CD2 4.47Å; V73-F84 HydrophobicContact CG1-CE2 3.57Å; V73-F84 HydrophobicContact CG1-CZ 3.62Å; V73-F84 HydrophobicContact CG2-CD2 3.95Å; V73-F84 HydrophobicContact CG2-CE2 3.49Å; V73-F84 VanDerWaalsContact CG2-CE2 3.49Å; V73-F84 HydrophobicContact CG2-CZ 4.4Å; V73-F84 PolarHBondContact N-O 3.06Å; V73-Y86 HydrophobicContact CG2-CD2 3.95Å; V73-Y86 HydrophobicContact CG2-CE2 3.75Å
74R86.7Confident82.9Confident143 Ų14385.3 Ų85.354%0.5441%0.411SS..EExtended strand (participates in β ladder)trans-104.9148171.1-68.2-175-79.1165.5-7.7110D79 F81R74-D79 IonicContact CZ-OD1 2.72Å; R74-D79 IonicContact NH1-OD1 3.72Å; R74-D79 PolarHBondContact NH1-OD1 2.82Å; R74-D79 IonicContact NH1-OD2 3.92Å; R74-D79 PolarHBondContact NH1-OD2 3.3Å; R74-F81 HydrophobicContact CG-CD2 4.08Å
75D85.5Confident83.4Confident50 Ų5079.3 Ų79.327%0.26738%0.378SS..  trans-68.2134.6172.7-172.7-105.8000109.9D77 T78 D79 K80D75-D77 VanDerWaalsContact C-N 3.35Å; D75-D77 PolarHBondContact OD1-N 3.24Å; D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact OD1-N 3.24Å; D75-T78 PolarHBondContact OD1-OG1 3.21Å; D75-D79 WeakPolarHBondContact O-CA 3.41Å; D75-D79 PolarHBondContact O-N 2.69Å; D75-K80 PolarHBondContact N-O 3.11Å
76K79.9Confident83.9Confident199 Ų19982.5 Ų82.587%0.86539%0.39SS*.THydrogen-bonded Turntrans-76.4-25.2-173.4-72.7-176.4171-168.30113.2
77D80.7Confident84.3Confident151 Ų15179.2 Ų79.281%0.80737%0.367SS*.THydrogen-bonded Turntrans-91.1-37.2-174.2-61.2-92.4000111.1D75D75-D77 VanDerWaalsContact C-N 3.35Å; D75-D77 PolarHBondContact OD1-N 3.24Å
78T81Confident84.5Confident80 Ų8079.3 Ų79.349%0.49137%0.367SS..THydrogen-bonded Turntrans-104.2-8-178.356.20000114.7D75 K80D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact OD1-N 3.24Å; D75-T78 PolarHBondContact OD1-OG1 3.21Å; T78-K80 PolarHBondContact O-N 2.99Å
79D79.6Confident84.5Confident101 Ų10171.8 Ų71.854%0.5434%0.339SS..  trans48.315-166.4-155.3-107.1000113.9R74 D75R74-D79 IonicContact CZ-OD1 2.72Å; R74-D79 IonicContact NH1-OD1 3.72Å; R74-D79 PolarHBondContact NH1-OD1 2.82Å; R74-D79 IonicContact NH1-OD2 3.92Å; R74-D79 PolarHBondContact NH1-OD2 3.3Å; D75-D79 WeakPolarHBondContact O-CA 3.41Å; D75-D79 PolarHBondContact O-N 2.69Å
80K80.9Confident84.4Confident143 Ų14374.5 Ų74.562%0.62235%0.348SS*.  trans-78.1143.1178.6-70.2176.8-176.4-178.20109D75 T78 K82D75-K80 PolarHBondContact N-O 3.11Å; T78-K80 PolarHBondContact O-N 2.99Å; K80-K82 PolarHBondContact O-N 3.1Å
81F83.7Confident84.1Confident19 Ų1977.6 Ų77.68%0.08336%0.363CS..EExtended strand (participates in β ladder)trans-62.5132.9173.9-170.9-120.8000110L49 F51 L72 R74 G83 F84L49-F81 HydrophobicContact CB-CE1 3.9Å; L49-F81 HydrophobicContact CD1-CE1 4.34Å; L49-F81 HydrophobicContact CD1-CZ 4.31Å; F51-F81 WeakPolarHBondContact CD1-O 3.13Å; L72-F81 HydrophobicContact CB-CE2 3.86Å; L72-F81 HydrophobicContact CD2-CD2 4.13Å; L72-F81 HydrophobicContact CD2-CE2 3.26Å; L72-F81 HydrophobicContact CD2-CZ 3.56Å; L72-F81 HydrophobicContact CG-CE2 4.18Å; R74-F81 HydrophobicContact CG-CD2 4.08Å; F81-G83 PolarHBondContact O-N 2.92Å; F81-F84 WeakPolarHBondContact CE2-O 3.43Å; F81-F84 WeakPolarHBondContact CZ-O 3.18Å
82K82.8Confident83.8Confident120 Ų12071.4 Ų71.452%0.52234%0.344SS..EExtended strand (participates in β ladder)trans-81-3.3-176.3-153.7167.2165.4173.40112.7V73 K80 F84V73-K82 HydrophobicContact CG1-CB 4.47Å; V73-K82 HydrophobicContact CG1-CD 4.29Å; V73-K82 VanDerWaalsContact O-CB 3.29Å; V73-K82 WeakPolarHBondContact O-CB 3.41Å; V73-K82 PolarHBondContact O-N 3.3Å; K80-K82 PolarHBondContact O-N 3.1Å; K82-F84 HydrophobicContact CB-CD1 3.9Å; K82-F84 HydrophobicContact CB-CE1 3.59Å; K82-F84 HydrophobicContact CB-CZ 4.18Å; K82-F84 HydrophobicContact CD-CD1 4.38Å; K82-F84 HydrophobicContact CD-CE1 3.3Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD1 3.96Å; K82-F84 HydrophobicContact CG-CE1 3.31Å; K82-F84 HydrophobicContact CG-CZ 4.04Å
83G84.1Confident83.6Confident7 Ų772.7 Ų72.77%0.07235%0.351CS..EExtended strand (participates in β ladder)trans8218.7-179.700000113.6N48 L49 F81N48-G83 PolarHBondContact N-O 3.43Å; L49-G83 PolarHBondContact N-O 3.2Å; L49-G83 WeakPolarHBondContact O-CA 3.38Å; F81-G83 PolarHBondContact O-N 2.92Å
84F87.3Confident83.3Confident31 Ų3171.3 Ų71.314%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-147.1151.4174.162.9-95.8000113.1Y45 V46 V73 F81 K82 Y86Y45-F84 HydrophobicContact CE2-CB 3.59Å; Y45-F84 AromaticContact CE2-CD2 3.83Å; Y45-F84 HydrophobicContact CE2-CD2 3.83Å; Y45-F84 AromaticContact CE2-CG 3.87Å; Y45-F84 HydrophobicContact CE2-CG 3.87Å; V46-F84 CarbonylContact O-C 3.51Å; V46-F84 WeakPolarHBondContact O-CA 3.31Å; V46-F84 WeakPolarHBondContact O-CB 3.11Å; V73-F84 HydrophobicContact CB-CD2 3.79Å; V73-F84 HydrophobicContact CB-CE2 3.33Å; V73-F84 HydrophobicContact CB-CZ 3.87Å; V73-F84 HydrophobicContact CG1-CD2 4.47Å; V73-F84 HydrophobicContact CG1-CE2 3.57Å; V73-F84 HydrophobicContact CG1-CZ 3.62Å; V73-F84 HydrophobicContact CG2-CD2 3.95Å; V73-F84 HydrophobicContact CG2-CE2 3.49Å; V73-F84 VanDerWaalsContact CG2-CE2 3.49Å; V73-F84 HydrophobicContact CG2-CZ 4.4Å; V73-F84 PolarHBondContact N-O 3.06Å; F81-F84 WeakPolarHBondContact CE2-O 3.43Å; F81-F84 WeakPolarHBondContact CZ-O 3.18Å; K82-F84 HydrophobicContact CB-CD1 3.9Å; K82-F84 HydrophobicContact CB-CE1 3.59Å; K82-F84 HydrophobicContact CB-CZ 4.18Å; K82-F84 HydrophobicContact CD-CD1 4.38Å; K82-F84 HydrophobicContact CD-CE1 3.3Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD1 3.96Å; K82-F84 HydrophobicContact CG-CE1 3.31Å; K82-F84 HydrophobicContact CG-CZ 4.04Å; F84-Y86 HydrophobicContact CD2-CE2 4.12Å; F84-Y86 HydrophobicContact CE2-CE2 4.03Å
