A0A096M903_POEFO Loading...

Ets2 repressor factor

AlphaFold DB , UniProt , Accession A0A096M903, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 567 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
1N34.4Very low40.5Very low192 Ų192112.9 Ų112.9100%1.02769%0.687SS**  0990-5819.5000108.7D3N1-D3 WeakPolarHBondContact CA-OD2 3.28Å; N1-D3 VanDerWaalsContact CB-OD2 3.28Å; N1-D3 WeakPolarHBondContact CB-OD2 3.13Å; N1-D3 PolarHBondContact O-N 2.89Å
2P37.9Very low41.6Very low125 Ų125107.4 Ų107.481%0.81265%0.645SS**  trans-78.825168.535.8-35.9000112.7S4P2-S4 PolarHBondContact O-N 2.8Å
3D39.3Very low42.3Very low128 Ų128101.5 Ų101.568%0.68462%0.615SS**  trans-99.659.8-162.1-51.1-75.2000112.2N1N1-D3 WeakPolarHBondContact CA-OD2 3.28Å; N1-D3 VanDerWaalsContact CB-OD2 3.28Å; N1-D3 WeakPolarHBondContact CB-OD2 3.13Å; N1-D3 PolarHBondContact O-N 2.89Å
4S35.3Very low43Very low107 Ų107102.3 Ų102.375%0.74860%0.602SS**  trans-151.384.7162.2-170.40000109.6P2 G6P2-S4 PolarHBondContact O-N 2.8Å; S4-G6 PolarHBondContact O-N 2.94Å
5A41.7Very low43.2Very low102 Ų102103.9 Ų103.984%0.84360%0.599SS**  trans-7255.4166.400000110.4F7A5-F7 PolarHBondContact O-N 3.27Å
6G37.7Very low43.2Very low53 Ų53103.3 Ų103.355%0.54660%0.6SS.*  trans-64.1119.3178.300000110S4 A8S4-G6 PolarHBondContact O-N 2.94Å; G6-A8 PolarHBondContact O-N 3.23Å
7F39.9Very low43.5Very low142 Ų142104.8 Ų104.862%0.62360%0.6SS**  trans-51.6105.4179.5-72.4-91.6000111A5 F9 Y50A5-F7 PolarHBondContact O-N 3.27Å; F7-F9 VanDerWaalsContact C-N 3.29Å; F7-F9 HydrophobicContact CB-CD2 4.21Å; F7-F9 HydrophobicContact CB-CE2 3.73Å; F7-F9 HydrophobicContact CB-CZ 4.31Å; F7-F9 WeakPolarHBondContact O-CD2 3.42Å; F7-F9 PolarHBondContact O-N 2.88Å; F7-Y50 HydrophobicContact CD1-CE2 4.14Å; F7-Y50 HydrophobicContact CE1-CD2 4.42Å; F7-Y50 AromaticContact CE1-CE2 3.71Å; F7-Y50 HydrophobicContact CE1-CE2 3.71Å; F7-Y50 HydrophobicContact CZ-CE2 4.44Å
8A44.2Very low43.7Very low101 Ų101100.1 Ų100.184%0.83557%0.574SS**  trans-7678.8-17600000110.6G6G6-A8 PolarHBondContact O-N 3.23Å
9F44.7Very low44Very low66 Ų6697.4 Ų97.429%0.28956%0.562SS.*  trans-62.4138.3175.4-73.4-79.5000111F7 F106F7-F9 VanDerWaalsContact C-N 3.29Å; F7-F9 HydrophobicContact CB-CD2 4.21Å; F7-F9 HydrophobicContact CB-CE2 3.73Å; F7-F9 HydrophobicContact CB-CZ 4.31Å; F7-F9 WeakPolarHBondContact O-CD2 3.42Å; F7-F9 PolarHBondContact O-N 2.88Å; F9-F106 HydrophobicContact CE1-CD1 4.49Å; F9-F106 AromaticContact CE1-CE1 3.81Å; F9-F106 HydrophobicContact CE1-CE1 3.81Å; F9-F106 AromaticContact CE1-CZ 3.97Å; F9-F106 HydrophobicContact CE1-CZ 3.97Å; F9-F106 HydrophobicContact CZ-CE1 4.5Å; F9-F106 HydrophobicContact CZ-CZ 4.24Å
10P49.3Very low44.5Very low53 Ų5397.1 Ų97.134%0.34456%0.563SS.*  trans-56.7146-174.5-28.335.4000114.5W12 A13P10-W12 HydrophobicContact CB-CD2 4.45Å; P10-W12 HydrophobicContact CB-CG 4.19Å; P10-W12 PolarHBondContact O-N 3.16Å; P10-A13 VanDerWaalsContact O-CB 3.32Å; P10-A13 WeakPolarHBondContact O-CB 3.26Å; P10-A13 PolarHBondContact O-N 2.78Å
11E41.2Very low45.2Very low173 Ų17395.1 Ų95.181%0.80856%0.564SS**G310 helixtrans-53.2-29.6-178.8-170.2-179-174.200113.8A13 Y14E11-A13 PolarHBondContact O-N 2.87Å; E11-A13 VanDerWaalsContact O-N 3.08Å; E11-Y14 WeakPolarHBondContact O-CA 3.29Å; E11-Y14 WeakPolarHBondContact O-CB 3.28Å; E11-Y14 PolarHBondContact O-N 3.41Å
12W54Low46.9Very low47 Ų4787.2 Ų87.218%0.17852%0.524CS..G310 helixtrans-59.6-21.8176.565-116.2000113.8P10 Y14 K15 W28 N113P10-W12 HydrophobicContact CB-CD2 4.45Å; P10-W12 HydrophobicContact CB-CG 4.19Å; P10-W12 PolarHBondContact O-N 3.16Å; W12-Y14 PolarHBondContact O-N 2.91Å; W12-K15 VanDerWaalsContact O-CG 3.26Å; W12-K15 WeakPolarHBondContact O-CG 3.28Å; W12-K15 PolarHBondContact O-N 3.13Å; W12-W28 HydrophobicContact CH2-CH2 4.19Å; W12-W28 AromaticContact CZ3-CH2 3.93Å; W12-W28 HydrophobicContact CZ3-CH2 3.93Å; W12-W28 HydrophobicContact CZ3-CZ3 4.45Å; W12-N113 HydrophobicContact CD2-CB 3.66Å; W12-N113 HydrophobicContact CE3-CB 3.88Å; W12-N113 HydrophobicContact CG-CB 4.25Å; W12-N113 HydrophobicContact CH2-CB 3.98Å; W12-N113 HydrophobicContact CZ2-CB 3.7Å; W12-N113 HydrophobicContact CZ3-CB 4.07Å; W12-N113 WeakPolarHBondContact CZ3-ND2 3.21Å
13A50.3Low48.8Very low31 Ų3189.4 Ų89.426%0.25652%0.516SS..G310 helixtrans-63.3-20.4173.100000112.4P10 E11P10-A13 VanDerWaalsContact O-CB 3.32Å; P10-A13 WeakPolarHBondContact O-CB 3.26Å; P10-A13 PolarHBondContact O-N 2.78Å; E11-A13 PolarHBondContact O-N 2.87Å; E11-A13 VanDerWaalsContact O-N 3.08Å
14Y51.5Low51Low112 Ų11289.8 Ų89.844%0.43951%0.514SS..G310 helixtrans-105.122.8-179.7-55.5-88000113.3E11 W12 R36E11-Y14 WeakPolarHBondContact O-CA 3.29Å; E11-Y14 WeakPolarHBondContact O-CB 3.28Å; E11-Y14 PolarHBondContact O-N 3.41Å; W12-Y14 PolarHBondContact O-N 2.91Å; Y14-R36 VanDerWaalsContact OH-CZ 3.28Å; Y14-R36 PolarHBondContact OH-NH1 2.68Å
15K46.8Very low53.6Low127 Ų12784.9 Ų84.955%0.55248%0.479SS*.  trans-48.9139.1166.3-75.6-80.8-176.5-1780109.6W12 E17 S18 S19W12-K15 VanDerWaalsContact O-CG 3.26Å; W12-K15 WeakPolarHBondContact O-CG 3.28Å; W12-K15 PolarHBondContact O-N 3.13Å; K15-E17 PolarHBondContact O-N 2.68Å; K15-E17 VanDerWaalsContact O-N 3.12Å; K15-S18 CarbonylContact O-C 3.56Å; K15-S18 WeakPolarHBondContact O-CA 3.26Å; K15-S18 WeakPolarHBondContact O-CB 3.36Å; K15-S18 PolarHBondContact O-N 3.01Å; K15-S19 PolarHBondContact O-N 3.07Å
16P43.2Very low56.1Low94 Ų9484.4 Ų84.461%0.6146%0.459SS*.G310 helixtrans-62.3-27.3-171.122.1-33.3000114.2S18 S19P16-S18 PolarHBondContact O-N 3.32Å; P16-S19 WeakPolarHBondContact CA-OG 3.5Å; P16-S19 VanDerWaalsContact O-CB 3.32Å; P16-S19 WeakPolarHBondContact O-CB 3.23Å; P16-S19 PolarHBondContact O-N 2.91Å; P16-S19 VanDerWaalsContact O-N 3.12Å; P16-S19 PolarHBondContact O-OG 2.86Å
17E47.9Very low58.9Low129 Ų12982 Ų8260%0.60343%0.434SS*.G310 helixtrans-56.6-29.4169.7-49.6-56.5151.700113.2K15 S22K15-E17 PolarHBondContact O-N 2.68Å; K15-E17 VanDerWaalsContact O-N 3.12Å; E17-S22 VanDerWaalsContact O-CB 3.27Å; E17-S22 WeakPolarHBondContact O-CB 3.3Å; E17-S22 PolarHBondContact O-OG 3.25Å
18S48.1Very low61.5Low20 Ų2075.9 Ų75.914%0.1441%0.407CS..G310 helixtrans-101.52.6-179.6-61.10000113.4K15 P16K15-S18 CarbonylContact O-C 3.56Å; K15-S18 WeakPolarHBondContact O-CA 3.26Å; K15-S18 WeakPolarHBondContact O-CB 3.36Å; K15-S18 PolarHBondContact O-N 3.01Å; P16-S18 PolarHBondContact O-N 3.32Å
19S49.5Very low63.9Low49 Ų4972.1 Ų72.134%0.34337%0.372SS..SBendtrans-50142.3-179.7-76.50000112.3K15 P16 G21 S22K15-S19 PolarHBondContact O-N 3.07Å; P16-S19 WeakPolarHBondContact CA-OG 3.5Å; P16-S19 VanDerWaalsContact O-CB 3.32Å; P16-S19 WeakPolarHBondContact O-CB 3.23Å; P16-S19 PolarHBondContact O-N 2.91Å; P16-S19 VanDerWaalsContact O-N 3.12Å; P16-S19 PolarHBondContact O-OG 2.86Å; S19-G21 PolarHBondContact O-N 3.13Å; S19-G21 VanDerWaalsContact O-N 3.11Å; S19-S22 WeakPolarHBondContact O-CB 3.42Å; S19-S22 PolarHBondContact O-N 2.63Å
20P53.7Low66.3Low90 Ų9069.1 Ų69.158%0.58436%0.359SS*.THydrogen-bonded Turntrans-52.3119.4172.8-27.536000111.1
21G59.2Low68.6Low56 Ų5666.6 Ų66.658%0.57734%0.342SS*.THydrogen-bonded Turntrans99.2-13.9-173.200000115.7S19 R23S19-G21 PolarHBondContact O-N 3.13Å; S19-G21 VanDerWaalsContact O-N 3.11Å; G21-R23 PolarHBondContact O-N 2.83Å
22S70.5Confident71.1Confident27 Ų2760 Ų6019%0.18931%0.313CS..  trans-60.6129.6170.61730000110.9E17 S19 Q24 I25E17-S22 VanDerWaalsContact O-CB 3.27Å; E17-S22 WeakPolarHBondContact O-CB 3.3Å; E17-S22 PolarHBondContact O-OG 3.25Å; S19-S22 WeakPolarHBondContact O-CB 3.42Å; S19-S22 PolarHBondContact O-N 2.63Å; S22-Q24 PolarHBondContact O-N 3.25Å; S22-Q24 PolarHBondContact OG-N 3.47Å; S22-I25 VanDerWaalsContact O-CG2 3.24Å; S22-I25 WeakPolarHBondContact O-CG2 3.28Å
23R76.3Confident73Confident170 Ų17058.9 Ų58.964%0.64231%0.309SS*.THydrogen-bonded Turntrans-74.7-10.7172.3-62.7-172.6-173.9-162.40.5112.6G21 K69 C70G21-R23 PolarHBondContact O-N 2.83Å; R23-K69 WeakPolarHBondContact O-CD 3.34Å; R23-K69 WeakPolarHBondContact O-CE 3.37Å; R23-K69 PolarHBondContact O-NZ 3.38Å; R23-C70 PolarHBondContact NH1-SG 3.44Å; R23-C70 PolarHBondContact NH2-SG 2.9Å
24Q86.2Confident75.2Confident136 Ų13657.5 Ų57.564%0.63630%0.297SS*.THydrogen-bonded Turntrans-87.5-13.1-178.7-172.158.6-5.500113.6S22S22-Q24 PolarHBondContact O-N 3.25Å; S22-Q24 PolarHBondContact OG-N 3.47Å
25I90.1Very high77.3Confident4 Ų452.9 Ų52.92%0.02128%0.28CS..  trans-47142.3177.6-165.6170.6000113.6S22 H29 F30 E33 W65 R68 K69S22-I25 VanDerWaalsContact O-CG2 3.24Å; S22-I25 WeakPolarHBondContact O-CG2 3.28Å; I25-H29 HydrophobicContact CD1-CB 4.19Å; I25-H29 HydrophobicContact CG1-CB 3.82Å; I25-F30 HydrophobicContact CD1-CB 4.04Å; I25-F30 HydrophobicContact CG1-CB 4.36Å; I25-E33 WeakPolarHBondContact CD1-OE2 3.32Å; I25-W65 HydrophobicContact CG2-CZ3 4.11Å; I25-W65 WeakPolarHBondContact O-CH2 3.48Å; I25-R68 HydrophobicContact CG2-CG 3.71Å; I25-K69 HydrophobicContact CG2-CD 4.34Å; I25-K69 PolarHBondContact O-NZ 3.16Å
26Q93.6Very high79.4Confident92 Ų9253.8 Ų53.843%0.4328%0.28SS..  trans-90.9151.9176.9-54-177.723.700110.9W28 H29 F30Q26-W28 VanDerWaalsContact C-N 3.28Å; Q26-W28 PolarHBondContact O-N 3.36Å; Q26-H29 PolarHBondContact O-N 3.46Å; Q26-H29 VanDerWaalsContact O-N 3.11Å; Q26-F30 PolarHBondContact O-N 3.48Å
27L96Very high81.7Confident3 Ų352.7 Ų52.72%0.01627%0.266CS..Hα-helixtrans-56.3-39.2-175.3175.163.7000113.1F30 I31 W65 L79 A82 L83 Y86L27-F30 HydrophobicContact CD1-CD1 4.15Å; L27-F30 PolarHBondContact O-N 3.23Å; L27-I31 HydrophobicContact CD1-CD1 3.96Å; L27-I31 HydrophobicContact CD1-CG1 4.17Å; L27-I31 HydrophobicContact CG-CD1 3.97Å; L27-I31 WeakPolarHBondContact O-CG1 3.4Å; L27-I31 PolarHBondContact O-N 3.36Å; L27-W65 HydrophobicContact CB-CH2 3.96Å; L27-W65 HydrophobicContact CB-CZ2 3.77Å; L27-W65 HydrophobicContact CB-CZ3 4.49Å; L27-W65 HydrophobicContact CD1-CD2 3.77Å; L27-W65 HydrophobicContact CD1-CE3 4.14Å; L27-W65 HydrophobicContact CD1-CG 4.01Å; L27-W65 HydrophobicContact CD1-CZ2 4.34Å; L27-L79 HydrophobicContact CD1-CD1 3.97Å; L27-L79 HydrophobicContact CD1-CD2 4.24Å; L27-L79 HydrophobicContact CD1-CG 3.9Å; L27-L79 HydrophobicContact CD2-CD2 4.02Å; L27-L79 HydrophobicContact CD2-CG 3.92Å; L27-A82 HydrophobicContact CD2-CB 3.65Å; L27-L83 HydrophobicContact CD2-CD2 3.73Å; L27-L83 HydrophobicContact CD2-CG 4.19Å; L27-L83 HydrophobicContact CG-CD2 4.3Å; L27-Y86 HydrophobicContact CB-CE2 4.09Å; L27-Y86 HydrophobicContact CD2-CE2 4.26Å; L27-Y86 HydrophobicContact CG-CE2 4.32Å
28W95.1Very high83.8Confident13 Ų1355.1 Ų55.15%0.04928%0.277CS..Hα-helixtrans-69.4-36.4179.572.9-90.9000113.4W12 Q26 L32 Y86 I91 L92 F104 L109W12-W28 HydrophobicContact CH2-CH2 4.19Å; W12-W28 AromaticContact CZ3-CH2 3.93Å; W12-W28 HydrophobicContact CZ3-CH2 3.93Å; W12-W28 HydrophobicContact CZ3-CZ3 4.45Å; Q26-W28 VanDerWaalsContact C-N 3.28Å; Q26-W28 PolarHBondContact O-N 3.36Å; W28-L32 HydrophobicContact CE3-CD1 3.81Å; W28-L32 HydrophobicContact CZ3-CD1 3.86Å; W28-L32 WeakPolarHBondContact O-CG 3.45Å; W28-L32 PolarHBondContact O-N 2.99Å; W28-L32 VanDerWaalsContact O-N 3.16Å; W28-Y86 HydrophobicContact CB-CD2 4.32Å; W28-Y86 HydrophobicContact CB-CE2 3.83Å; W28-Y86 AromaticContact CD1-CZ 3.76Å; W28-I91 HydrophobicContact CB-CG2 4.02Å; W28-I91 HydrophobicContact CD2-CG2 4.14Å; W28-I91 HydrophobicContact CG-CG2 3.91Å; W28-L92 HydrophobicContact CB-CD1 4.1Å; W28-F104 HydrophobicContact CB-CE1 4.24Å; W28-F104 HydrophobicContact CE3-CE1 4.41Å; W28-L109 HydrophobicContact CD2-CD2 4.45Å; W28-L109 HydrophobicContact CE3-CD1 4.04Å; W28-L109 HydrophobicContact CE3-CD2 4.09Å; W28-L109 HydrophobicContact CH2-CD2 3.75Å; W28-L109 HydrophobicContact CZ2-CD2 4.14Å; W28-L109 HydrophobicContact CZ3-CD1 3.86Å; W28-L109 HydrophobicContact CZ3-CD2 3.74Å; W28-L109 HydrophobicContact CZ3-CG 4.35Å
29H93.9Very high86.1Confident22 Ų2260 Ų6010%0.10230%0.298CS..Hα-helixtrans-64.7-43.5170.8-70.5115.7000110.9I25 Q26 I31 L32 E33I25-H29 HydrophobicContact CD1-CB 4.19Å; I25-H29 HydrophobicContact CG1-CB 3.82Å; Q26-H29 PolarHBondContact O-N 3.46Å; Q26-H29 VanDerWaalsContact O-N 3.11Å; H29-I31 PolarHBondContact O-N 3.39Å; H29-L32 PolarHBondContact O-N 2.68Å; H29-E33 PolarHBondContact O-N 3.41Å
30F95.8Very high88.3Confident3 Ų360 Ų601%0.01329%0.291CS..Hα-helixtrans-62.3-40.1177.7169.1-99.2000112.5I25 Q26 L27 E33 L34 L64 W65 R68I25-F30 HydrophobicContact CD1-CB 4.04Å; I25-F30 HydrophobicContact CG1-CB 4.36Å; Q26-F30 PolarHBondContact O-N 3.48Å; L27-F30 HydrophobicContact CD1-CD1 4.15Å; L27-F30 PolarHBondContact O-N 3.23Å; F30-E33 WeakPolarHBondContact O-CB 3.41Å; F30-E33 PolarHBondContact O-N 2.99Å; F30-E33 VanDerWaalsContact O-N 3.16Å; F30-L34 HydrophobicContact CD1-CD1 4.35Å; F30-L34 HydrophobicContact CE1-CD1 3.61Å; F30-L34 HydrophobicContact CE1-CG 4.1Å; F30-L34 HydrophobicContact CE2-CD2 4.05Å; F30-L34 HydrophobicContact CE2-CG 4.26Å; F30-L34 HydrophobicContact CZ-CD1 3.72Å; F30-L34 HydrophobicContact CZ-CD2 3.94Å; F30-L34 HydrophobicContact CZ-CG 3.95Å; F30-L34 PolarHBondContact O-N 2.96Å; F30-L64 HydrophobicContact CZ-CB 3.84Å; F30-W65 HydrophobicContact CB-CE3 3.93Å; F30-W65 HydrophobicContact CB-CZ3 3.69Å; F30-W65 HydrophobicContact CD1-CB 4.32Å; F30-W65 HydrophobicContact CD1-CD2 4.23Å; F30-W65 AromaticContact CD1-CE3 3.48Å; F30-W65 HydrophobicContact CD1-CE3 3.48Å; F30-W65 VanDerWaalsContact CD1-CE3 3.48Å; F30-W65 HydrophobicContact CD1-CZ3 4.15Å; F30-W65 HydrophobicContact CD2-CE3 4.12Å; F30-W65 HydrophobicContact CD2-CZ3 4.47Å; F30-W65 HydrophobicContact CE1-CB 3.71Å; F30-W65 HydrophobicContact CE1-CD2 4.47Å; F30-W65 AromaticContact CE1-CE3 3.96Å; F30-W65 HydrophobicContact CE1-CE3 3.96Å; F30-W65 HydrophobicContact CE1-CG 4.42Å; F30-W65 AromaticContact CG-CE3 3.56Å; F30-W65 HydrophobicContact CG-CE3 3.56Å; F30-W65 AromaticContact CG-CZ3 3.85Å; F30-W65 HydrophobicContact CG-CZ3 3.85Å; F30-W65 HydrophobicContact CZ-CB 4.16Å; F30-W65 HydrophobicContact CZ-CE3 4.45Å; F30-R68 HydrophobicContact CD2-CB 4.28Å; F30-R68 HydrophobicContact CD2-CG 4Å; F30-R68 HydrophobicContact CE2-CB 3.99Å; F30-R68 HydrophobicContact CE2-CG 4.19Å
31I97.1Very high90.3Very high0 Ų059.5 Ų59.50%028%0.283CS..Hα-helixtrans-63.2-42.2174.4-76.6171.6000111.3L27 H29 E33 L34 L35 I44 F53 L83 F104L27-I31 HydrophobicContact CD1-CD1 3.96Å; L27-I31 HydrophobicContact CD1-CG1 4.17Å; L27-I31 HydrophobicContact CG-CD1 3.97Å; L27-I31 WeakPolarHBondContact O-CG1 3.4Å; L27-I31 PolarHBondContact O-N 3.36Å; H29-I31 PolarHBondContact O-N 3.39Å; I31-E33 VanDerWaalsContact C-N 3.28Å; I31-E33 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 3.35Å; I31-L35 HydrophobicContact CG2-CD1 3.68Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 VanDerWaalsContact O-CB 3.29Å; I31-L35 WeakPolarHBondContact O-CB 3.23Å; I31-L35 VanDerWaalsContact O-CG 3.31Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 2.74Å; I31-I44 HydrophobicContact CG1-CD1 4.42Å; I31-I44 HydrophobicContact CG2-CD1 3.9Å; I31-F53 HydrophobicContact CG2-CD2 4.39Å; I31-F53 HydrophobicContact CG2-CE1 4.29Å; I31-F53 HydrophobicContact CG2-CE2 3.76Å; I31-F53 HydrophobicContact CG2-CZ 3.69Å; I31-L83 HydrophobicContact CD1-CD2 3.64Å; I31-F104 HydrophobicContact CB-CZ 4.33Å; I31-F104 HydrophobicContact CG2-CE2 3.78Å; I31-F104 HydrophobicContact CG2-CZ 3.72Å
32L94.6Very high92.1Very high35 Ų3562.8 Ų62.818%0.18329%0.288CS..Hα-helixtrans-63.3-34172.7-69.1172.3000112.3W28 H29 R36 W46 F104 F106W28-L32 HydrophobicContact CE3-CD1 3.81Å; W28-L32 HydrophobicContact CZ3-CD1 3.86Å; W28-L32 WeakPolarHBondContact O-CG 3.45Å; W28-L32 PolarHBondContact O-N 2.99Å; W28-L32 VanDerWaalsContact O-N 3.16Å; H29-L32 PolarHBondContact O-N 2.68Å; L32-R36 WeakPolarHBondContact O-CB 3.18Å; L32-R36 PolarHBondContact O-N 2.71Å; L32-W46 HydrophobicContact CD2-CH2 3.71Å; L32-W46 HydrophobicContact CD2-CZ2 4.07Å; L32-F104 HydrophobicContact CD1-CE1 4.19Å; L32-F104 HydrophobicContact CD1-CZ 4.35Å; L32-F104 HydrophobicContact CD2-CD1 4.38Å; L32-F104 HydrophobicContact CD2-CD2 3.93Å; L32-F104 HydrophobicContact CD2-CE1 4.03Å; L32-F104 HydrophobicContact CD2-CE2 3.55Å; L32-F104 HydrophobicContact CD2-CG 4.32Å; L32-F104 HydrophobicContact CD2-CZ 3.61Å; L32-F104 HydrophobicContact CG-CE1 3.93Å; L32-F104 HydrophobicContact CG-CE2 4.07Å; L32-F104 HydrophobicContact CG-CZ 3.6Å; L32-F106 HydrophobicContact CD2-CE1 4.24Å; L32-F106 HydrophobicContact CD2-CZ 4.43Å