85C87.9Confident82.9Confident0 Ų064.5 Ų64.50%032%0.317CS..EExtended strand (participates in β ladder)trans-136.2161.3175.565.80000110.9V46 L49 I58 R71 L72V46-C85 PolarHBondContact N-O 3.28Å; V46-C85 PolarHBondContact O-N 2.96Å; L49-C85 HydrophobicContact CD1-CB 4.38Å; L49-C85 VanDerWaalsContact CD1-SG 3.53Å; I58-C85 HydrophobicContact CD1-CB 3.89Å; I58-C85 VanDerWaalsContact CD1-SG 3.56Å; R71-C85 WeakPolarHBondContact O-CA 3.32Å; L72-C85 HydrophobicContact CD2-CB 4.2Å; L72-C85 HydrophobicContact CG-CB 4.49Å
86Y88.3Confident82.7Confident81 Ų8166.4 Ų66.432%0.31832%0.323SS..EExtended strand (participates in β ladder)trans-112.2131.6168.2-61.5-85.9000108T43 A44 Y45 R71 V73 F84 A116T43-Y86 HydrophobicContact CG2-CD1 4.32Å; A44-Y86 CarbonylContact O-C 3.45Å; A44-Y86 WeakPolarHBondContact O-CA 3.49Å; Y45-Y86 HydrophobicContact CD2-CD1 4.27Å; Y45-Y86 AromaticContact CD2-CE1 3.71Å; Y45-Y86 HydrophobicContact CD2-CE1 3.71Å; Y45-Y86 AromaticContact CD2-CZ 3.98Å; Y45-Y86 HydrophobicContact CG-CE1 4.47Å; R71-Y86 PolarHBondContact N-O 3.49Å; R71-Y86 PolarHBondContact O-N 3.13Å; V73-Y86 HydrophobicContact CG2-CD2 3.95Å; V73-Y86 HydrophobicContact CG2-CE2 3.75Å; F84-Y86 HydrophobicContact CD2-CE2 4.12Å; F84-Y86 HydrophobicContact CE2-CE2 4.03Å; Y86-A116 HydrophobicContact CD1-CB 4.17Å; Y86-A116 HydrophobicContact CE1-CB 4.34Å
87V86.3Confident82.7Confident0 Ų060.7 Ų60.70%030%0.299CS..EExtended strand (participates in β ladder)trans-116.6122.7176.7-173.20000107.2T43 A44 V46 I58 I67 I70 F89T43-V87 CarbonylContact C-O 3.49Å; T43-V87 WeakPolarHBondContact CA-O 3.27Å; A44-V87 PolarHBondContact N-O 2.92Å; A44-V87 PolarHBondContact O-N 2.9Å; V46-V87 HydrophobicContact CG2-CG2 4.24Å; I58-V87 HydrophobicContact CG2-CG2 3.9Å; I67-V87 HydrophobicContact CB-CG1 4.42Å; I67-V87 HydrophobicContact CD1-CG1 4.47Å; I67-V87 HydrophobicContact CG1-CG1 4.05Å; I67-V87 HydrophobicContact CG2-CG1 3.66Å; I70-V87 HydrophobicContact CG1-CG1 4.46Å; V87-F89 HydrophobicContact CB-CE2 3.91Å; V87-F89 HydrophobicContact CB-CZ 3.88Å; V87-F89 HydrophobicContact CG1-CD1 4.26Å; V87-F89 HydrophobicContact CG1-CD2 4.35Å; V87-F89 HydrophobicContact CG1-CE1 3.66Å; V87-F89 HydrophobicContact CG1-CE2 3.76Å; V87-F89 HydrophobicContact CG1-CZ 3.38Å
88E86.6Confident82.6Confident45 Ų4553.5 Ų53.521%0.2126%0.261CS..EExtended strand (participates in β ladder)trans-94.5125.7173.3-170.9179.9143.800108.3P41 R68 S69P41-E88 HydrophobicContact CB-CG 3.9Å; R68-E88 HydrophobicContact CB-CG 4.34Å; R68-E88 VanDerWaalsContact CD-OE1 3.26Å; R68-E88 WeakPolarHBondContact CD-OE1 3.49Å; R68-E88 IonicContact CZ-OE1 3.47Å; R68-E88 PolarHBondContact N-O 3.25Å; R68-E88 IonicContact NE-OE1 3.62Å; R68-E88 IonicContact NH1-OE1 2.88Å; R68-E88 PolarHBondContact NH1-OE1 3.46Å; S69-E88 PolarHBondContact N-O 3.5Å; S69-E88 PolarHBondContact O-N 3.3Å
89F84Confident82.5Confident2 Ų251.8 Ų51.81%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-108148.5176.8-59.1-79.9000110.1Y42 A44 L65 S66 I67 V87 L95 A98Y42-F89 PolarHBondContact O-N 3.44Å; A44-F89 HydrophobicContact CB-CD2 4.36Å; A44-F89 HydrophobicContact CB-CE2 3.62Å; L65-F89 HydrophobicContact CB-CD1 4.17Å; L65-F89 HydrophobicContact CB-CE1 3.76Å; L65-F89 HydrophobicContact CD1-CE1 3.85Å; L65-F89 HydrophobicContact CD1-CZ 4.09Å; L65-F89 HydrophobicContact CG-CE1 4.49Å; S66-F89 WeakPolarHBondContact O-CA 3.38Å; I67-F89 HydrophobicContact CG1-CD1 4.17Å; I67-F89 HydrophobicContact CG1-CE1 3.8Å; V87-F89 HydrophobicContact CB-CE2 3.91Å; V87-F89 HydrophobicContact CB-CZ 3.88Å; V87-F89 HydrophobicContact CG1-CD1 4.26Å; V87-F89 HydrophobicContact CG1-CD2 4.35Å; V87-F89 HydrophobicContact CG1-CE1 3.66Å; V87-F89 HydrophobicContact CG1-CE2 3.76Å; V87-F89 HydrophobicContact CG1-CZ 3.38Å; F89-L95 HydrophobicContact CD2-CD1 4.33Å; F89-A98 HydrophobicContact CE2-CB 4.31Å; F89-A98 HydrophobicContact CZ-CB 4.22Å
90D81.7Confident82.6Confident115 Ų11552.4 Ų52.462%0.61526%0.256SS*.SBendtrans-81.7-26.2174-155.7-110.1000111.5Y42 S66Y42-D90 WeakPolarHBondContact CE2-O 3.34Å; S66-D90 PolarHBondContact O-N 2.78Å
91E80.8Confident82.3Confident86 Ų8650.4 Ų50.440%0.40225%0.246SC..  trans-114.9144.1-171.4-164.1-155-168.900112.4D93 S94 L95E91-D93 HydrophobicContact CG-CB 4.12Å; E91-D93 WeakPolarHBondContact OE1-CB 3.29Å; E91-S94 PolarHBondContact OE2-N 3.06Å; E91-S94 VanDerWaalsContact OE2-N 3.17Å; E91-S94 PolarHBondContact OE2-OG 2.88Å; E91-L95 PolarHBondContact O-N 3.48Å
92V80.6Confident82.1Confident47 Ų4752.3 Ų52.329%0.28526%0.257SS..Hα-helixtrans-70-30.2172.767.60000113.2L36 Y42 L95 K96L36-V92 HydrophobicContact CB-CG2 4.04Å; L36-V92 HydrophobicContact CD1-CG2 4.09Å; L36-V92 HydrophobicContact CD2-CG2 4.33Å; L36-V92 HydrophobicContact CG-CG2 4.38Å; Y42-V92 HydrophobicContact CD1-CB 4.22Å; Y42-V92 HydrophobicContact CD1-CG2 4.35Å; Y42-V92 HydrophobicContact CE1-CB 3.64Å; Y42-V92 HydrophobicContact CE1-CG2 3.85Å; Y42-V92 HydrophobicContact CE2-CB 4.43Å; V92-L95 WeakPolarHBondContact O-CB 3.43Å; V92-L95 PolarHBondContact O-N 2.93Å; V92-K96 PolarHBondContact O-N 3.46Å
93D81.9Confident81.6Confident74 Ų7448.6 Ų48.640%0.39625%0.253SS..Hα-helixtrans-70.2-43.4-178.9-146.1-109.4000110.6E91 L95 K96 E97E91-D93 HydrophobicContact CG-CB 4.12Å; E91-D93 WeakPolarHBondContact OE1-CB 3.29Å; D93-L95 PolarHBondContact O-N 3.32Å; D93-K96 WeakPolarHBondContact O-CB 3.46Å; D93-K96 PolarHBondContact O-N 2.91Å; D93-K96 IonicContact OD2-NZ 3.68Å; D93-E97 WeakPolarHBondContact O-CG 3.35Å; D93-E97 PolarHBondContact O-N 2.88Å
94S78.4Confident81.2Confident3 Ų350.1 Ų50.12%0.02126%0.264CS..Hα-helixtrans-50.8-39.3168-66.60000113.5S66 E91 A98S66-S94 PolarHBondContact N-OG 2.77Å; E91-S94 PolarHBondContact OE2-N 3.06Å; E91-S94 VanDerWaalsContact OE2-N 3.17Å; E91-S94 PolarHBondContact OE2-OG 2.88Å; S94-A98 WeakPolarHBondContact O-CB 3.31Å; S94-A98 PolarHBondContact O-N 3.25Å
95L78.3Confident80.6Confident1 Ų155.4 Ų55.41%0.00529%0.294CS..Hα-helixtrans-67-39.6175.5-173.478.8000112.4L36 P37 Y42 A44 F89 E91 V92 D93 A98 L99 I115L36-L95 HydrophobicContact CD2-CD2 3.58Å; L36-L95 HydrophobicContact CD2-CG 4.2Å; P37-L95 HydrophobicContact CG-CD2 4.46Å; Y42-L95 HydrophobicContact CD1-CD2 4.2Å; A44-L95 HydrophobicContact CB-CD1 4.12Å; F89-L95 HydrophobicContact CD2-CD1 4.33Å; E91-L95 PolarHBondContact O-N 3.48Å; V92-L95 WeakPolarHBondContact O-CB 3.43Å; V92-L95 PolarHBondContact O-N 2.93Å; D93-L95 PolarHBondContact O-N 3.32Å; L95-A98 PolarHBondContact O-N 3.19Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L99 PolarHBondContact O-N 2.85Å; L95-I115 HydrophobicContact CD2-CD1 4.39Å; L95-I115 HydrophobicContact CD2-CG1 4.28Å; L95-I115 HydrophobicContact CD2-CG2 4.12Å; L95-I115 HydrophobicContact CG-CG1 4.45Å
96K81.2Confident79.7Confident90 Ų9058.3 Ų58.339%0.39131%0.309SS..Hα-helixtrans-67.4-45.4178.3-67174.3-168.3163.40111.6L36 V92 D93 A98 L99 T100L36-K96 HydrophobicContact CD1-CD 3.95Å; L36-K96 HydrophobicContact CD1-CG 3.67Å; L36-K96 HydrophobicContact CD2-CG 3.68Å; L36-K96 HydrophobicContact CG-CG 4.33Å; V92-K96 PolarHBondContact O-N 3.46Å; D93-K96 WeakPolarHBondContact O-CB 3.46Å; D93-K96 PolarHBondContact O-N 2.91Å; D93-K96 IonicContact OD2-NZ 3.68Å; K96-A98 VanDerWaalsContact C-N 3.3Å; K96-A98 PolarHBondContact O-N 2.75Å; K96-L99 WeakPolarHBondContact O-CB 3.42Å; K96-L99 PolarHBondContact O-N 3.22Å; K96-L99 VanDerWaalsContact O-N 3.13Å; K96-T100 PolarHBondContact O-N 2.99Å; K96-T100 PolarHBondContact O-OG1 3.18Å
97E81Confident78.9Confident78 Ų7857.6 Ų57.636%0.36433%0.326SS..Hα-helixtrans-55.9-48175.2-72.9-94.798.300109.9L65 D93 L99 T100 Y101L65-E97 HydrophobicContact CD1-CB 4.49Å; L65-E97 HydrophobicContact CD2-CB 3.48Å; L65-E97 VanDerWaalsContact CD2-CB 3.48Å; L65-E97 HydrophobicContact CD2-CG 4.06Å; D93-E97 WeakPolarHBondContact O-CG 3.35Å; D93-E97 PolarHBondContact O-N 2.88Å; E97-L99 PolarHBondContact O-N 2.95Å; E97-T100 WeakPolarHBondContact O-CA 3.22Å; E97-T100 VanDerWaalsContact O-CB 3.27Å; E97-T100 WeakPolarHBondContact O-CB 3.38Å; E97-T100 PolarHBondContact O-N 2.94Å; E97-Y101 WeakPolarHBondContact O-CD2 3.2Å; E97-Y101 PolarHBondContact O-N 3.11Å
98A78.1Confident78.4Confident0 Ų066 Ų660%037%0.371CS..Hα-helixtrans-56.6-35.3177.300000113.5F62 L65 F89 S94 L95 K96 T100 Y101 V113F62-A98 HydrophobicContact CE1-CB 4.29Å; L65-A98 HydrophobicContact CD1-CB 3.97Å; F89-A98 HydrophobicContact CE2-CB 4.31Å; F89-A98 HydrophobicContact CZ-CB 4.22Å; S94-A98 WeakPolarHBondContact O-CB 3.31Å; S94-A98 PolarHBondContact O-N 3.25Å; L95-A98 PolarHBondContact O-N 3.19Å; K96-A98 VanDerWaalsContact C-N 3.3Å; K96-A98 PolarHBondContact O-N 2.75Å; A98-T100 VanDerWaalsContact C-N 3.32Å; A98-Y101 PolarHBondContact O-N 2.85Å; A98-V113 HydrophobicContact CB-CG1 4.21Å; A98-V113 WeakPolarHBondContact O-CB 3.18Å; A98-V113 WeakPolarHBondContact O-CG1 3.45Å
99L79.6Confident78Confident45 Ų4568.3 Ų68.324%0.23638%0.378CS..Hα-helixtrans-70.3-28.9176.8-67.5161.5000112.8L36 L95 K96 E97 Y101 D102 I115L36-L99 HydrophobicContact CD2-CD1 4.36Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L99 PolarHBondContact O-N 2.85Å; K96-L99 WeakPolarHBondContact O-CB 3.42Å; K96-L99 PolarHBondContact O-N 3.22Å; K96-L99 VanDerWaalsContact O-N 3.13Å; E97-L99 PolarHBondContact O-N 2.95Å; L99-Y101 PolarHBondContact O-N 3.14Å; L99-D102 WeakPolarHBondContact O-CB 3.03Å; L99-D102 PolarHBondContact O-N 3.05Å; L99-D102 VanDerWaalsContact O-N 3.12Å; L99-I115 HydrophobicContact CD1-CD1 3.58Å; L99-I115 HydrophobicContact CD1-CG1 3.58Å; L99-I115 HydrophobicContact CD2-CD1 4.39Å; L99-I115 HydrophobicContact CD2-CG1 3.64Å; L99-I115 HydrophobicContact CG-CG1 4.06Å
100T81.3Confident78Confident114 Ų11471 Ų7170%0.69940%0.397SS*.Hα-helixtrans-66.6-27.5173.3-50.40000111.3K96 E97 A98 D102K96-T100 PolarHBondContact O-N 2.99Å; K96-T100 PolarHBondContact O-OG1 3.18Å; E97-T100 WeakPolarHBondContact O-CA 3.22Å; E97-T100 VanDerWaalsContact O-CB 3.27Å; E97-T100 WeakPolarHBondContact O-CB 3.38Å; E97-T100 PolarHBondContact O-N 2.94Å; A98-T100 VanDerWaalsContact C-N 3.32Å; T100-D102 PolarHBondContact O-N 3.09Å
101Y74.8Confident78.1Confident100 Ų10066.1 Ų66.139%0.39237%0.37SS..THydrogen-bonded Turntrans-79.82.4173.4-66.4-81.3000113.8E97 A98 L99 G103 A104E97-Y101 WeakPolarHBondContact O-CD2 3.2Å; E97-Y101 PolarHBondContact O-N 3.11Å; A98-Y101 PolarHBondContact O-N 2.85Å; L99-Y101 PolarHBondContact O-N 3.14Å; Y101-G103 PolarHBondContact O-N 3.4Å; Y101-A104 WeakPolarHBondContact O-CB 3.44Å; Y101-A104 PolarHBondContact O-N 3.42Å
102D79.5Confident78.4Confident59 Ų5968.5 Ų68.532%0.31638%0.376SS..THydrogen-bonded Turntrans-63.9127.3172.2-176.4-127000111.1R31 L99 T100 A104 R112 V113R31-D102 IonicContact CZ-OD1 3.99Å; R31-D102 IonicContact CZ-OD2 2.71Å; R31-D102 IonicContact NH1-OD1 3.31Å; R31-D102 PolarHBondContact NH1-OD1 3.15Å; R31-D102 IonicContact NH1-OD2 3.28Å; R31-D102 PolarHBondContact NH1-OD2 3.22Å; R31-D102 IonicContact NH2-OD2 3.04Å; L99-D102 WeakPolarHBondContact O-CB 3.03Å; L99-D102 PolarHBondContact O-N 3.05Å; L99-D102 VanDerWaalsContact O-N 3.12Å; T100-D102 PolarHBondContact O-N 3.09Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-R112 WeakPolarHBondContact OD2-CA 3.3Å; D102-V113 HydrophobicContact CB-CB 4.17Å; D102-V113 PolarHBondContact OD2-N 3.07Å; D102-V113 VanDerWaalsContact OD2-O 3.08Å
103G73.2Confident78.6Confident43 Ų4366.3 Ų66.344%0.44336%0.362SS..THydrogen-bonded Turntrans84.90.8-17900000114.8Y101 L105 L111Y101-G103 PolarHBondContact O-N 3.4Å; G103-L105 PolarHBondContact O-N 3.34Å; G103-L111 WeakPolarHBondContact CA-O 3.47Å; G103-L111 PolarHBondContact N-O 2.9Å