33E93.6Very high93.4Very high23 Ų2362.6 Ų62.611%0.10729%0.285CS..Hα-helixtrans-66.6-44.4175.7-165.8-165.8140.700112I25 H29 F30 I31 R36 R68I25-E33 WeakPolarHBondContact CD1-OE2 3.32Å; H29-E33 PolarHBondContact O-N 3.41Å; F30-E33 WeakPolarHBondContact O-CB 3.41Å; F30-E33 PolarHBondContact O-N 2.99Å; F30-E33 VanDerWaalsContact O-N 3.16Å; I31-E33 VanDerWaalsContact C-N 3.28Å; I31-E33 PolarHBondContact O-N 3.46Å; E33-R36 PolarHBondContact O-N 3.27Å; E33-R68 IonicContact OE1-CZ 2.79Å; E33-R68 IonicContact OE1-NH1 3.24Å; E33-R68 PolarHBondContact OE1-NH1 2.85Å; E33-R68 IonicContact OE1-NH2 3.5Å; E33-R68 PolarHBondContact OE1-NH2 2.98Å; E33-R68 IonicContact OE2-CZ 3.11Å; E33-R68 IonicContact OE2-NH1 3.49Å; E33-R68 PolarHBondContact OE2-NH1 3.24Å; E33-R68 IonicContact OE2-NH2 3.49Å; E33-R68 PolarHBondContact OE2-NH2 3.03Å
34L96.2Very high94.4Very high2 Ų254.6 Ų54.61%0.0126%0.255CS..Hα-helixtrans-62.3-49.6174.1-62.1-175.9000110.9F30 I31 R36 K37 Y40 I44 V61 L64F30-L34 HydrophobicContact CD1-CD1 4.35Å; F30-L34 HydrophobicContact CE1-CD1 3.61Å; F30-L34 HydrophobicContact CE1-CG 4.1Å; F30-L34 HydrophobicContact CE2-CD2 4.05Å; F30-L34 HydrophobicContact CE2-CG 4.26Å; F30-L34 HydrophobicContact CZ-CD1 3.72Å; F30-L34 HydrophobicContact CZ-CD2 3.94Å; F30-L34 HydrophobicContact CZ-CG 3.95Å; F30-L34 PolarHBondContact O-N 2.96Å; I31-L34 PolarHBondContact O-N 3.35Å; L34-R36 PolarHBondContact O-N 3.03Å; L34-K37 PolarHBondContact O-N 3.24Å; L34-Y40 HydrophobicContact CB-CD2 4.11Å; L34-Y40 HydrophobicContact CD2-CD2 3.46Å; L34-Y40 VanDerWaalsContact CD2-CD2 3.46Å; L34-Y40 HydrophobicContact CD2-CE2 3.37Å; L34-Y40 HydrophobicContact CD2-CG 4.15Å; L34-Y40 HydrophobicContact CG-CD2 4.36Å; L34-I44 HydrophobicContact CB-CG2 3.65Å; L34-I44 HydrophobicContact CD1-CG2 4.06Å; L34-V61 HydrophobicContact CD1-CG1 4.44Å; L34-V61 HydrophobicContact CD1-CG2 4.46Å; L34-L64 HydrophobicContact CD1-CD1 4.44Å; L34-L64 HydrophobicContact CD2-CD1 4.29Å
35L95.7Very high94.9Very high15 Ų1548.6 Ų48.68%0.07923%0.228CC..THydrogen-bonded Turntrans-63-11.4-179.3-79.2170000115.1I31 I44 W46 F53 F104I31-L35 HydrophobicContact CG2-CD1 3.68Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 VanDerWaalsContact O-CB 3.29Å; I31-L35 WeakPolarHBondContact O-CB 3.23Å; I31-L35 VanDerWaalsContact O-CG 3.31Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 2.74Å; L35-I44 HydrophobicContact CD1-CD1 4.46Å; L35-I44 HydrophobicContact CD2-CD1 4.42Å; L35-I44 HydrophobicContact CD2-CG1 3.88Å; L35-I44 HydrophobicContact CG-CD1 4.14Å; L35-I44 HydrophobicContact CG-CG1 4.13Å; L35-W46 HydrophobicContact CB-CZ2 3.72Å; L35-W46 HydrophobicContact CD1-CD2 4.4Å; L35-W46 HydrophobicContact CD1-CE3 4.4Å; L35-W46 HydrophobicContact CD1-CH2 3.78Å; L35-W46 HydrophobicContact CD1-CZ2 3.78Å; L35-W46 HydrophobicContact CD1-CZ3 4.1Å; L35-W46 HydrophobicContact CD2-CD2 4.23Å; L35-W46 HydrophobicContact CD2-CG 4.33Å; L35-W46 HydrophobicContact CG-CZ2 4.28Å; L35-W46 PolarHBondContact O-NE1 3.06Å; L35-F53 HydrophobicContact CD1-CB 3.81Å; L35-F53 HydrophobicContact CD1-CD1 4.12Å; L35-F53 HydrophobicContact CD1-CD2 3.96Å; L35-F53 HydrophobicContact CD1-CG 3.71Å; L35-F53 HydrophobicContact CD2-CB 3.97Å; L35-F104 HydrophobicContact CD1-CE2 3.97Å
36R91.5Very high95.3Very high147 Ų14753.2 Ų53.256%0.55525%0.246SC*.THydrogen-bonded Turntrans-94.7-11.2175.5-161.5178.668.9103.50.4112.8Y14 L32 E33 L34Y14-R36 VanDerWaalsContact OH-CZ 3.28Å; Y14-R36 PolarHBondContact OH-NH1 2.68Å; L32-R36 WeakPolarHBondContact O-CB 3.18Å; L32-R36 PolarHBondContact O-N 2.71Å; E33-R36 PolarHBondContact O-N 3.27Å; L34-R36 PolarHBondContact O-N 3.03Å
37K92.1Very high95.3Very high70 Ų7053.5 Ų53.530%0.30425%0.247SC..  trans-106.1124.5-178.9-69.2167.2144-107.50110.1L34 E39 Y40L34-K37 PolarHBondContact O-N 3.24Å; K37-E39 HydrophobicContact CB-CG 3.92Å; K37-E39 HydrophobicContact CD-CG 4.44Å; K37-E39 IonicContact NZ-OE1 2.71Å; K37-E39 PolarHBondContact NZ-OE1 2.86Å; K37-E39 IonicContact NZ-OE2 3.77Å; K37-E39 PolarHBondContact NZ-OE2 2.82Å; K37-E39 PolarHBondContact O-N 2.98Å; K37-Y40 HydrophobicContact CB-CD2 4Å; K37-Y40 HydrophobicContact CB-CE2 4.46Å; K37-Y40 HydrophobicContact CD-CD2 3.96Å; K37-Y40 HydrophobicContact CD-CE2 3.63Å; K37-Y40 PolarHBondContact O-N 2.91Å
38Q91.6Very high95Very high181 Ų18156.4 Ų56.485%0.84628%0.277SS*.G310 helixtrans-65.3-24.8178.8-60-163.836.200112.8Y40 N41Q38-Y40 PolarHBondContact O-N 2.84Å; Q38-N41 PolarHBondContact O-N 2.84Å; Q38-N41 VanDerWaalsContact O-N 3.07Å
39E95.3Very high94.7Very high121 Ų12160.3 Ų60.357%0.56530%0.299SS*.G310 helixtrans-57.4-16.3176.880.6-156.9-130.700114.7K37K37-E39 HydrophobicContact CB-CG 3.92Å; K37-E39 HydrophobicContact CD-CG 4.44Å; K37-E39 IonicContact NZ-OE1 2.71Å; K37-E39 PolarHBondContact NZ-OE1 2.86Å; K37-E39 IonicContact NZ-OE2 3.77Å; K37-E39 PolarHBondContact NZ-OE2 2.82Å; K37-E39 PolarHBondContact O-N 2.98Å
40Y96Very high94.5Very high50 Ų5066.3 Ų66.320%0.19632%0.322CS..G310 helixtrans-113.610.6179.4-59.8-54.1000114L34 K37 Q38 D42 V43 I44 L64L34-Y40 HydrophobicContact CB-CD2 4.11Å; L34-Y40 HydrophobicContact CD2-CD2 3.46Å; L34-Y40 VanDerWaalsContact CD2-CD2 3.46Å; L34-Y40 HydrophobicContact CD2-CE2 3.37Å; L34-Y40 HydrophobicContact CD2-CG 4.15Å; L34-Y40 HydrophobicContact CG-CD2 4.36Å; K37-Y40 HydrophobicContact CB-CD2 4Å; K37-Y40 HydrophobicContact CB-CE2 4.46Å; K37-Y40 HydrophobicContact CD-CD2 3.96Å; K37-Y40 HydrophobicContact CD-CE2 3.63Å; K37-Y40 PolarHBondContact O-N 2.91Å; Q38-Y40 PolarHBondContact O-N 2.84Å; Y40-D42 PolarHBondContact O-N 2.61Å; Y40-D42 VanDerWaalsContact O-N 3.13Å; Y40-V43 WeakPolarHBondContact O-CA 3.47Å; Y40-V43 WeakPolarHBondContact O-CB 3.49Å; Y40-V43 PolarHBondContact O-N 2.61Å; Y40-I44 PolarHBondContact O-N 2.99Å; Y40-I44 VanDerWaalsContact O-O 3.08Å; Y40-L64 HydrophobicContact CD1-CD1 3.98Å; Y40-L64 HydrophobicContact CE1-CD1 3.78Å; Y40-L64 HydrophobicContact CE1-CD2 4.23Å
41N95.5Very high94.4Very high80 Ų8066.3 Ų66.343%0.42832%0.323SS..THydrogen-bonded Turntrans-56-36.8-175.1-166.1-67.2000112.5Q38 V43 K56Q38-N41 PolarHBondContact O-N 2.84Å; Q38-N41 VanDerWaalsContact O-N 3.07Å; N41-V43 VanDerWaalsContact C-N 3.27Å; N41-V43 PolarHBondContact O-N 2.96Å; N41-K56 VanDerWaalsContact O-CD 3.28Å; N41-K56 WeakPolarHBondContact O-CD 3.48Å; N41-K56 VanDerWaalsContact O-CE 3.28Å; N41-K56 WeakPolarHBondContact O-CE 3.3Å; N41-K56 PolarHBondContact O-NZ 3.11Å; N41-K56 PolarHBondContact OD1-NZ 3.21Å
42D96.9Very high94.3Very high125 Ų12566.8 Ų66.867%0.66833%0.325SS*.THydrogen-bonded Turntrans-78.6-8.1179.2-61.3-46.4000115.1Y40 K56Y40-D42 PolarHBondContact O-N 2.61Å; Y40-D42 VanDerWaalsContact O-N 3.13Å; D42-K56 WeakPolarHBondContact O-CB 3.41Å; D42-K56 VanDerWaalsContact O-CD 3.29Å; D42-K56 WeakPolarHBondContact O-CD 3.46Å; D42-K56 IonicContact OD1-NZ 2.89Å; D42-K56 PolarHBondContact OD1-NZ 3.5Å
43V97.8Very high94.5Very high22 Ų2265.1 Ų65.113%0.13332%0.317CS..THydrogen-bonded Turntrans-100.2-44.4174.4170.40000110.3Y40 N41 K56 D57 E60 V61 L64Y40-V43 WeakPolarHBondContact O-CA 3.47Å; Y40-V43 WeakPolarHBondContact O-CB 3.49Å; Y40-V43 PolarHBondContact O-N 2.61Å; N41-V43 VanDerWaalsContact C-N 3.27Å; N41-V43 PolarHBondContact O-N 2.96Å; V43-K56 PolarHBondContact O-N 3.41Å; V43-D57 HydrophobicContact CG1-CB 4.42Å; V43-D57 HydrophobicContact CG2-CB 4.46Å; V43-D57 PolarHBondContact O-N 3.1Å; V43-E60 HydrophobicContact CB-CG 4.38Å; V43-E60 HydrophobicContact CG1-CB 4.05Å; V43-E60 HydrophobicContact CG1-CG 3.82Å; V43-E60 HydrophobicContact CG2-CB 4.18Å; V43-E60 HydrophobicContact CG2-CG 3.59Å; V43-V61 HydrophobicContact CG1-CB 4.48Å; V43-V61 HydrophobicContact CG1-CG2 3.43Å; V43-V61 VanDerWaalsContact CG1-CG2 3.43Å; V43-L64 HydrophobicContact CG1-CD1 4.37Å
44I98.2Very high94.7Very high3 Ų364.9 Ų64.92%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-154.8129.2-178.1-167.7177.6000110.8I31 L34 L35 Y40 F53 V54 I55 V61I31-I44 HydrophobicContact CG1-CD1 4.42Å; I31-I44 HydrophobicContact CG2-CD1 3.9Å; L34-I44 HydrophobicContact CB-CG2 3.65Å; L34-I44 HydrophobicContact CD1-CG2 4.06Å; L35-I44 HydrophobicContact CD1-CD1 4.46Å; L35-I44 HydrophobicContact CD2-CD1 4.42Å; L35-I44 HydrophobicContact CD2-CG1 3.88Å; L35-I44 HydrophobicContact CG-CD1 4.14Å; L35-I44 HydrophobicContact CG-CG1 4.13Å; Y40-I44 PolarHBondContact O-N 2.99Å; Y40-I44 VanDerWaalsContact O-O 3.08Å; I44-F53 HydrophobicContact CD1-CD2 3.98Å; I44-F53 HydrophobicContact CD1-CE2 3.98Å; I44-F53 HydrophobicContact CG1-CD2 4.05Å; I44-V54 WeakPolarHBondContact CA-O 3.41Å; I44-V54 WeakPolarHBondContact CG1-O 3.31Å; I44-I55 HydrophobicContact CD1-CG1 3.76Å; I44-I55 HydrophobicContact CG1-CG1 3.88Å; I44-V61 HydrophobicContact CB-CG2 3.99Å; I44-V61 HydrophobicContact CD1-CG2 4.34Å; I44-V61 HydrophobicContact CG2-CG2 4.39Å
45A97.2Very high94.8Very high9 Ų964.9 Ų64.97%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-142.6152.9-175.200000112.9F53 V54A45-F53 CarbonylContact O-C 3.59Å; A45-F53 VanDerWaalsContact O-CA 3.23Å; A45-F53 WeakPolarHBondContact O-CA 3.42Å; A45-F53 WeakPolarHBondContact O-CB 3.28Å; A45-V54 PolarHBondContact N-O 2.9Å; A45-V54 PolarHBondContact O-N 2.88Å
46W97.1Very high94.9Very high101 Ų10168.6 Ų68.638%0.38333%0.332SS..EExtended strand (participates in β ladder)trans-63.8137.7163.2-59.3106.2000109.6L32 L35 E52 F53 F104 F106L32-W46 HydrophobicContact CD2-CH2 3.71Å; L32-W46 HydrophobicContact CD2-CZ2 4.07Å; L35-W46 HydrophobicContact CB-CZ2 3.72Å; L35-W46 HydrophobicContact CD1-CD2 4.4Å; L35-W46 HydrophobicContact CD1-CE3 4.4Å; L35-W46 HydrophobicContact CD1-CH2 3.78Å; L35-W46 HydrophobicContact CD1-CZ2 3.78Å; L35-W46 HydrophobicContact CD1-CZ3 4.1Å; L35-W46 HydrophobicContact CD2-CD2 4.23Å; L35-W46 HydrophobicContact CD2-CG 4.33Å; L35-W46 HydrophobicContact CG-CZ2 4.28Å; L35-W46 PolarHBondContact O-NE1 3.06Å; W46-E52 WeakPolarHBondContact CA-O 3.49Å; W46-F53 HydrophobicContact CE3-CB 3.93Å; W46-F53 HydrophobicContact CZ3-CB 4.24Å; W46-F53 HydrophobicContact CZ3-CD1 4.49Å; W46-F104 AromaticContact CH2-CD2 3.83Å; W46-F104 HydrophobicContact CH2-CD2 3.83Å; W46-F104 HydrophobicContact CH2-CE2 4.17Å; W46-F104 AromaticContact CZ3-CD2 3.87Å; W46-F104 HydrophobicContact CZ3-CD2 3.87Å; W46-F104 HydrophobicContact CZ3-CE2 4.47Å; W46-F106 AromaticContact CH2-CZ 3.89Å; W46-F106 HydrophobicContact CH2-CZ 3.89Å; W46-F106 HydrophobicContact CZ3-CZ 4.29Å
47Q94.6Very high95.3Very high99 Ų9964.7 Ų64.746%0.46332%0.322SS..  trans-155131.4-178.8-172-176.146.200111E52 V54Q47-E52 PolarHBondContact N-O 3Å; Q47-E52 CarbonylContact O-C 3.45Å; Q47-E52 VanDerWaalsContact O-CB 3.28Å; Q47-E52 WeakPolarHBondContact O-CB 3.45Å; Q47-E52 VanDerWaalsContact O-CG 3.3Å; Q47-E52 WeakPolarHBondContact O-CG 3.1Å; Q47-V54 HydrophobicContact CB-CB 4.4Å; Q47-V54 HydrophobicContact CB-CG1 3.94Å
48G89.9Confident95.6Very high63 Ų6362.4 Ų62.465%0.64932%0.315SS*.SBendtrans78.6-138.8-179.500000112.2
49D88.1Confident95.9Very high96 Ų9658.4 Ų58.451%0.51330%0.299SS..SBendtrans-55.7159-176.3-57.6-2.4000114G51 E52 K103D49-G51 PolarHBondContact O-N 2.81Å; D49-G51 VanDerWaalsContact O-N 3.13Å; D49-E52 HydrophobicContact CB-CB 4.35Å; D49-E52 WeakPolarHBondContact O-CB 3.23Å; D49-E52 PolarHBondContact O-N 2.79Å; D49-K103 IonicContact OD2-NZ 2.71Å; D49-K103 PolarHBondContact OD2-NZ 3.43Å
50Y90.3Very high96Very high147 Ų14754.8 Ų54.858%0.57628%0.282SS*.THydrogen-bonded Turntrans-50.6121.6169.8-176.4-110.5000112.3F7 E52 K103 F106F7-Y50 HydrophobicContact CD1-CE2 4.14Å; F7-Y50 HydrophobicContact CE1-CD2 4.42Å; F7-Y50 AromaticContact CE1-CE2 3.71Å; F7-Y50 HydrophobicContact CE1-CE2 3.71Å; F7-Y50 HydrophobicContact CZ-CE2 4.44Å; Y50-E52 VanDerWaalsContact C-N 3.33Å; Y50-K103 WeakPolarHBondContact O-CE 3.47Å; Y50-F106 HydrophobicContact CD1-CD2 4.17Å; Y50-F106 AromaticContact CE1-CD2 3.53Å; Y50-F106 HydrophobicContact CE1-CD2 3.53Å; Y50-F106 HydrophobicContact CE1-CE2 4.02Å; Y50-F106 HydrophobicContact CE1-CG 4.47Å; Y50-F106 AromaticContact CZ-CD2 3.9Å
51G92.1Very high96.1Very high4 Ų452.4 Ų52.44%0.04127%0.273CS..THydrogen-bonded Turntrans81.4-2.2-177.500000115.9D49 K103 F104D49-G51 PolarHBondContact O-N 2.81Å; D49-G51 VanDerWaalsContact O-N 3.13Å; G51-K103 CarbonylContact O-C 3.5Å; G51-K103 WeakPolarHBondContact O-CA 3.07Å; G51-F104 PolarHBondContact O-N 3.2Å
52E97.1Very high96.3Very high9 Ų948.6 Ų48.64%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-82.3135.8170.4-172.4161.1-78.400111W46 Q47 D49 Y50 T95 K98 T101 Y102 K103W46-E52 WeakPolarHBondContact CA-O 3.49Å; Q47-E52 PolarHBondContact N-O 3Å; Q47-E52 CarbonylContact O-C 3.45Å; Q47-E52 VanDerWaalsContact O-CB 3.28Å; Q47-E52 WeakPolarHBondContact O-CB 3.45Å; Q47-E52 VanDerWaalsContact O-CG 3.3Å; Q47-E52 WeakPolarHBondContact O-CG 3.1Å; D49-E52 HydrophobicContact CB-CB 4.35Å; D49-E52 WeakPolarHBondContact O-CB 3.23Å; D49-E52 PolarHBondContact O-N 2.79Å; Y50-E52 VanDerWaalsContact C-N 3.33Å; E52-T95 WeakPolarHBondContact OE1-CB 3.29Å; E52-T95 WeakPolarHBondContact OE1-CG2 3.39Å; E52-T95 PolarHBondContact OE1-OG1 3.29Å; E52-K98 IonicContact OE2-NZ 2.68Å; E52-K98 PolarHBondContact OE2-NZ 3.31Å; E52-T101 HydrophobicContact CG-CG2 3.42Å; E52-T101 VanDerWaalsContact CG-CG2 3.42Å; E52-Y102 WeakPolarHBondContact CA-O 3.45Å; E52-K103 HydrophobicContact CB-CB 4.28Å; E52-K103 HydrophobicContact CB-CD 4.18Å; E52-K103 HydrophobicContact CB-CG 4.03Å; E52-K103 HydrophobicContact CG-CB 4.5Å
53F97.9Very high96.3Very high0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-140.8150-178.974.5-89000111I31 L35 I44 A45 W46 I55 L92 T101 Y102 F104I31-F53 HydrophobicContact CG2-CD2 4.39Å; I31-F53 HydrophobicContact CG2-CE1 4.29Å; I31-F53 HydrophobicContact CG2-CE2 3.76Å; I31-F53 HydrophobicContact CG2-CZ 3.69Å; L35-F53 HydrophobicContact CD1-CB 3.81Å; L35-F53 HydrophobicContact CD1-CD1 4.12Å; L35-F53 HydrophobicContact CD1-CD2 3.96Å; L35-F53 HydrophobicContact CD1-CG 3.71Å; L35-F53 HydrophobicContact CD2-CB 3.97Å; I44-F53 HydrophobicContact CD1-CD2 3.98Å; I44-F53 HydrophobicContact CD1-CE2 3.98Å; I44-F53 HydrophobicContact CG1-CD2 4.05Å; A45-F53 CarbonylContact O-C 3.59Å; A45-F53 VanDerWaalsContact O-CA 3.23Å; A45-F53 WeakPolarHBondContact O-CA 3.42Å; A45-F53 WeakPolarHBondContact O-CB 3.28Å; W46-F53 HydrophobicContact CE3-CB 3.93Å; W46-F53 HydrophobicContact CZ3-CB 4.24Å; W46-F53 HydrophobicContact CZ3-CD1 4.49Å; F53-I55 HydrophobicContact CD2-CG1 4.44Å; F53-I55 HydrophobicContact CE2-CD1 4.3Å; F53-I55 HydrophobicContact CE2-CG1 4.07Å; F53-L92 HydrophobicContact CE1-CD2 3.9Å; F53-L92 HydrophobicContact CE1-CG 4.39Å; F53-L92 HydrophobicContact CZ-CD2 3.76Å; F53-T101 CarbonylContact O-C 3.53Å; F53-T101 VanDerWaalsContact O-CA 3.28Å; F53-T101 WeakPolarHBondContact O-CA 3.45Å; F53-T101 VanDerWaalsContact O-CG2 3.26Å; F53-T101 WeakPolarHBondContact O-CG2 3.47Å; F53-Y102 VanDerWaalsContact CD1-O 3.23Å; F53-Y102 WeakPolarHBondContact CD1-O 3.48Å; F53-Y102 HydrophobicContact CE2-CD2 4.32Å; F53-Y102 HydrophobicContact CZ-CD2 4.31Å; F53-Y102 HydrophobicContact CZ-CG 4.26Å; F53-Y102 PolarHBondContact N-O 2.83Å; F53-Y102 PolarHBondContact O-N 3.44Å; F53-F104 AromaticContact CD1-CD2 3.54Å; F53-F104 HydrophobicContact CD1-CD2 3.54Å; F53-F104 AromaticContact CD1-CE2 3.59Å; F53-F104 HydrophobicContact CD1-CE2 3.59Å; F53-F104 AromaticContact CE1-CD2 3.48Å; F53-F104 HydrophobicContact CE1-CD2 3.48Å; F53-F104 VanDerWaalsContact CE1-CD2 3.48Å; F53-F104 AromaticContact CE1-CE2 3.28Å; F53-F104 HydrophobicContact CE1-CE2 3.28Å; F53-F104 HydrophobicContact CE1-CG 4.41Å; F53-F104 HydrophobicContact CE1-CZ 4.09Å; F53-F104 HydrophobicContact CZ-CE2 4.02Å
54V98.1Very high96.3Very high19 Ų1949.2 Ų49.212%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-114.8136.3175.966.80000110I44 A45 Q47 K56 T101I44-V54 WeakPolarHBondContact CA-O 3.41Å; I44-V54 WeakPolarHBondContact CG1-O 3.31Å; A45-V54 PolarHBondContact N-O 2.9Å; A45-V54 PolarHBondContact O-N 2.88Å; Q47-V54 HydrophobicContact CB-CB 4.4Å; Q47-V54 HydrophobicContact CB-CG1 3.94Å; V54-K56 HydrophobicContact CG1-CG 4.3Å; V54-T101 HydrophobicContact CB-CG2 4.48Å