104A74.1Confident78.7Confident38 Ų3864.7 Ų64.731%0.31435%0.354SS..  trans-59.5134.9174.900000111.2Y101 D102 L106 S110 L111Y101-A104 WeakPolarHBondContact O-CB 3.44Å; Y101-A104 PolarHBondContact O-N 3.42Å; D102-A104 VanDerWaalsContact C-N 3.34Å; A104-L106 PolarHBondContact O-N 2.96Å; A104-S110 CarbonylContact O-C 3.39Å; A104-L111 HydrophobicContact CB-CD1 4.31Å; A104-L111 WeakPolarHBondContact O-CB 3.21Å; A104-L111 WeakPolarHBondContact O-CG 3.45Å; A104-L111 PolarHBondContact O-N 3.34Å
105L75.1Confident78.9Confident143 Ų14365 Ų6575%0.74936%0.355SS*.EExtended strand (participates in β ladder)trans-80.9111.9179.5-67.2169000109.7G103G103-L105 PolarHBondContact O-N 3.34Å
106L68.2Low78.8Confident61 Ų6165.7 Ų65.732%0.31936%0.361SS..EExtended strand (participates in β ladder)trans-102.691.3171.6-167.6122.1000108.7P50 I61 A104 D108 R109 L111P50-L106 HydrophobicContact CG-CD2 3.78Å; I61-L106 HydrophobicContact CD1-CD1 3.62Å; I61-L106 HydrophobicContact CG1-CD1 4.31Å; A104-L106 PolarHBondContact O-N 2.96Å; L106-D108 PolarHBondContact O-N 3.2Å; L106-R109 PolarHBondContact N-O 3.28Å; L106-R109 PolarHBondContact O-N 2.92Å; L106-L111 HydrophobicContact CB-CD1 4.06Å; L106-L111 HydrophobicContact CB-CD2 3.89Å; L106-L111 HydrophobicContact CB-CG 3.82Å; L106-L111 HydrophobicContact CD1-CD1 4.08Å; L106-L111 HydrophobicContact CD1-CD2 4.4Å
107G72.7Confident78.3Confident66 Ų6668.2 Ų68.268%0.6837%0.374SS*.THydrogen-bonded Turntrans66.4-126.3-170.300000111R109G107-R109 VanDerWaalsContact C-N 3.3Å; G107-R109 PolarHBondContact O-N 3.02Å
108D76.5Confident77.3Confident175 Ų17565.6 Ų65.694%0.93637%0.369SS*.THydrogen-bonded Turntrans-85.27.6178.4-66.1-88.3000114.4L106L106-D108 PolarHBondContact O-N 3.2Å
109R77.8Confident76.2Confident95 Ų9577 Ų7736%0.35841%0.412SS..EExtended strand (participates in β ladder)trans-127.7138.5-175.2-63-174.9-179.2-1750.1111.7L106 G107L106-R109 PolarHBondContact N-O 3.28Å; L106-R109 PolarHBondContact O-N 2.92Å; G107-R109 VanDerWaalsContact C-N 3.3Å; G107-R109 PolarHBondContact O-N 3.02Å
110S83.2Confident75Confident59 Ų5981.2 Ų81.241%0.41343%0.428SS..EExtended strand (participates in β ladder)trans-82.7125.2172.645.50000111.1N48 A104N48-S110 VanDerWaalsContact CB-O 3.3Å; N48-S110 WeakPolarHBondContact CB-O 3.49Å; N48-S110 PolarHBondContact ND2-O 2.85Å; A104-S110 CarbonylContact O-C 3.39Å
111L84.9Confident73.6Confident11 Ų1184.5 Ų84.56%0.05844%0.435CS..  trans-65.8143.7171.8-63.8177000109.9L49 G103 A104 L106L49-L111 HydrophobicContact CD2-CD2 3.47Å; L49-L111 VanDerWaalsContact CD2-CD2 3.47Å; L49-L111 HydrophobicContact CG-CD2 4.43Å; G103-L111 WeakPolarHBondContact CA-O 3.47Å; G103-L111 PolarHBondContact N-O 2.9Å; A104-L111 HydrophobicContact CB-CD1 4.31Å; A104-L111 WeakPolarHBondContact O-CB 3.21Å; A104-L111 WeakPolarHBondContact O-CG 3.45Å; A104-L111 PolarHBondContact O-N 3.34Å; L106-L111 HydrophobicContact CB-CD1 4.06Å; L106-L111 HydrophobicContact CB-CD2 3.89Å; L106-L111 HydrophobicContact CB-CG 3.82Å; L106-L111 HydrophobicContact CD1-CD1 4.08Å; L106-L111 HydrophobicContact CD1-CD2 4.4Å
112R85.2Confident72.3Confident136 Ų13684.8 Ų84.851%0.51344%0.444SS..EExtended strand (participates in β ladder)trans-120.2111174.5-172.1178.4-177-158.2-0.2109.4V46 G47 D102V46-R112 CarbonylContact C-O 3.59Å; V46-R112 WeakPolarHBondContact CA-O 3.18Å; G47-R112 PolarHBondContact N-O 3.3Å; G47-R112 PolarHBondContact O-N 3.39Å; D102-R112 WeakPolarHBondContact OD2-CA 3.3Å
113V85.6Confident71Confident1 Ų192 Ų921%0.00647%0.472CS..EExtended strand (participates in β ladder)trans-108.3127.5177.2-1700000108.8R31 A44 Y45 V46 A98 D102R31-V113 VanDerWaalsContact CZ-O 3.27Å; R31-V113 PolarHBondContact NH1-O 2.83Å; R31-V113 PolarHBondContact NH2-O 2.74Å; A44-V113 HydrophobicContact CB-CG1 4.29Å; Y45-V113 CarbonylContact O-C 3.56Å; Y45-V113 VanDerWaalsContact O-CA 3.31Å; Y45-V113 WeakPolarHBondContact O-CA 3.3Å; V46-V113 HydrophobicContact CG1-CG2 4.35Å; V46-V113 HydrophobicContact CG2-CG1 4.35Å; V46-V113 HydrophobicContact CG2-CG2 4.4Å; A98-V113 HydrophobicContact CB-CG1 4.21Å; A98-V113 WeakPolarHBondContact O-CB 3.18Å; A98-V113 WeakPolarHBondContact O-CG1 3.45Å; D102-V113 HydrophobicContact CB-CB 4.17Å; D102-V113 PolarHBondContact OD2-N 3.07Å; D102-V113 VanDerWaalsContact OD2-O 3.08Å
114D84.5Confident69.9Low40 Ų4093 Ų9321%0.21448%0.482CS..EExtended strand (participates in β ladder)trans-130.2149.9175.6-153.6-122.9000109.6R31 A44 Y45 A116R31-D114 IonicContact CZ-OD2 3.73Å; R31-D114 VanDerWaalsContact CZ-OD2 3.28Å; R31-D114 IonicContact NE-OD2 3.92Å; R31-D114 PolarHBondContact NE-OD2 2.81Å; R31-D114 VanDerWaalsContact NH2-CG 3.34Å; R31-D114 IonicContact NH2-OD2 2.76Å; R31-D114 PolarHBondContact NH2-OD2 3.13Å; A44-D114 CarbonylContact C-O 3.51Å; A44-D114 WeakPolarHBondContact CA-O 3.43Å; Y45-D114 HydrophobicContact CD1-CB 4.08Å; Y45-D114 PolarHBondContact N-O 2.83Å; Y45-D114 PolarHBondContact O-N 2.79Å; D114-A116 PolarHBondContact O-N 2.97Å
115I81.4Confident68.7Low9 Ų994.4 Ų94.45%0.04650%0.5CS..EExtended strand (participates in β ladder)trans-70.5117.4168-56.4171.5000107.8K34 L36 P37 L95 L99K34-I115 HydrophobicContact CB-CD1 4.32Å; K34-I115 WeakPolarHBondContact O-CD1 3.45Å; L36-I115 HydrophobicContact CD2-CD1 4.27Å; P37-I115 HydrophobicContact CG-CG2 4.28Å; L95-I115 HydrophobicContact CD2-CD1 4.39Å; L95-I115 HydrophobicContact CD2-CG1 4.28Å; L95-I115 HydrophobicContact CD2-CG2 4.12Å; L95-I115 HydrophobicContact CG-CG1 4.45Å; L99-I115 HydrophobicContact CD1-CD1 3.58Å; L99-I115 HydrophobicContact CD1-CG1 3.58Å; L99-I115 HydrophobicContact CD2-CD1 4.39Å; L99-I115 HydrophobicContact CD2-CG1 3.64Å; L99-I115 HydrophobicContact CG-CG1 4.06Å
116A77.8Confident67.4Low16 Ų1697.7 Ų97.713%0.13251%0.509CS..EExtended strand (participates in β ladder)trans-92.3114.216700000107.7T43 Y86 D114 G118T43-A116 CarbonylContact C-O 3.51Å; T43-A116 VanDerWaalsContact CB-O 3.27Å; T43-A116 WeakPolarHBondContact CB-O 3.41Å; T43-A116 HydrophobicContact CG2-CB 4.03Å; T43-A116 CarbonylContact O-C 3.58Å; T43-A116 WeakPolarHBondContact O-CA 3.41Å; T43-A116 PolarHBondContact O-N 2.73Å; Y86-A116 HydrophobicContact CD1-CB 4.17Å; Y86-A116 HydrophobicContact CE1-CB 4.34Å; D114-A116 PolarHBondContact O-N 2.97Å; A116-G118 PolarHBondContact O-N 3.31Å
117E70.1Confident66.4Low143 Ų14397 Ų9767%0.66852%0.517SS*.EExtended strand (participates in β ladder)trans-63114.9159.7-75.9-142.5109.300107.1R119E117-R119 PolarHBondContact O-N 3.45Å
118G59.1Low65.2Low24 Ų24103.4 Ų103.425%0.24753%0.527CS..  trans-51.7131167.700000106.3A116 K120A116-G118 PolarHBondContact O-N 3.31Å; G118-K120 PolarHBondContact O-N 2.79Å
119R56.7Low64Low240 Ų240107.5 Ų107.591%0.90653%0.529SS*.  trans-53.5114.1168.3-65.7-169.8-155-178.44.6104.4E117 Q121E117-R119 PolarHBondContact O-N 3.45Å; R119-Q121 PolarHBondContact O-N 3.36Å
120K53.5Low62.5Low133 Ų133111 Ų11158%0.57855%0.546SS*.  trans-43.4117168-82.5-172.7171.4-165.70103.8E39 G118 D122E39-K120 WeakPolarHBondContact OE2-CE 3.47Å; E39-K120 IonicContact OE2-NZ 2.71Å; E39-K120 PolarHBondContact OE2-NZ 3.17Å; G118-K120 PolarHBondContact O-N 2.79Å; K120-D122 PolarHBondContact O-N 3.26Å
121Q51Low60.8Low183 Ų183112 Ų11286%0.85557%0.567SS**  trans-71.382.3174.3-166.3141.230.100103.2R119 K123R119-Q121 PolarHBondContact O-N 3.36Å; Q121-K123 PolarHBondContact O-N 3.47Å
122D48.9Very low58.7Low106 Ų106113.4 Ų113.457%0.56758%0.584SS**  trans-59.880.9160.9-62.4-68.6000104.2K120 G124K120-D122 PolarHBondContact O-N 3.26Å; D122-G124 PolarHBondContact O-N 2.79Å
123K51.4Low56.9Low210 Ų210113 Ų11391%0.91360%0.599SS**SBendtrans-69.773.5166.3-159176.9-178-178.90104.3Q121Q121-K123 PolarHBondContact O-N 3.47Å
124G50.3Low55Low63 Ų63119.4 Ų119.465%0.64963%0.633SS**SBendtrans120.3110.1-173.400000112.3D122D122-G124 PolarHBondContact O-N 2.79Å
125G49.9Very low53.4Low68 Ų68124.7 Ų124.770%0.70166%0.661SS**  trans142.213.2155.600000120G127G125-G127 PolarHBondContact O-N 3.37Å
126F47.6Very low51.6Low213 Ų213136.5 Ų136.593%0.93471%0.705SS**SBendtrans-90.583.9163.8-93.6-87.5000110.8
127G47.2Very low49.8Very low47 Ų47139.3 Ų139.349%0.48574%0.736SS.*SBendtrans162.5123.1170.500000110G125G125-G127 PolarHBondContact O-N 3.37Å
128F46.8Very low48.3Very low200 Ų200141 Ų14188%0.87775%0.746SS**  trans86.352.6173-35.8-68.8000118.5
129R50.4Low47.8Very low260 Ų260143.5 Ų143.598%0.98177%0.771SS**  trans-94.457.5130.4-77-81.4-143.3-125-2.2108.3G131R129-G131 PolarHBondContact O-N 3Å; R129-G131 VanDerWaalsContact O-N 3.1Å
130K46.8Very low46.9Very low168 Ų168136.9 Ų136.973%0.7376%0.762SS**  trans-79.484.5160.9-172.3177.5177.6-179.10105.3G132K130-G132 PolarHBondContact O-N 3.45Å; K130-G132 VanDerWaalsContact O-N 3.11Å
131G47Very low46.4Very low81 Ų81135.4 Ų135.484%0.83577%0.768SS**  trans-54.8111.5150.900000107.1R129R129-G131 PolarHBondContact O-N 3Å; R129-G131 VanDerWaalsContact O-N 3.1Å
132G40.8Very low45.7Very low41 Ų41137.6 Ų137.642%0.42377%0.769SS.*  trans136.4143.8163.100000113.5K130K130-G132 PolarHBondContact O-N 3.45Å; K130-G132 VanDerWaalsContact O-N 3.11Å
133P48.8Very low45.1Very low128 Ų128140.6 Ų140.683%0.83178%0.779SS**SBendcis-141.8105.17.534.6-11.1000113.9
134D45.7Very low44.5Very low135 Ų135136.2 Ų136.272%0.72278%0.775SS**SBendtrans-137.220.5178.350.9-63.7000116.1
135D49.4Very low43.9Very low150 Ų150144.3 Ų144.380%0.80279%0.786SS**  trans-145.141.2176.9-65.9-77.1000115.8
136R44.8Very low43.2Very low258 Ų258145 Ų14597%0.97479%0.793SS**SBendtrans-125.497161.5-74.5-163.1-164.3153.54.6111
137G40.6Very low42.6Very low75 Ų75138 Ų13877%0.77378%0.78SS**  trans157.510.1161.200000117.5G139G137-G139 PolarHBondContact O-N 2.82Å; G137-G139 VanDerWaalsContact O-N 3.11Å
138M38.1Very low42.1Very low179 Ų179147.8 Ų147.888%0.88280%0.803SS**  trans-79.895168.8-169.364.987.600108.6S140M138-S140 PolarHBondContact O-N 3.46Å; M138-S140 VanDerWaalsContact O-N 3.14Å
139G48.2Very low41.8Very low75 Ų75143.8 Ų143.877%0.77379%0.791SS**  trans-52.2117.7166.600000109.8G137G137-G139 PolarHBondContact O-N 2.82Å; G137-G139 VanDerWaalsContact O-N 3.11Å
140S36.9Very low41.2Very low102 Ų102137 Ų13771%0.71378%0.783SS**  trans-138.5100.8162.5-155.50000108.8M138M138-S140 PolarHBondContact O-N 3.46Å; M138-S140 VanDerWaalsContact O-N 3.14Å
141S43.7Very low40.9Very low102 Ų102137.4 Ų137.471%0.71378%0.78SS**  trans-11.6126.6147.4-175.20000114.3
142R37.3Very low40.4Very low228 Ų228139.3 Ų139.386%0.8677%0.771SS**  176128.1125.5-88.9149.1-159.9-1736.3110.9
143E36.1Very low40.4Very low169 Ų169144 Ų14479%0.7979%0.786SS**  trans-48146.4166.6-59.7165.870.700113.3
144S38.9Very low40Very low118 Ų118146.4 Ų146.483%0.82578%0.784SS**  trans179.796.9146.3-76.80000107.7
145R37.1Very low39.9Very low234 Ų234147.8 Ų147.888%0.88379%0.792SS**  46.7116.182.4-74.7-169.2178.1168.12.5115.1
146G34.5Very low39.4Very low83 Ų83146.2 Ų146.286%0.85679%0.792SS**  trans92.4128.2164.600000112.7
147G36.6Very low39.4Very low64 Ų64137 Ų13766%0.6678%0.777SS**  cis118.4106.426.100000107.4
148W35.1Very low39.3Very low253 Ų253143.4 Ų143.496%0.95878%0.784SS**  trans-156.294.6154.4-83.9-45.2000109.7S150W148-S150 PolarHBondContact O-N 2.77Å
149D40.8Very low39.3Very low117 Ų117144.8 Ų144.863%0.62678%0.78SS**  trans-54.7121.9147.8-128.4-97.1000107.2R151D149-R151 WeakPolarHBondContact OD1-CD 3.46Å; D149-R151 IonicContact OD1-CZ 2.76Å; D149-R151 IonicContact OD1-NE 2.69Å; D149-R151 IonicContact OD1-NH1 3.71Å; D149-R151 PolarHBondContact OD1-NH1 3.4Å; D149-R151 IonicContact OD2-NH1 2.96Å; D149-R151 PolarHBondContact OD2-NH1 3.28Å