55I98.4Very high96.3Very high1 Ų150.2 Ų50.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-87.7108163.4-63.4167.5000106.2I44 F53 D57 P58 V61 Y76 L83 F100 Y102I44-I55 HydrophobicContact CD1-CG1 3.76Å; I44-I55 HydrophobicContact CG1-CG1 3.88Å; F53-I55 HydrophobicContact CD2-CG1 4.44Å; F53-I55 HydrophobicContact CE2-CD1 4.3Å; F53-I55 HydrophobicContact CE2-CG1 4.07Å; I55-D57 VanDerWaalsContact CG2-O 3.32Å; I55-D57 WeakPolarHBondContact CG2-O 3.43Å; I55-P58 HydrophobicContact CG2-CB 4.28Å; I55-V61 HydrophobicContact CD1-CG1 4.5Å; I55-V61 HydrophobicContact CG1-CG2 4.49Å; I55-V61 HydrophobicContact CG2-CB 4.17Å; I55-V61 HydrophobicContact CG2-CG2 3.71Å; I55-Y76 HydrophobicContact CD1-CE2 4.08Å; I55-L83 HydrophobicContact CD1-CD1 4.23Å; I55-F100 HydrophobicContact CB-CB 4.23Å; I55-F100 PolarHBondContact N-O 3.36Å; I55-F100 VanDerWaalsContact O-CB 3.23Å; I55-F100 WeakPolarHBondContact O-CB 3.29Å; I55-Y102 HydrophobicContact CD1-CE2 4.34Å
56K98.2Very high96.2Very high93 Ų9350 Ų5040%0.40425%0.246SC..SBendtrans-73.9-51.2177.7-73.1173.8177.3169.10109.7N41 D42 V43 V54 P58N41-K56 VanDerWaalsContact O-CD 3.28Å; N41-K56 WeakPolarHBondContact O-CD 3.48Å; N41-K56 VanDerWaalsContact O-CE 3.28Å; N41-K56 WeakPolarHBondContact O-CE 3.3Å; N41-K56 PolarHBondContact O-NZ 3.11Å; N41-K56 PolarHBondContact OD1-NZ 3.21Å; D42-K56 WeakPolarHBondContact O-CB 3.41Å; D42-K56 VanDerWaalsContact O-CD 3.29Å; D42-K56 WeakPolarHBondContact O-CD 3.46Å; D42-K56 IonicContact OD1-NZ 2.89Å; D42-K56 PolarHBondContact OD1-NZ 3.5Å; V43-K56 PolarHBondContact O-N 3.41Å; V54-K56 HydrophobicContact CG1-CG 4.3Å; K56-P58 WeakPolarHBondContact O-CD 3.21Å
57D98.3Very high96.1Very high65 Ų6548.1 Ų48.135%0.34825%0.253SS..  trans-106.4102.4174.3-171.2-28.7000110.2V43 I55 D59 E60 V61V43-D57 HydrophobicContact CG1-CB 4.42Å; V43-D57 HydrophobicContact CG2-CB 4.46Å; V43-D57 PolarHBondContact O-N 3.1Å; I55-D57 VanDerWaalsContact CG2-O 3.32Å; I55-D57 WeakPolarHBondContact CG2-O 3.43Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact OD1-N 3.4Å; D57-E60 HydrophobicContact CB-CB 4.02Å; D57-E60 VanDerWaalsContact CG-CB 3.41Å; D57-E60 PolarHBondContact OD1-N 3.44Å; D57-E60 WeakPolarHBondContact OD2-CB 3.3Å; D57-V61 WeakPolarHBondContact O-CG2 3.21Å; D57-V61 PolarHBondContact O-N 2.93Å
58P98.1Very high96.1Very high22 Ų2245.6 Ų45.614%0.14324%0.239CC..Hα-helixtrans-68.3-30.8-179.527.2-33.4000113.7I55 K56 A62 Y76 F100I55-P58 HydrophobicContact CG2-CB 4.28Å; K56-P58 WeakPolarHBondContact O-CD 3.21Å; P58-A62 WeakPolarHBondContact O-CB 3.42Å; P58-A62 PolarHBondContact O-N 3.24Å; P58-Y76 HydrophobicContact CB-CD1 4.06Å; P58-Y76 HydrophobicContact CB-CD2 3.37Å; P58-Y76 HydrophobicContact CB-CE2 3.88Å; P58-Y76 HydrophobicContact CB-CG 3.48Å; P58-Y76 VanDerWaalsContact CB-CG 3.48Å; P58-Y76 WeakPolarHBondContact O-CD2 3.29Å; P58-F100 HydrophobicContact CB-CE1 4.38Å; P58-F100 HydrophobicContact CB-CZ 4.49Å; P58-F100 HydrophobicContact CG-CE2 4.25Å; P58-F100 HydrophobicContact CG-CZ 4.16Å
59D98.3Very high96.2Very high97 Ų9745.2 Ų45.252%0.51922%0.219SC..Hα-helixtrans-88.1-32.9-173.3-72.1-50.8000111.6D57 A62 R63D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact OD1-N 3.4Å; D59-A62 CarbonylContact O-C 3.56Å; D59-A62 WeakPolarHBondContact O-CB 3.49Å; D59-A62 PolarHBondContact O-N 3.35Å; D59-R63 WeakPolarHBondContact O-CB 3.47Å; D59-R63 PolarHBondContact O-N 3.44Å
60E98.3Very high96.4Very high45 Ų4543.8 Ų43.821%0.2122%0.216CC..Hα-helixtrans-67.3-41.2170.2-18056-162.600111.8V43 D57 A62 R63 L64V43-E60 HydrophobicContact CB-CG 4.38Å; V43-E60 HydrophobicContact CG1-CB 4.05Å; V43-E60 HydrophobicContact CG1-CG 3.82Å; V43-E60 HydrophobicContact CG2-CB 4.18Å; V43-E60 HydrophobicContact CG2-CG 3.59Å; D57-E60 HydrophobicContact CB-CB 4.02Å; D57-E60 VanDerWaalsContact CG-CB 3.41Å; D57-E60 PolarHBondContact OD1-N 3.44Å; D57-E60 WeakPolarHBondContact OD2-CB 3.3Å; E60-A62 PolarHBondContact O-N 3.3Å; E60-R63 PolarHBondContact O-N 3.07Å; E60-R63 IonicContact OE1-CZ 3.47Å; E60-R63 IonicContact OE1-NE 2.68Å; E60-R63 PolarHBondContact OE1-NE 3.33Å; E60-R63 IonicContact OE1-NH2 3.84Å; E60-R63 PolarHBondContact OE1-NH2 3.46Å; E60-R63 IonicContact OE2-CZ 3.33Å; E60-R63 IonicContact OE2-NE 2.68Å; E60-R63 PolarHBondContact OE2-NE 2.93Å; E60-R63 IonicContact OE2-NH2 2.65Å; E60-R63 PolarHBondContact OE2-NH2 3.01Å; E60-L64 HydrophobicContact CG-CD1 4.04Å; E60-L64 HydrophobicContact CG-CG 4.38Å; E60-L64 WeakPolarHBondContact O-CB 3.4Å; E60-L64 VanDerWaalsContact O-CG 3.26Å; E60-L64 WeakPolarHBondContact O-CG 3.35Å; E60-L64 PolarHBondContact O-N 2.96Å; E60-L64 WeakPolarHBondContact OE1-CD2 3.41Å; E60-L64 VanDerWaalsContact OE1-CG 3.3Å; E60-L64 WeakPolarHBondContact OE1-CG 3.44Å
61V98.4Very high96.6Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-57.8-39.9170.3172.30000111L34 V43 I44 I55 D57 W65 L79L34-V61 HydrophobicContact CD1-CG1 4.44Å; L34-V61 HydrophobicContact CD1-CG2 4.46Å; V43-V61 HydrophobicContact CG1-CB 4.48Å; V43-V61 HydrophobicContact CG1-CG2 3.43Å; V43-V61 VanDerWaalsContact CG1-CG2 3.43Å; I44-V61 HydrophobicContact CB-CG2 3.99Å; I44-V61 HydrophobicContact CD1-CG2 4.34Å; I44-V61 HydrophobicContact CG2-CG2 4.39Å; I55-V61 HydrophobicContact CD1-CG1 4.5Å; I55-V61 HydrophobicContact CG1-CG2 4.49Å; I55-V61 HydrophobicContact CG2-CB 4.17Å; I55-V61 HydrophobicContact CG2-CG2 3.71Å; D57-V61 WeakPolarHBondContact O-CG2 3.21Å; D57-V61 PolarHBondContact O-N 2.93Å; V61-W65 WeakPolarHBondContact O-CB 3.26Å; V61-W65 PolarHBondContact O-N 3.39Å; V61-L79 HydrophobicContact CG1-CD1 3.89Å
62A98.3Very high96.6Very high1 Ų148.4 Ų48.41%0.00825%0.251CS..Hα-helixtrans-70.3-37.5177.200000113.2P58 D59 E60 W65 G66 M74 L79P58-A62 WeakPolarHBondContact O-CB 3.42Å; P58-A62 PolarHBondContact O-N 3.24Å; D59-A62 CarbonylContact O-C 3.56Å; D59-A62 WeakPolarHBondContact O-CB 3.49Å; D59-A62 PolarHBondContact O-N 3.35Å; E60-A62 PolarHBondContact O-N 3.3Å; A62-W65 PolarHBondContact O-N 3.22Å; A62-G66 PolarHBondContact O-N 3.13Å; A62-M74 HydrophobicContact CB-CG 4.49Å; A62-M74 VanDerWaalsContact O-CG 3.26Å; A62-M74 WeakPolarHBondContact O-CG 3.37Å; A62-L79 HydrophobicContact CB-CD1 4.22Å
63R98.1Very high96.5Very high140 Ų14055.5 Ų55.553%0.52828%0.284SS..Hα-helixtrans-65.8-45.6175.5-167.3-164.268.487.32.7111.2D59 E60 W65 G66 A67D59-R63 WeakPolarHBondContact O-CB 3.47Å; D59-R63 PolarHBondContact O-N 3.44Å; E60-R63 PolarHBondContact O-N 3.07Å; E60-R63 IonicContact OE1-CZ 3.47Å; E60-R63 IonicContact OE1-NE 2.68Å; E60-R63 PolarHBondContact OE1-NE 3.33Å; E60-R63 IonicContact OE1-NH2 3.84Å; E60-R63 PolarHBondContact OE1-NH2 3.46Å; E60-R63 IonicContact OE2-CZ 3.33Å; E60-R63 IonicContact OE2-NE 2.68Å; E60-R63 PolarHBondContact OE2-NE 2.93Å; E60-R63 IonicContact OE2-NH2 2.65Å; E60-R63 PolarHBondContact OE2-NH2 3.01Å; R63-W65 PolarHBondContact O-N 3.06Å; R63-G66 PolarHBondContact O-N 3.2Å; R63-A67 PolarHBondContact O-N 2.78Å
64L97.4Very high96.5Very high20 Ų2057 Ų5711%0.10529%0.291CS..Hα-helixtrans-62.4-41.4175.6-67.5167.8000111.4F30 L34 Y40 V43 E60 A67 R68F30-L64 HydrophobicContact CZ-CB 3.84Å; L34-L64 HydrophobicContact CD1-CD1 4.44Å; L34-L64 HydrophobicContact CD2-CD1 4.29Å; Y40-L64 HydrophobicContact CD1-CD1 3.98Å; Y40-L64 HydrophobicContact CE1-CD1 3.78Å; Y40-L64 HydrophobicContact CE1-CD2 4.23Å; V43-L64 HydrophobicContact CG1-CD1 4.37Å; E60-L64 HydrophobicContact CG-CD1 4.04Å; E60-L64 HydrophobicContact CG-CG 4.38Å; E60-L64 WeakPolarHBondContact O-CB 3.4Å; E60-L64 VanDerWaalsContact O-CG 3.26Å; E60-L64 WeakPolarHBondContact O-CG 3.35Å; E60-L64 PolarHBondContact O-N 2.96Å; E60-L64 WeakPolarHBondContact OE1-CD2 3.41Å; E60-L64 VanDerWaalsContact OE1-CG 3.3Å; E60-L64 WeakPolarHBondContact OE1-CG 3.44Å; L64-A67 PolarHBondContact O-N 2.87Å; L64-R68 WeakPolarHBondContact O-CB 3.34Å; L64-R68 PolarHBondContact O-N 3.31Å