150S39Very low38.8Very low116 Ų116147.5 Ų147.581%0.81178%0.776SS**  trans-137.179.6154-69.90000105.9W148W148-S150 PolarHBondContact O-N 2.77Å
151R39.3Very low39.1Very low178 Ų178149.3 Ų149.367%0.67278%0.778SS**  trans-57.3143.4154.2-92.8168.2174.2106.2-0.5109.3D149D149-R151 WeakPolarHBondContact OD1-CD 3.46Å; D149-R151 IonicContact OD1-CZ 2.76Å; D149-R151 IonicContact OD1-NE 2.69Å; D149-R151 IonicContact OD1-NH1 3.71Å; D149-R151 PolarHBondContact OD1-NH1 3.4Å; D149-R151 IonicContact OD2-NH1 2.96Å; D149-R151 PolarHBondContact OD2-NH1 3.28Å
152D36.7Very low38.8Very low120 Ų120152.9 Ų152.964%0.64278%0.781SS**  trans74.3128.3164.9-39.8-48.5000112.7
153D40.1Very low39.1Very low139 Ų139149.2 Ų149.274%0.74378%0.778SS**  cis-160126.849-81.6-93.8000113.5
154F41.3Very low39.3Very low180 Ų180145 Ų14579%0.78978%0.78SS**  trans42.986.5132.4-59.8-93000121.5
155N44.5Very low39.2Very low164 Ų164143.4 Ų143.488%0.87778%0.782SS**  trans-16972.9133.2-146.9-79.8000113.7
156S38.8Very low39.3Very low116 Ų116144.2 Ų144.281%0.81179%0.785SS**  trans-152.766163.665.90000111.6
157G43.8Very low39.4Very low64 Ų64144 Ų14466%0.6678%0.783SS**  trans-68.4146.2145.700000108.2
158F39.3Very low39.3Very low210 Ų210144.6 Ų144.692%0.92179%0.788SS**  trans91.279.8-175.5-62.2-84.3000116.3
159R37.5Very low39.6Very low209 Ų209138.7 Ų138.779%0.78979%0.786SS**  171.692.8112.3-108.1-80.6-167.8167.1-0.8110.1
160D37.3Very low39.3Very low132 Ų132144.7 Ų144.771%0.70680%0.8SS**  trans-66.3152.2151.6-67.1-89.1000110.7
161D42.9Very low39.6Very low139 Ų139145.4 Ų145.474%0.74380%0.801SS**  trans72.862.5149.6-52-46.5000121.3
162F38.8Very low39.7Very low177 Ų177140.6 Ų140.678%0.77681%0.807SS**SBendtrans-153.6105.1142.2-140-112.4000112.4
163L43.2Very low39.7Very low151 Ų151142.1 Ų142.179%0.79182%0.815SS**SBendtrans73.494.5162.8-82.153.5000117.6
164G40Very low40Very low81 Ų81147 Ų14784%0.83582%0.823SS**  trans-171.226.1166.700000117.5R166G164-R166 PolarHBondContact O-N 3.12Å
165G36.3Very low40.2Very low84 Ų84149.1 Ų149.187%0.86683%0.826SS**  trans-87.5100.5-178.800000113.6
166R38.9Very low40.3Very low252 Ų252148.3 Ų148.395%0.95183%0.827SS**  trans-56.9131.7166176.1-179-177.5174.50.3112.4G164G164-R166 PolarHBondContact O-N 3.12Å
167G37.4Very low40.1Very low79 Ų79146 Ų14681%0.81482%0.822SS**  trans106.4124.314700000117
168G34.8Very low40.4Very low75 Ų75148.2 Ų148.277%0.77382%0.824SS**  trans168.367.4168.900000114.8R170G168-R170 PolarHBondContact O-N 3.4Å
169S40.6Very low40.9Very low129 Ų129144.4 Ų144.490%0.90282%0.821SS**  trans-58.1123.6160.4-57.80000109.6
170R34.1Very low41Very low244 Ų244142.7 Ų142.792%0.92182%0.824SS**  trans-132.4136.5158.1-77.8-169.1175.3169.60111.1G168G168-R170 PolarHBondContact O-N 3.4Å
171P45.5Very low41.3Very low130 Ų130139 Ų13984%0.84482%0.816SS**  trans-98.2150.5-165.338.7-32.3000112.2
172G41Very low41.6Very low77 Ų77138 Ų13879%0.79482%0.821SS**  trans89.297.5158.800000115.6
173D38.2Very low42.1Very low153 Ų153140.2 Ų140.282%0.81882%0.824SS**  -159.991.6113.9-155.5-84.1000109.2R175D173-R175 PolarHBondContact OD1-N 3.06Å
174R46.2Very low42.5Very low240 Ų240143 Ų14391%0.90683%0.83SS**  trans-98.7113.6149.5-73.5178.6-177.1158.40.7102.9
175R44.7Very low43.1Very low226 Ų226149.9 Ų149.985%0.85383%0.831SS**  -170.2135.9105.1-56.4-150-174.3-172.61.8111.4D173D173-R175 PolarHBondContact OD1-N 3.06Å
176T46.2Very low43.8Very low147 Ų147153.7 Ų153.790%0.90283%0.831SS**  trans131.294.5139.4-49.40000113.5
177G36.1Very low44.2Very low68 Ų68144.6 Ų144.670%0.70182%0.816SS**  trans177.9128.5164.300000111
178P50.4Low45.2Very low109 Ų109146.6 Ų146.671%0.70881%0.814SS**  trans-72.5157.9-175.530-32.4000112.1M180P178-M180 PolarHBondContact O-N 2.96Å
179P48.1Very low46Very low130 Ų130148.9 Ų148.984%0.84482%0.816SS**  trans-73.896.9-174.930.9-33000110.1G181P179-G181 PolarHBondContact O-N 3.45Å
180M41.5Very low46.5Very low174 Ų174151 Ų15186%0.85782%0.816SS**  trans-77.193.3173.6-89.6-71.4-177.300110.2P178P178-M180 PolarHBondContact O-N 2.96Å
181G42.4Very low47.3Very low53 Ų53148.7 Ų148.755%0.54681%0.807SS.*  trans42.297.9136.200000117P179 R183P179-G181 PolarHBondContact O-N 3.45Å; G181-R183 VanDerWaalsContact C-N 3.26Å; G181-R183 PolarHBondContact O-N 2.77Å
182S49.1Very low47.1Very low119 Ų119145.1 Ų145.183%0.83280%0.795SS**  trans-51.188.6152.5-51.10000110.4F184S182-F184 PolarHBondContact O-N 2.81Å
183R49.4Very low47.7Very low223 Ų223147.4 Ų147.484%0.84280%0.798SS**  trans-80.255.4169.3-70.7-174.2-170.5-1782.7111G181G181-R183 VanDerWaalsContact C-N 3.26Å; G181-R183 PolarHBondContact O-N 2.77Å
184F51.3Low48.2Very low210 Ų210146.5 Ų146.592%0.92179%0.793SS**  trans-132.163.9163.3-71.3-77.3000107.8S182S182-F184 PolarHBondContact O-N 2.81Å
185R53.4Low48.3Very low226 Ų226141.8 Ų141.885%0.85378%0.783SS**  trans-120.1138.8161.3-161.9156.4-162.1157.54.7105.6
186D50.3Low48.7Very low163 Ų163137.5 Ų137.587%0.87278%0.778SS**  trans97.541.3-176.1-47.4-46.2000117.7
187G47.7Very low49.2Very low61 Ų61138.6 Ų138.663%0.62977%0.77SS**SBendtrans-106.2143.4142.900000109.5
188P57.8Low50.8Low121 Ų121145 Ų14579%0.78677%0.773SS**  trans-58.6144.2179.325.2-32.4000109.7L190P188-L190 PolarHBondContact O-N 2.71Å
189P51.5Low51.6Low124 Ų124147.1 Ų147.181%0.80577%0.774SS**  trans-58.9128.1-177.324.4-32.4000109.3R191P189-R191 PolarHBondContact O-N 2.72Å
190L52.4Low52.5Low174 Ų174143 Ų14391%0.91175%0.747SS**  trans-54.3109.1168.5-71.8165.4000107.2P188 G192P188-L190 PolarHBondContact O-N 2.71Å; L190-G192 PolarHBondContact O-N 2.71Å
191R49.9Very low54.1Low194 Ų194137.9 Ų137.973%0.73273%0.725SS**  trans-55.4110.5179.7-161.2-178.2-144.1-162.14.1107.5P189 M195P189-R191 PolarHBondContact O-N 2.72Å; R191-M195 PolarHBondContact NH1-SD 2.74Å
192G41.3Very low55.3Low56 Ų56143.5 Ų143.558%0.57774%0.737SS**  trans-53.5153.6178.400000111.8L190 N194L190-G192 PolarHBondContact O-N 2.71Å; G192-N194 PolarHBondContact O-N 3.04Å
193S53.4Low56.2Low124 Ų124145 Ų14587%0.86773%0.731SS**SBendtrans-57.775174.5-50.30000112.2
194N49Very low57.1Low134 Ų134139.3 Ų139.372%0.71771%0.714SS**  trans-17482.3159.3-86.3-20.8000107.3G192 D196G192-N194 PolarHBondContact O-N 3.04Å; N194-D196 VanDerWaalsContact C-N 3.29Å; N194-D196 PolarHBondContact O-N 2.88Å
195M47.5Very low57.8Low141 Ų141137.4 Ų137.470%0.69570%0.701SS**  trans-79.392.8151.4-64.3-156.1-15600105.7R191 F197R191-M195 PolarHBondContact NH1-SD 2.74Å; M195-F197 PolarHBondContact O-N 3.46Å
196D54.8Low58.7Low137 Ų137129.7 Ų129.773%0.73369%0.686SS**  trans-62.293.6160.2-72.4-72000106.9N194 R198N194-D196 VanDerWaalsContact C-N 3.29Å; N194-D196 PolarHBondContact O-N 2.88Å; D196-R198 PolarHBondContact O-N 2.7Å
197F56.7Low59.8Low170 Ų170129.7 Ų129.775%0.74668%0.68SS**  trans-59.393.7159.7176-102.4000106.1M195 E199M195-F197 PolarHBondContact O-N 3.46Å; F197-E199 HydrophobicContact CD1-CG 3.95Å; F197-E199 HydrophobicContact CE1-CG 3.8Å; F197-E199 PolarHBondContact O-N 2.64Å
198R70Confident60.9Low203 Ų203134.7 Ų134.777%0.76668%0.68SS**  trans-68104.7174.5-175.7174.4179.8175.4-0.8107D196D196-R198 PolarHBondContact O-N 2.7Å
199E66.3Low61.8Low153 Ų153135.1 Ų135.172%0.71568%0.683SS**PPolyproline II helixtrans-57.3124.9170.6-72.7-166134.800108.5F197 T201F197-E199 HydrophobicContact CD1-CG 3.95Å; F197-E199 HydrophobicContact CE1-CG 3.8Å; F197-E199 PolarHBondContact O-N 2.64Å; E199-T201 PolarHBondContact O-N 3.02Å
200P66.8Low63Low44 Ų44139.2 Ų139.229%0.28668%0.682SS.*PPolyproline II helixtrans-63.4131.6179.323.8-30.9000108.9E204 R205P200-E204 HydrophobicContact CB-CB 4.43Å; P200-R205 HydrophobicContact CB-CG 4.38Å; P200-R205 HydrophobicContact CG-CG 4.24Å
201T76.1Confident64Low65 Ų65137.9 Ų137.940%0.39968%0.675SS.*PPolyproline II helixtrans-62155.9-177.755.80000110.4E199 E203 E204 R205E199-T201 PolarHBondContact O-N 3.02Å; T201-E203 PolarHBondContact O-N 2.79Å; T201-E204 PolarHBondContact O-N 3.42Å; T201-R205 PolarHBondContact O-N 2.74Å
202E67Low65.2Low172 Ų172137.3 Ų137.380%0.80468%0.681SS**Hα-helixtrans-56-29.5-175.8-159.7166.1139.200112.5R205 A206E202-R205 PolarHBondContact O-N 2.98Å; E202-A206 WeakPolarHBondContact O-CB 3.1Å; E202-A206 PolarHBondContact O-N 3.02Å
203E67.6Low66.6Low150 Ų150141.7 Ų141.770%0.70169%0.69SS**Hα-helixtrans-67.9-41.3176.3-55.8-179.4149.900112.7T201 R205 A206 Q207T201-E203 PolarHBondContact O-N 2.79Å; E203-R205 VanDerWaalsContact C-N 3.34Å; E203-A206 PolarHBondContact O-N 2.97Å; E203-Q207 PolarHBondContact O-N 3.49Å
204E68.5Low67.9Low104 Ų104144.9 Ų144.949%0.48669%0.689SS.*Hα-helixtrans-72.3-28.5175.8-75.2-171.9103.300112.1P200 T201P200-E204 HydrophobicContact CB-CB 4.43Å; T201-E204 PolarHBondContact O-N 3.42Å
205R67.1Low69.2Low169 Ų169144.1 Ų144.164%0.63869%0.691SS**Hα-helixtrans-73-32173.9-62.8178.997.5-179.58.7111.5P200 T201 E202 E203P200-R205 HydrophobicContact CB-CG 4.38Å; P200-R205 HydrophobicContact CG-CG 4.24Å; T201-R205 PolarHBondContact O-N 2.74Å; E202-R205 PolarHBondContact O-N 2.98Å; E203-R205 VanDerWaalsContact C-N 3.34Å
206A70.3Confident69.7Low65 Ų65147.8 Ų147.854%0.53770%0.697SS.*Hα-helixtrans-73.3-26177.100000113.6E202 E203 R208E202-A206 WeakPolarHBondContact O-CB 3.1Å; E202-A206 PolarHBondContact O-N 3.02Å; E203-A206 PolarHBondContact O-N 2.97Å; A206-R208 VanDerWaalsContact C-N 3.31Å
207Q74.4Confident70.3Confident163 Ų163148.1 Ų148.176%0.76270%0.704SS**THydrogen-bonded Turntrans-79.6-8.7177-72.7176.77.600114.1E203E203-Q207 PolarHBondContact O-N 3.49Å
208R70.3Confident70.7Confident166 Ų166144.1 Ų144.163%0.62669%0.694SS**SBendtrans-73.9132.5173.9-65.3-177.2177.6-156.4-2.1109.8A206 R210A206-R208 VanDerWaalsContact C-N 3.31Å; R208-R210 PolarHBondContact O-N 2.84Å
209P78Confident70.3Confident130 Ų130139.2 Ų139.284%0.84470%0.697SS**  trans-59.9112.6179.624.2-32.9000109.8L211P209-L211 PolarHBondContact O-N 2.78Å
210R75.1Confident70.4Confident209 Ų209136.1 Ų136.179%0.78969%0.688SS**  trans-75.9116.2-178.6-60.8-178.786118.8-2.7108.7R208 Q212R208-R210 PolarHBondContact O-N 2.84Å; R210-Q212 PolarHBondContact O-N 2.89Å; R210-Q212 VanDerWaalsContact O-N 3.14Å
211L75Confident70.1Confident146 Ų146138.7 Ų138.776%0.76471%0.705SS**  trans-63.3112.7174.3-175.367.3000109.2P209 L213P209-L211 PolarHBondContact O-N 2.78Å; L211-L213 HydrophobicContact CD2-CD1 4.15Å; L211-L213 HydrophobicContact CD2-CG 4.47Å; L211-L213 HydrophobicContact CG-CD1 4.25Å; L211-L213 PolarHBondContact O-N 2.66Å; L211-L213 VanDerWaalsContact O-N 3.1Å
212Q74.1Confident69.2Low183 Ų183144.2 Ų144.286%0.85573%0.731SS**  trans-78.792.3175.8-64.1-175.89.800109R210 K214R210-Q212 PolarHBondContact O-N 2.89Å; R210-Q212 VanDerWaalsContact O-N 3.14Å; Q212-K214 PolarHBondContact O-N 3.31Å
213L70.8Confident68.8Low147 Ų147143.7 Ų143.777%0.7773%0.734SS**PPolyproline II helixtrans-69.4122.2171.8-74.5100.5000109.2L211L211-L213 HydrophobicContact CD2-CD1 4.15Å; L211-L213 HydrophobicContact CD2-CG 4.47Å; L211-L213 HydrophobicContact CG-CD1 4.25Å; L211-L213 PolarHBondContact O-N 2.66Å; L211-L213 VanDerWaalsContact O-N 3.1Å
214K81.3Confident68.5Low192 Ų192143.5 Ų143.584%0.83573%0.733SS**PPolyproline II helixtrans-58.5144.7167.9-66179.5-179.4177.90108.8Q212 R216Q212-K214 PolarHBondContact O-N 3.31Å; K214-R216 PolarHBondContact O-N 3.01Å
215P75.1Confident68.2Low118 Ų118145 Ų14577%0.76675%0.748SS**PPolyproline II helixtrans-56.7135.117824.4-33.4000109.5T217P215-T217 PolarHBondContact O-N 3.41Å