65W97.3Very high96.5Very high24 Ų2459.3 Ų59.39%0.09130%0.303CS..Hα-helixtrans-65-41.1173.2179.5-126.9000112.3I25 L27 F30 V61 A62 R63 R68 K69 L79I25-W65 HydrophobicContact CG2-CZ3 4.11Å; I25-W65 WeakPolarHBondContact O-CH2 3.48Å; L27-W65 HydrophobicContact CB-CH2 3.96Å; L27-W65 HydrophobicContact CB-CZ2 3.77Å; L27-W65 HydrophobicContact CB-CZ3 4.49Å; L27-W65 HydrophobicContact CD1-CD2 3.77Å; L27-W65 HydrophobicContact CD1-CE3 4.14Å; L27-W65 HydrophobicContact CD1-CG 4.01Å; L27-W65 HydrophobicContact CD1-CZ2 4.34Å; F30-W65 HydrophobicContact CB-CE3 3.93Å; F30-W65 HydrophobicContact CB-CZ3 3.69Å; F30-W65 HydrophobicContact CD1-CB 4.32Å; F30-W65 HydrophobicContact CD1-CD2 4.23Å; F30-W65 AromaticContact CD1-CE3 3.48Å; F30-W65 HydrophobicContact CD1-CE3 3.48Å; F30-W65 VanDerWaalsContact CD1-CE3 3.48Å; F30-W65 HydrophobicContact CD1-CZ3 4.15Å; F30-W65 HydrophobicContact CD2-CE3 4.12Å; F30-W65 HydrophobicContact CD2-CZ3 4.47Å; F30-W65 HydrophobicContact CE1-CB 3.71Å; F30-W65 HydrophobicContact CE1-CD2 4.47Å; F30-W65 AromaticContact CE1-CE3 3.96Å; F30-W65 HydrophobicContact CE1-CE3 3.96Å; F30-W65 HydrophobicContact CE1-CG 4.42Å; F30-W65 AromaticContact CG-CE3 3.56Å; F30-W65 HydrophobicContact CG-CE3 3.56Å; F30-W65 AromaticContact CG-CZ3 3.85Å; F30-W65 HydrophobicContact CG-CZ3 3.85Å; F30-W65 HydrophobicContact CZ-CB 4.16Å; F30-W65 HydrophobicContact CZ-CE3 4.45Å; V61-W65 WeakPolarHBondContact O-CB 3.26Å; V61-W65 PolarHBondContact O-N 3.39Å; A62-W65 PolarHBondContact O-N 3.22Å; R63-W65 PolarHBondContact O-N 3.06Å; W65-R68 PolarHBondContact O-N 3.21Å; W65-K69 HydrophobicContact CD2-CG 3.93Å; W65-K69 HydrophobicContact CE3-CD 4.39Å; W65-K69 HydrophobicContact CE3-CG 3.85Å; W65-K69 HydrophobicContact CH2-CD 3.5Å; W65-K69 HydrophobicContact CH2-CG 3.6Å; W65-K69 HydrophobicContact CZ2-CD 3.98Å; W65-K69 HydrophobicContact CZ2-CG 3.66Å; W65-K69 HydrophobicContact CZ3-CD 3.74Å; W65-K69 HydrophobicContact CZ3-CG 3.7Å; W65-K69 PolarHBondContact O-N 3.49Å; W65-L79 HydrophobicContact CB-CD1 3.78Å; W65-L79 HydrophobicContact CG-CD1 3.95Å
66G96.4Very high96.5Very high3 Ų360.6 Ų60.63%0.03131%0.308CS..Hα-helixtrans-58-48.7173.200000112A62 R63 K69 C70 K71A62-G66 PolarHBondContact O-N 3.13Å; R63-G66 PolarHBondContact O-N 3.2Å; G66-K69 PolarHBondContact O-N 2.8Å; G66-C70 CarbonylContact O-C 3.47Å; G66-C70 VanDerWaalsContact O-CA 3.26Å; G66-C70 WeakPolarHBondContact O-CA 3.39Å; G66-C70 PolarHBondContact O-N 3.16Å; G66-K71 WeakPolarHBondContact CA-O 3.47Å; G66-K71 PolarHBondContact O-N 3.47Å
67A95.2Very high96.4Very high62 Ų6260.4 Ų60.451%0.51231%0.311SS..Hα-helixtrans-59.1-50.3174.500000111.6R63 L64 K69 C70R63-A67 PolarHBondContact O-N 2.78Å; L64-A67 PolarHBondContact O-N 2.87Å; A67-K69 VanDerWaalsContact C-N 3.29Å; A67-K69 PolarHBondContact O-N 2.97Å; A67-C70 PolarHBondContact O-N 3.24Å
68R93.9Very high96.4Very high47 Ų4762.5 Ų62.518%0.17732%0.317CS..Hα-helixtrans-57.8-36.8-179.4-179.660.667.695.46.2113.6I25 F30 E33 L64 W65I25-R68 HydrophobicContact CG2-CG 3.71Å; F30-R68 HydrophobicContact CD2-CB 4.28Å; F30-R68 HydrophobicContact CD2-CG 4Å; F30-R68 HydrophobicContact CE2-CB 3.99Å; F30-R68 HydrophobicContact CE2-CG 4.19Å; E33-R68 IonicContact OE1-CZ 2.79Å; E33-R68 IonicContact OE1-NH1 3.24Å; E33-R68 PolarHBondContact OE1-NH1 2.85Å; E33-R68 IonicContact OE1-NH2 3.5Å; E33-R68 PolarHBondContact OE1-NH2 2.98Å; E33-R68 IonicContact OE2-CZ 3.11Å; E33-R68 IonicContact OE2-NH1 3.49Å; E33-R68 PolarHBondContact OE2-NH1 3.24Å; E33-R68 IonicContact OE2-NH2 3.49Å; E33-R68 PolarHBondContact OE2-NH2 3.03Å; L64-R68 WeakPolarHBondContact O-CB 3.34Å; L64-R68 PolarHBondContact O-N 3.31Å; W65-R68 PolarHBondContact O-N 3.21Å
69K92.3Very high96.4Very high55 Ų5561.5 Ų61.524%0.23931%0.311CS..THydrogen-bonded Turntrans-98.93.9179-56-67.3-80.6-171.80113.3R23 I25 W65 G66 A67 K71R23-K69 WeakPolarHBondContact O-CD 3.34Å; R23-K69 WeakPolarHBondContact O-CE 3.37Å; R23-K69 PolarHBondContact O-NZ 3.38Å; I25-K69 HydrophobicContact CG2-CD 4.34Å; I25-K69 PolarHBondContact O-NZ 3.16Å; W65-K69 HydrophobicContact CD2-CG 3.93Å; W65-K69 HydrophobicContact CE3-CD 4.39Å; W65-K69 HydrophobicContact CE3-CG 3.85Å; W65-K69 HydrophobicContact CH2-CD 3.5Å; W65-K69 HydrophobicContact CH2-CG 3.6Å; W65-K69 HydrophobicContact CZ2-CD 3.98Å; W65-K69 HydrophobicContact CZ2-CG 3.66Å; W65-K69 HydrophobicContact CZ3-CD 3.74Å; W65-K69 HydrophobicContact CZ3-CG 3.7Å; W65-K69 PolarHBondContact O-N 3.49Å; G66-K69 PolarHBondContact O-N 2.8Å; A67-K69 VanDerWaalsContact C-N 3.29Å; A67-K69 PolarHBondContact O-N 2.97Å; K69-K71 VanDerWaalsContact C-N 3.25Å; K69-K71 HydrophobicContact CB-CG 4.36Å; K69-K71 PolarHBondContact O-N 2.98Å
70C91.6Very high96.4Very high66 Ų6657 Ų5745%0.44629%0.287SS..THydrogen-bonded Turntrans47.943.3-171-56.30000114R23 G66 A67 P72R23-C70 PolarHBondContact NH1-SG 3.44Å; R23-C70 PolarHBondContact NH2-SG 2.9Å; G66-C70 CarbonylContact O-C 3.47Å; G66-C70 VanDerWaalsContact O-CA 3.26Å; G66-C70 WeakPolarHBondContact O-CA 3.39Å; G66-C70 PolarHBondContact O-N 3.16Å; A67-C70 PolarHBondContact O-N 3.24Å; C70-P72 WeakPolarHBondContact O-CD 3.37Å
71K94.3Very high96.4Very high127 Ų12760 Ų6055%0.55230%0.296SS*.  trans-109.490.4171.4-66.2-165.3173.3-161.10108.7G66 K69 Q73 M74G66-K71 WeakPolarHBondContact CA-O 3.47Å; G66-K71 PolarHBondContact O-N 3.47Å; K69-K71 VanDerWaalsContact C-N 3.25Å; K69-K71 HydrophobicContact CB-CG 4.36Å; K69-K71 PolarHBondContact O-N 2.98Å; K71-Q73 PolarHBondContact O-N 3.49Å; K71-M74 HydrophobicContact CB-CB 4.5Å; K71-M74 HydrophobicContact CB-CE 4.05Å; K71-M74 HydrophobicContact CD-CE 3.9Å; K71-M74 VanDerWaalsContact O-CB 3.28Å; K71-M74 WeakPolarHBondContact O-CB 3.24Å; K71-M74 PolarHBondContact O-N 2.92Å
72P91.5Very high96.3Very high121 Ų12161.4 Ų61.479%0.78631%0.308SS*.THydrogen-bonded Turntrans-65.3-28.1-177.125.7-34.2000112.7C70 M74C70-P72 WeakPolarHBondContact O-CD 3.37Å; P72-M74 PolarHBondContact O-N 3.5Å; P72-M74 VanDerWaalsContact O-N 3.17Å
73Q95.1Very high96.3Very high157 Ų15761.4 Ų61.473%0.73431%0.307SS*.THydrogen-bonded Turntrans-84.832.3175.9-63-63.7-17.800113.1K71 K78K71-Q73 PolarHBondContact O-N 3.49Å; Q73-K78 WeakPolarHBondContact O-CD 3.17Å; Q73-K78 PolarHBondContact O-NZ 3.34Å
74M98.1Very high96.2Very high33 Ų3359.7 Ų59.716%0.16330%0.301CS..  trans-86.8137.1172.3-171.36466.400109.7A62 K71 P72 K78A62-M74 HydrophobicContact CB-CG 4.49Å; A62-M74 VanDerWaalsContact O-CG 3.26Å; A62-M74 WeakPolarHBondContact O-CG 3.37Å; K71-M74 HydrophobicContact CB-CB 4.5Å; K71-M74 HydrophobicContact CB-CE 4.05Å; K71-M74 HydrophobicContact CD-CE 3.9Å; K71-M74 VanDerWaalsContact O-CB 3.28Å; K71-M74 WeakPolarHBondContact O-CB 3.24Å; K71-M74 PolarHBondContact O-N 2.92Å; P72-M74 PolarHBondContact O-N 3.5Å; P72-M74 VanDerWaalsContact O-N 3.17Å; M74-K78 HydrophobicContact SD-CB 4.02Å
75N98.2Very high96.2Very high66 Ų6665.3 Ų65.335%0.35332%0.322SS..  trans-143172.2177.166.71.9000109.8D77 K78 L79N75-D77 PolarHBondContact O-N 3.36Å; N75-K78 PolarHBondContact O-N 3.03Å; N75-K78 WeakPolarHBondContact OD1-CB 3.47Å; N75-K78 WeakPolarHBondContact OD1-CD 3.37Å; N75-K78 WeakPolarHBondContact OD1-CG 3.48Å; N75-K78 PolarHBondContact OD1-N 3.18Å; N75-K78 VanDerWaalsContact OD1-N 3.13Å; N75-L79 PolarHBondContact O-N 2.98Å; N75-L79 VanDerWaalsContact O-N 3.14Å
76Y98.4Very high96.2Very high29 Ų2965.4 Ų65.411%0.11432%0.322CS..Hα-helixtrans-61.2-38.8-175-176.1-102.8000113.6I55 P58 K78 L79 S80 F100 Y102I55-Y76 HydrophobicContact CD1-CE2 4.08Å; P58-Y76 HydrophobicContact CB-CD1 4.06Å; P58-Y76 HydrophobicContact CB-CD2 3.37Å; P58-Y76 HydrophobicContact CB-CE2 3.88Å; P58-Y76 HydrophobicContact CB-CG 3.48Å; P58-Y76 VanDerWaalsContact CB-CG 3.48Å; P58-Y76 WeakPolarHBondContact O-CD2 3.29Å; Y76-K78 PolarHBondContact O-N 3.47Å; Y76-L79 HydrophobicContact CE2-CD2 4.36Å; Y76-L79 PolarHBondContact O-N 3.22Å; Y76-S80 VanDerWaalsContact O-CB 3.27Å; Y76-S80 WeakPolarHBondContact O-CB 3.39Å; Y76-S80 PolarHBondContact O-N 2.84Å; Y76-F100 HydrophobicContact CD1-CE1 4.21Å; Y76-F100 AromaticContact CE1-CD1 3.8Å; Y76-F100 HydrophobicContact CE1-CD1 3.8Å; Y76-F100 AromaticContact CE1-CE1 3.67Å; Y76-F100 HydrophobicContact CE1-CE1 3.67Å; Y76-F100 AromaticContact CZ-CD1 3.74Å; Y76-Y102 PolarHBondContact OH-OH 3.22Å
77D97.9Very high96.1Very high88 Ų8868.3 Ų68.347%0.47133%0.333SS..Hα-helixtrans-64-45.3-179-178.360.4000112.2N75 L79 S80 R81 R84N75-D77 PolarHBondContact O-N 3.36Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.19Å; D77-S80 CarbonylContact O-C 3.55Å; D77-S80 PolarHBondContact O-N 2.73Å; D77-S80 VanDerWaalsContact O-N 3.14Å; D77-S80 PolarHBondContact O-OG 2.99Å; D77-S80 PolarHBondContact OD1-OG 3.02Å; D77-R81 PolarHBondContact O-N 3.09Å; D77-R84 IonicContact OD1-CZ 3.41Å; D77-R84 IonicContact OD1-NH1 2.61Å; D77-R84 PolarHBondContact OD1-NH1 3.35Å; D77-R84 IonicContact OD1-NH2 2.68Å; D77-R84 PolarHBondContact OD1-NH2 3.14Å
78K97.6Very high96Very high110 Ų11072.4 Ų72.448%0.47835%0.346SS..Hα-helixtrans-59.2-38.7175.5-68.2170.3-164.1178.90112Q73 M74 N75 Y76Q73-K78 WeakPolarHBondContact O-CD 3.17Å; Q73-K78 PolarHBondContact O-NZ 3.34Å; M74-K78 HydrophobicContact SD-CB 4.02Å; N75-K78 PolarHBondContact O-N 3.03Å; N75-K78 WeakPolarHBondContact OD1-CB 3.47Å; N75-K78 WeakPolarHBondContact OD1-CD 3.37Å; N75-K78 WeakPolarHBondContact OD1-CG 3.48Å; N75-K78 PolarHBondContact OD1-N 3.18Å; N75-K78 VanDerWaalsContact OD1-N 3.13Å; Y76-K78 PolarHBondContact O-N 3.47Å
79L98.3Very high96Very high1 Ų176.6 Ų76.61%0.00537%0.366CS..Hα-helixtrans-67.8-46.3174.4-173.1154.9000111.3L27 V61 A62 W65 N75 Y76 D77 R81 A82 L83L27-L79 HydrophobicContact CD1-CD1 3.97Å; L27-L79 HydrophobicContact CD1-CD2 4.24Å; L27-L79 HydrophobicContact CD1-CG 3.9Å; L27-L79 HydrophobicContact CD2-CD2 4.02Å; L27-L79 HydrophobicContact CD2-CG 3.92Å; V61-L79 HydrophobicContact CG1-CD1 3.89Å; A62-L79 HydrophobicContact CB-CD1 4.22Å; W65-L79 HydrophobicContact CB-CD1 3.78Å; W65-L79 HydrophobicContact CG-CD1 3.95Å; N75-L79 PolarHBondContact O-N 2.98Å; N75-L79 VanDerWaalsContact O-N 3.14Å; Y76-L79 HydrophobicContact CE2-CD2 4.36Å; Y76-L79 PolarHBondContact O-N 3.22Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.19Å; L79-R81 PolarHBondContact O-N 3.49Å; L79-A82 WeakPolarHBondContact O-CA 3.37Å; L79-A82 WeakPolarHBondContact O-CB 3.27Å; L79-A82 PolarHBondContact O-N 3.39Å; L79-L83 HydrophobicContact CD2-CD1 3.78Å; L79-L83 HydrophobicContact CD2-CD2 4.43Å; L79-L83 HydrophobicContact CD2-CG 3.97Å; L79-L83 PolarHBondContact O-N 3.25Å; L79-L83 VanDerWaalsContact O-N 3.17Å
80S98.2Very high96Very high2 Ų281.3 Ų81.31%0.01438%0.382CS..Hα-helixtrans-63.4-30.1179.3850000111.9Y76 D77 A82 L83 R84Y76-S80 VanDerWaalsContact O-CB 3.27Å; Y76-S80 WeakPolarHBondContact O-CB 3.39Å; Y76-S80 PolarHBondContact O-N 2.84Å; D77-S80 CarbonylContact O-C 3.55Å; D77-S80 PolarHBondContact O-N 2.73Å; D77-S80 VanDerWaalsContact O-N 3.14Å; D77-S80 PolarHBondContact O-OG 2.99Å; D77-S80 PolarHBondContact OD1-OG 3.02Å; S80-A82 PolarHBondContact O-N 3.12Å; S80-L83 WeakPolarHBondContact O-CB 3.26Å; S80-L83 PolarHBondContact O-N 3.14Å; S80-L83 VanDerWaalsContact O-N 3.11Å; S80-R84 VanDerWaalsContact O-CG 3.24Å; S80-R84 WeakPolarHBondContact O-CG 3.16Å; S80-R84 PolarHBondContact O-N 3.13Å; S80-R84 PolarHBondContact OG-NH1 3.47Å; S80-R84 VanDerWaalsContact OG-NH1 3.16Å; S80-R84 PolarHBondContact OG-NH2 3.33Å; S80-R84 VanDerWaalsContact OG-NH2 3.07Å
81R98Very high96.1Very high108 Ų10879 Ų7941%0.40837%0.365SS..Hα-helixtrans-59.4-34.6172.2-169.668.3-166.685.3-12.6112.2D77 L79 Y85D77-R81 PolarHBondContact O-N 3.09Å; L79-R81 PolarHBondContact O-N 3.49Å; R81-Y85 HydrophobicContact CG-CE2 4.22Å; R81-Y85 VanDerWaalsContact NH1-CE2 3.35Å; R81-Y85 PolarHBondContact NH2-OH 3.37Å; R81-Y85 WeakPolarHBondContact O-CD2 3.28Å; R81-Y85 PolarHBondContact O-N 2.98Å
82A95.7Very high96.2Very high30 Ų3073 Ų7325%0.24834%0.339CS..Hα-helixtrans-75.3-38.3172.500000112.8L27 L79 S80 R84 Y85 Y86L27-A82 HydrophobicContact CD2-CB 3.65Å; L79-A82 WeakPolarHBondContact O-CA 3.37Å; L79-A82 WeakPolarHBondContact O-CB 3.27Å; L79-A82 PolarHBondContact O-N 3.39Å; S80-A82 PolarHBondContact O-N 3.12Å; A82-R84 VanDerWaalsContact C-N 3.32Å; A82-R84 PolarHBondContact O-N 3.14Å; A82-Y85 PolarHBondContact O-N 2.84Å; A82-Y85 VanDerWaalsContact O-N 3.15Å; A82-Y86 PolarHBondContact O-N 2.95Å
83L98Very high96.4Very high0 Ų070.4 Ų70.40%032%0.316CS..Hα-helixtrans-59.4-42.9171.6-58.2-179.5000111.7L27 I31 I55 L79 S80 Y85 Y86 Y87 L92 Y102L27-L83 HydrophobicContact CD2-CD2 3.73Å; L27-L83 HydrophobicContact CD2-CG 4.19Å; L27-L83 HydrophobicContact CG-CD2 4.3Å; I31-L83 HydrophobicContact CD1-CD2 3.64Å; I55-L83 HydrophobicContact CD1-CD1 4.23Å; L79-L83 HydrophobicContact CD2-CD1 3.78Å; L79-L83 HydrophobicContact CD2-CD2 4.43Å; L79-L83 HydrophobicContact CD2-CG 3.97Å; L79-L83 PolarHBondContact O-N 3.25Å; L79-L83 VanDerWaalsContact O-N 3.17Å; S80-L83 WeakPolarHBondContact O-CB 3.26Å; S80-L83 PolarHBondContact O-N 3.14Å; S80-L83 VanDerWaalsContact O-N 3.11Å; L83-Y85 VanDerWaalsContact C-N 3.26Å; L83-Y85 PolarHBondContact O-N 2.84Å; L83-Y86 HydrophobicContact CD2-CD2 4.27Å; L83-Y86 WeakPolarHBondContact O-CB 3.49Å; L83-Y86 PolarHBondContact O-N 3.17Å; L83-Y87 WeakPolarHBondContact O-CD1 3.49Å; L83-Y87 VanDerWaalsContact O-CE1 3.27Å; L83-Y87 WeakPolarHBondContact O-CE1 3.27Å; L83-L92 HydrophobicContact CD2-CD2 4.01Å; L83-Y102 HydrophobicContact CB-CE1 4.11Å; L83-Y102 HydrophobicContact CD1-CD2 4.35Å; L83-Y102 HydrophobicContact CD1-CE1 4.12Å; L83-Y102 HydrophobicContact CD1-CE2 3.78Å
84R97.6Very high96.5Very high104 Ų10466.1 Ų66.139%0.39230%0.295SS..Hα-helixtrans-57.4-35.1175-67.1166-167.2140.7-1.9112.2D77 S80 A82 Y86 Y87D77-R84 IonicContact OD1-CZ 3.41Å; D77-R84 IonicContact OD1-NH1 2.61Å; D77-R84 PolarHBondContact OD1-NH1 3.35Å; D77-R84 IonicContact OD1-NH2 2.68Å; D77-R84 PolarHBondContact OD1-NH2 3.14Å; S80-R84 VanDerWaalsContact O-CG 3.24Å; S80-R84 WeakPolarHBondContact O-CG 3.16Å; S80-R84 PolarHBondContact O-N 3.13Å; S80-R84 PolarHBondContact OG-NH1 3.47Å; S80-R84 VanDerWaalsContact OG-NH1 3.16Å; S80-R84 PolarHBondContact OG-NH2 3.33Å; S80-R84 VanDerWaalsContact OG-NH2 3.07Å; A82-R84 VanDerWaalsContact C-N 3.32Å; A82-R84 PolarHBondContact O-N 3.14Å; R84-Y86 VanDerWaalsContact C-N 3.34Å; R84-Y86 PolarHBondContact O-N 3.4Å; R84-Y87 HydrophobicContact CB-CE2 4.27Å; R84-Y87 HydrophobicContact CG-CE2 4.27Å; R84-Y87 WeakPolarHBondContact O-CD2 3.24Å
85Y96.7Very high96.5Very high139 Ų13965.5 Ų65.555%0.54529%0.293SS..Hα-helixtrans-72-22174.5-69.9-56.9000113.8R81 A82 L83 Y87R81-Y85 HydrophobicContact CG-CE2 4.22Å; R81-Y85 VanDerWaalsContact NH1-CE2 3.35Å; R81-Y85 PolarHBondContact NH2-OH 3.37Å; R81-Y85 WeakPolarHBondContact O-CD2 3.28Å; R81-Y85 PolarHBondContact O-N 2.98Å; A82-Y85 PolarHBondContact O-N 2.84Å; A82-Y85 VanDerWaalsContact O-N 3.15Å; L83-Y85 VanDerWaalsContact C-N 3.26Å; L83-Y85 PolarHBondContact O-N 2.84Å; Y85-Y87 VanDerWaalsContact C-N 3.32Å; Y85-Y87 PolarHBondContact O-N 3.07Å
86Y96.4Very high96.3Very high25 Ų2571.6 Ų71.610%0.09832%0.317CS..Hα-helixtrans-76.1-15.3-179.8-67.6-35.7000114.4L27 W28 A82 L83 R84 R90 I91 L92L27-Y86 HydrophobicContact CB-CE2 4.09Å; L27-Y86 HydrophobicContact CD2-CE2 4.26Å; L27-Y86 HydrophobicContact CG-CE2 4.32Å; W28-Y86 HydrophobicContact CB-CD2 4.32Å; W28-Y86 HydrophobicContact CB-CE2 3.83Å; W28-Y86 AromaticContact CD1-CZ 3.76Å; A82-Y86 PolarHBondContact O-N 2.95Å; L83-Y86 HydrophobicContact CD2-CD2 4.27Å; L83-Y86 WeakPolarHBondContact O-CB 3.49Å; L83-Y86 PolarHBondContact O-N 3.17Å; R84-Y86 VanDerWaalsContact C-N 3.34Å; R84-Y86 PolarHBondContact O-N 3.4Å; Y86-R90 PolarHBondContact O-N 2.74Å; Y86-R90 VanDerWaalsContact O-N 3.16Å; Y86-I91 HydrophobicContact CD1-CB 4.43Å; Y86-I91 HydrophobicContact CD1-CD1 3.93Å; Y86-I91 HydrophobicContact CD1-CG2 4.48Å; Y86-I91 HydrophobicContact CE1-CD1 4.35Å; Y86-I91 HydrophobicContact CG-CB 4.42Å; Y86-I91 HydrophobicContact CG-CG2 4.36Å; Y86-I91 PolarHBondContact O-N 3.25Å; Y86-L92 CarbonylContact C-O 3.53Å; Y86-L92 HydrophobicContact CD2-CD1 4.08Å; Y86-L92 HydrophobicContact CG-CD1 4.44Å
87Y95.2Very high96.2Very high64 Ų6474.6 Ų74.625%0.25136%0.356SS..Hα-helixtrans-62.3-55176.1-50.2-17.4000111.4L83 R84 Y85 K89 R90 L92 K94 Y102L83-Y87 WeakPolarHBondContact O-CD1 3.49Å; L83-Y87 VanDerWaalsContact O-CE1 3.27Å; L83-Y87 WeakPolarHBondContact O-CE1 3.27Å; R84-Y87 HydrophobicContact CB-CE2 4.27Å; R84-Y87 HydrophobicContact CG-CE2 4.27Å; R84-Y87 WeakPolarHBondContact O-CD2 3.24Å; Y85-Y87 VanDerWaalsContact C-N 3.32Å; Y85-Y87 PolarHBondContact O-N 3.07Å; Y87-K89 VanDerWaalsContact C-N 3.29Å; Y87-K89 PolarHBondContact O-N 3.05Å; Y87-R90 WeakPolarHBondContact O-CA 3.37Å; Y87-R90 PolarHBondContact O-N 3.16Å; Y87-L92 VanDerWaalsContact CA-O 3.29Å; Y87-L92 WeakPolarHBondContact CA-O 3.44Å; Y87-K94 HydrophobicContact CD1-CB 4.49Å; Y87-K94 HydrophobicContact CE1-CB 3.81Å; Y87-K94 HydrophobicContact CE2-CB 4.12Å; Y87-Y102 HydrophobicContact CE1-CD1 4.2Å; Y87-Y102 HydrophobicContact CE1-CE1 4.07Å; Y87-Y102 WeakPolarHBondContact OH-CE1 3.32Å