216R59.8Low67.9Low218 Ų218140.8 Ų140.882%0.82375%0.75SS**PPolyproline II helixtrans-48.2129174.256-178.1179173.91.2109.8K214 V218K214-R216 PolarHBondContact O-N 3.01Å; R216-V218 PolarHBondContact O-N 2.66Å
217T66.3Low67.5Low143 Ų143143.7 Ų143.788%0.87776%0.756SS**SBendtrans-79.3-0.2-178.948.70000113.3P215P215-T217 PolarHBondContact O-N 3.41Å
218V65.8Low67Low87 Ų87141.4 Ų141.453%0.52776%0.756SS.*  trans-118.8113.4-179.6-173.90000108.8R216 T220R216-V218 PolarHBondContact O-N 2.66Å; V218-T220 VanDerWaalsContact CG1-OG1 3.24Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.05Å
219A61.8Low66.6Low100 Ų100141.1 Ų141.183%0.82677%0.767SS**  trans-88.6-0.9-177.400000113.7
220T66.6Low66Low88 Ų88138.4 Ų138.454%0.5475%0.751SS.*SBendtrans-90138.7-175.243.40000112.7V218V218-T220 VanDerWaalsContact CG1-OG1 3.24Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.05Å
221P61.4Low65.4Low97 Ų97132.5 Ų132.563%0.6375%0.747SS**  trans-72.7145.7179.129.3-33.6000112N223P221-N223 PolarHBondContact O-N 3.43Å
222L56.3Low64.8Low182 Ų182132.8 Ų132.895%0.95375%0.747SS**THydrogen-bonded Turntrans-63.211.4-167.7-153.982.3000116.6
223N60.1Low64.2Low160 Ų160132.6 Ų132.686%0.85674%0.744SS**THydrogen-bonded Turntrans-13827.6-172.4-112.52.3000114P221 V225P221-N223 PolarHBondContact O-N 3.43Å; N223-V225 PolarHBondContact O-N 2.79Å
224Q60.6Low63.8Low147 Ų147128.7 Ų128.769%0.68774%0.739SS**  trans-81114.7161.5-91.7175.4-9.400108.9A226Q224-A226 PolarHBondContact O-N 2.76Å; Q224-A226 VanDerWaalsContact O-N 3.12Å
225V61.5Low63.1Low134 Ų134123.6 Ų123.681%0.81274%0.741SS**PPolyproline II helixtrans-47.8118.8168.2-170.30000107.4N223 N227N223-V225 PolarHBondContact O-N 2.79Å; V225-N227 PolarHBondContact O-N 3.12Å
226A61.3Low62.4Low81 Ų81122.4 Ų122.467%0.66974%0.741SS**PPolyproline II helixtrans-54.1131.9176.100000108.8Q224 P228Q224-A226 PolarHBondContact O-N 2.76Å; Q224-A226 VanDerWaalsContact O-N 3.12Å; A226-P228 WeakPolarHBondContact O-CD 3.42Å; A226-P228 VanDerWaalsContact O-N 3.07Å
227N61.8Low62.6Low126 Ų126123.2 Ų123.267%0.67474%0.744SS**PPolyproline II helixtrans-52.5116.9-179.1-105.2-31.6000109.7V225 N229 S230V225-N227 PolarHBondContact O-N 3.12Å; N227-N229 PolarHBondContact O-N 3.33Å; N227-S230 PolarHBondContact O-N 2.94Å; N227-S230 VanDerWaalsContact O-N 3.13Å; N227-S230 PolarHBondContact O-OG 2.73Å
228P64.9Low62.4Low116 Ų116122.1 Ų122.175%0.75374%0.74SS**THydrogen-bonded Turntrans-68.1-11-175.427.6-35.1000113A226A226-P228 WeakPolarHBondContact O-CD 3.42Å; A226-P228 VanDerWaalsContact O-N 3.07Å
229N60.5Low62.4Low160 Ų160129 Ų12986%0.85676%0.756SS**THydrogen-bonded Turntrans-92.24177.6-73.5-31.7000114.2N227N227-N229 PolarHBondContact O-N 3.33Å
230S65.4Low62.6Low73 Ų73133 Ų13351%0.5176%0.758SS.*SBendtrans-89.9118.6172.459.30000109.9N227 I232N227-S230 PolarHBondContact O-N 2.94Å; N227-S230 VanDerWaalsContact O-N 3.13Å; N227-S230 PolarHBondContact O-OG 2.73Å; S230-I232 PolarHBondContact O-N 3.11Å; S230-I232 VanDerWaalsContact O-N 3.12Å
231A63.5Low62.3Low84 Ų84137.1 Ų137.169%0.69477%0.771SS**  trans-60.7115.1177.300000109.6F233A231-F233 PolarHBondContact O-N 3.06Å
232I62.8Low62.3Low152 Ų152138.7 Ų138.778%0.77978%0.778SS**SBendtrans-62.5-26.2-177.7-68.5-169.3000111.9S230S230-I232 PolarHBondContact O-N 3.11Å; S230-I232 VanDerWaalsContact O-N 3.12Å
233F60.8Low62.4Low180 Ų180136 Ų13679%0.78977%0.769SS**SBendtrans-109.6115.7171-62.6-84.2000107.9A231A231-F233 PolarHBondContact O-N 3.06Å
234G62.3Low62.3Low65 Ų65136 Ų13667%0.6776%0.764SS**  trans-52.3146177.300000111.2A236G234-A236 PolarHBondContact O-N 3.18Å
235G66.1Low62Low84 Ų84138 Ų13887%0.86677%0.771SS**  trans-63.659-167.800000116.8
236A59.8Low61.6Low93 Ų93140 Ų14077%0.76977%0.771SS**PPolyproline II helixtrans-74121.1168.500000109.2G234G234-A236 PolarHBondContact O-N 3.18Å
237R64Low60.9Low236 Ų236144.9 Ų144.989%0.89178%0.78SS**PPolyproline II helixtrans-78.2137.9173.5-59.6-177.8-167.8-176.52.9109.1
238P64Low60.1Low120 Ų120151.8 Ų151.878%0.77981%0.808SS**PPolyproline II helixtrans-62.2138.9172.126.5-31.9000109.7E240P238-E240 PolarHBondContact O-N 3.13Å
239R65.1Low59.8Low232 Ų232153.6 Ų153.688%0.87581%0.811SS**  trans-76112179.8-164.8-175.9-168.2-167.12.5108.3E241R239-E241 PolarHBondContact O-N 2.96Å
240E65.1Low59.8Low183 Ų183153.2 Ų153.286%0.85581%0.808SS**  trans-69.3114.5170.3-67-177.9133.900108.7P238P238-E240 PolarHBondContact O-N 3.13Å
241E61.8Low59.5Low174 Ų174157.7 Ų157.781%0.81383%0.825SS**  trans-78.7119.6165.8-76.7-167.5137.600109R239 V243R239-E241 PolarHBondContact O-N 2.96Å; E241-V243 PolarHBondContact O-N 2.96Å
242V59.6Low59.2Low130 Ų130162 Ų16279%0.78883%0.833SS**  trans-72.9103.9175.51800000108.4Q244V242-Q244 PolarHBondContact O-N 3.46Å; V242-Q244 VanDerWaalsContact O-N 3.16Å
243V59.5Low59Low127 Ų127162.6 Ų162.677%0.7784%0.836SS**  trans-71.2105.7167179.80000107.7E241 K245E241-V243 PolarHBondContact O-N 2.96Å; V243-K245 PolarHBondContact O-N 3.01Å; V243-K245 VanDerWaalsContact O-N 3.14Å
244Q56.9Low58.9Low160 Ų160161.5 Ų161.575%0.74884%0.839SS**  trans-66109.2169.4-69.7179.3-700108.6V242V242-Q244 PolarHBondContact O-N 3.46Å; V242-Q244 VanDerWaalsContact O-N 3.16Å
245K54.8Low58.7Low189 Ų189168.4 Ų168.482%0.82285%0.851SS**  trans-84.2104.4158.5-79.1-175.4176.9-179.80107.1V243V243-K245 PolarHBondContact O-N 3.01Å; V243-K245 VanDerWaalsContact O-N 3.14Å
246E53Low58.1Low175 Ų175174.8 Ų174.882%0.81885%0.85SS**  trans-98.9115.9157.8-74.6-172.1101.100108.3
247Q47Very low57.9Low184 Ų184181.7 Ų181.786%0.8686%0.857SS**  trans-81.7125.2159.6-65.6170.41000106.4
248E44.5Very low57.4Low270 Ų270176.7 Ų176.7100%1.26285%0.854SS**  -173.20122.5-165.5159.986.500109.6

Retrieved 248 of 248 residues in 214.5 ms (Link to these results)