88N93.6Very high96.1Very high148 Ų14874.7 Ų74.779%0.79135%0.352SS*.Hα-helixtrans-66.6-33.5-179-66.613.2000111.4R90N88-R90 PolarHBondContact O-N 2.84Å
89K92.5Very high96.1Very high136 Ų13678.8 Ų78.859%0.59137%0.365SS*.THydrogen-bonded Turntrans-71.2-3.9171.9-62.7-167.469173.20113.8Y87 I91Y87-K89 VanDerWaalsContact C-N 3.29Å; Y87-K89 PolarHBondContact O-N 3.05Å; K89-I91 HydrophobicContact CB-CD1 3.75Å; K89-I91 HydrophobicContact CB-CG1 4.07Å; K89-I91 HydrophobicContact CD-CD1 4.21Å; K89-I91 PolarHBondContact O-N 3.46Å
90R92.9Very high96.1Very high153 Ų15381.3 Ų81.358%0.57738%0.376SS*.THydrogen-bonded Turntrans5531.1-178.1-53.2-66.4-168.6153.46.9113.3Y86 Y87 N88 N105 K108Y86-R90 PolarHBondContact O-N 2.74Å; Y86-R90 VanDerWaalsContact O-N 3.16Å; Y87-R90 WeakPolarHBondContact O-CA 3.37Å; Y87-R90 PolarHBondContact O-N 3.16Å; N88-R90 PolarHBondContact O-N 2.84Å; R90-N105 VanDerWaalsContact O-CB 3.24Å; R90-N105 WeakPolarHBondContact O-CB 3.49Å; R90-N105 PolarHBondContact O-ND2 3.39Å; R90-K108 HydrophobicContact CB-CG 4.5Å
91I94.2Very high96.1Very high18 Ų1881.4 Ų81.49%0.09238%0.376CS..SBendtrans-90.5-47.8179.3-68.4164.4000110.1W28 Y86 K89 N105 L109W28-I91 HydrophobicContact CB-CG2 4.02Å; W28-I91 HydrophobicContact CD2-CG2 4.14Å; W28-I91 HydrophobicContact CG-CG2 3.91Å; Y86-I91 HydrophobicContact CD1-CB 4.43Å; Y86-I91 HydrophobicContact CD1-CD1 3.93Å; Y86-I91 HydrophobicContact CD1-CG2 4.48Å; Y86-I91 HydrophobicContact CE1-CD1 4.35Å; Y86-I91 HydrophobicContact CG-CB 4.42Å; Y86-I91 HydrophobicContact CG-CG2 4.36Å; Y86-I91 PolarHBondContact O-N 3.25Å; K89-I91 HydrophobicContact CB-CD1 3.75Å; K89-I91 HydrophobicContact CB-CG1 4.07Å; K89-I91 HydrophobicContact CD-CD1 4.21Å; K89-I91 PolarHBondContact O-N 3.46Å; I91-N105 PolarHBondContact O-N 3.5Å; I91-L109 HydrophobicContact CB-CD2 4.29Å; I91-L109 HydrophobicContact CG1-CD2 4.06Å; I91-L109 HydrophobicContact CG2-CD1 4.49Å; I91-L109 HydrophobicContact CG2-CD2 3.8Å
92L96.1Very high96.1Very high0 Ų076.8 Ų76.80%036%0.359CS..EExtended strand (participates in β ladder)trans-123.2150.3169.2-79.569.8000108.7W28 F53 L83 Y86 Y87 Y102 K103 F104W28-L92 HydrophobicContact CB-CD1 4.1Å; F53-L92 HydrophobicContact CE1-CD2 3.9Å; F53-L92 HydrophobicContact CE1-CG 4.39Å; F53-L92 HydrophobicContact CZ-CD2 3.76Å; L83-L92 HydrophobicContact CD2-CD2 4.01Å; Y86-L92 CarbonylContact C-O 3.53Å; Y86-L92 HydrophobicContact CD2-CD1 4.08Å; Y86-L92 HydrophobicContact CG-CD1 4.44Å; Y87-L92 VanDerWaalsContact CA-O 3.29Å; Y87-L92 WeakPolarHBondContact CA-O 3.44Å; L92-Y102 HydrophobicContact CD2-CG 4.49Å; L92-K103 CarbonylContact C-O 3.58Å; L92-K103 WeakPolarHBondContact CA-O 3.49Å; L92-F104 HydrophobicContact CD1-CD1 3.71Å; L92-F104 HydrophobicContact CD1-CE1 3.45Å; L92-F104 VanDerWaalsContact CD1-CE1 3.45Å; L92-F104 HydrophobicContact CD1-CZ 4.12Å; L92-F104 HydrophobicContact CG-CD1 4.12Å; L92-F104 HydrophobicContact CG-CE1 4.12Å
93H96.3Very high96.1Very high68 Ų6878.3 Ų78.332%0.31536%0.36SS..EExtended strand (participates in β ladder)trans-108.3152.2162.6-59.1-62.2000109.8Y102 K103 N105H93-Y102 WeakPolarHBondContact O-CA 3.17Å; H93-K103 PolarHBondContact N-O 2.81Å; H93-K103 PolarHBondContact O-N 3.03Å; H93-N105 PolarHBondContact NE2-ND2 2.99Å
94K96.6Very high96Very high67 Ų6778.7 Ų78.729%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-86.6120170.3175.958.9-167.1154.10109.8Y87 K96 K98 T101 Y102Y87-K94 HydrophobicContact CD1-CB 4.49Å; Y87-K94 HydrophobicContact CE1-CB 3.81Å; Y87-K94 HydrophobicContact CE2-CB 4.12Å; K94-K96 PolarHBondContact O-N 2.84Å; K94-K98 PolarHBondContact NZ-O 3.11Å; K94-T101 WeakPolarHBondContact CD-O 3.41Å; K94-T101 PolarHBondContact NZ-O 3.17Å; K94-Y102 HydrophobicContact CD-CD1 3.94Å; K94-Y102 HydrophobicContact CD-CE1 3.66Å
95T97.2Very high95.8Very high20 Ų2075.1 Ų75.112%0.12335%0.35CS..PPolyproline II helixtrans-65.1119.3168.3-46.30000108.7E52 K98 T101E52-T95 WeakPolarHBondContact OE1-CB 3.29Å; E52-T95 WeakPolarHBondContact OE1-CG2 3.39Å; E52-T95 PolarHBondContact OE1-OG1 3.29Å; T95-K98 HydrophobicContact CG2-CB 4.32Å; T95-K98 HydrophobicContact CG2-CD 3.87Å; T95-K98 HydrophobicContact CG2-CG 4.07Å; T95-T101 HydrophobicContact CG2-CG2 4.49Å
96K95.6Very high95.3Very high194 Ų19469.6 Ų69.684%0.84333%0.329SS*.SBendtrans-70.3156.4176.6-66.4-175.1178.2-176.90110.1K94 K98K94-K96 PolarHBondContact O-N 2.84Å; K96-K98 PolarHBondContact O-N 3.45Å
97G96.1Very high94.4Very high91 Ų9175 Ų7594%0.93836%0.359SS*.SBendtrans72.9-41.8-178.400000115.1
98K96.3Very high93.2Very high91 Ų9176.7 Ų76.740%0.39637%0.368SS..SBendtrans-83.9128.8-176.6-53.8-172.4-171.1173.80112.7E52 K94 T95 K96 T101E52-K98 IonicContact OE2-NZ 2.68Å; E52-K98 PolarHBondContact OE2-NZ 3.31Å; K94-K98 PolarHBondContact NZ-O 3.11Å; T95-K98 HydrophobicContact CG2-CB 4.32Å; T95-K98 HydrophobicContact CG2-CD 3.87Å; T95-K98 HydrophobicContact CG2-CG 4.07Å; K96-K98 PolarHBondContact O-N 3.45Å; K98-T101 VanDerWaalsContact CB-OG1 3.26Å; K98-T101 WeakPolarHBondContact CB-OG1 3.18Å; K98-T101 HydrophobicContact CD-CG2 4.07Å
99R97.1Very high91.9Very high196 Ų19670.2 Ų70.274%0.7433%0.333SS*.SBendtrans-68.3141.1170.5-66.9-176.470.3-156.32.1109.9T101R99-T101 PolarHBondContact O-N 3.5Å; R99-T101 PolarHBondContact O-OG1 2.95Å
100F98.1Very high90.4Very high54 Ų5467 Ų6724%0.23733%0.325CS..SBendtrans54.80.7175.1-47.5-52000118.5I55 P58 Y76 Y102I55-F100 HydrophobicContact CB-CB 4.23Å; I55-F100 PolarHBondContact N-O 3.36Å; I55-F100 VanDerWaalsContact O-CB 3.23Å; I55-F100 WeakPolarHBondContact O-CB 3.29Å; P58-F100 HydrophobicContact CB-CE1 4.38Å; P58-F100 HydrophobicContact CB-CZ 4.49Å; P58-F100 HydrophobicContact CG-CE2 4.25Å; P58-F100 HydrophobicContact CG-CZ 4.16Å; Y76-F100 HydrophobicContact CD1-CE1 4.21Å; Y76-F100 AromaticContact CE1-CD1 3.8Å; Y76-F100 HydrophobicContact CE1-CD1 3.8Å; Y76-F100 AromaticContact CE1-CE1 3.67Å; Y76-F100 HydrophobicContact CE1-CE1 3.67Å; Y76-F100 AromaticContact CZ-CD1 3.74Å; F100-Y102 WeakPolarHBondContact O-CD2 3.46Å; F100-Y102 VanDerWaalsContact O-CE2 3.26Å; F100-Y102 WeakPolarHBondContact O-CE2 3.42Å
101T98Very high88.4Confident3 Ų365 Ų652%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-85.1140.6174.7-39.60000113.2E52 F53 V54 K94 T95 K98 R99E52-T101 HydrophobicContact CG-CG2 3.42Å; E52-T101 VanDerWaalsContact CG-CG2 3.42Å; F53-T101 CarbonylContact O-C 3.53Å; F53-T101 VanDerWaalsContact O-CA 3.28Å; F53-T101 WeakPolarHBondContact O-CA 3.45Å; F53-T101 VanDerWaalsContact O-CG2 3.26Å; F53-T101 WeakPolarHBondContact O-CG2 3.47Å; V54-T101 HydrophobicContact CB-CG2 4.48Å; K94-T101 WeakPolarHBondContact CD-O 3.41Å; K94-T101 PolarHBondContact NZ-O 3.17Å; T95-T101 HydrophobicContact CG2-CG2 4.49Å; K98-T101 VanDerWaalsContact CB-OG1 3.26Å; K98-T101 WeakPolarHBondContact CB-OG1 3.18Å; K98-T101 HydrophobicContact CD-CG2 4.07Å; R99-T101 PolarHBondContact O-N 3.5Å; R99-T101 PolarHBondContact O-OG1 2.95Å
102Y97.9Very high86.1Confident12 Ų1269.1 Ų69.15%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-143.6156.1179.9-61.5-93.5000110.3E52 F53 I55 Y76 L83 Y87 L92 H93 K94 F100E52-Y102 WeakPolarHBondContact CA-O 3.45Å; F53-Y102 VanDerWaalsContact CD1-O 3.23Å; F53-Y102 WeakPolarHBondContact CD1-O 3.48Å; F53-Y102 HydrophobicContact CE2-CD2 4.32Å; F53-Y102 HydrophobicContact CZ-CD2 4.31Å; F53-Y102 HydrophobicContact CZ-CG 4.26Å; F53-Y102 PolarHBondContact N-O 2.83Å; F53-Y102 PolarHBondContact O-N 3.44Å; I55-Y102 HydrophobicContact CD1-CE2 4.34Å; Y76-Y102 PolarHBondContact OH-OH 3.22Å; L83-Y102 HydrophobicContact CB-CE1 4.11Å; L83-Y102 HydrophobicContact CD1-CD2 4.35Å; L83-Y102 HydrophobicContact CD1-CE1 4.12Å; L83-Y102 HydrophobicContact CD1-CE2 3.78Å; Y87-Y102 HydrophobicContact CE1-CD1 4.2Å; Y87-Y102 HydrophobicContact CE1-CE1 4.07Å; Y87-Y102 WeakPolarHBondContact OH-CE1 3.32Å; L92-Y102 HydrophobicContact CD2-CG 4.49Å; H93-Y102 WeakPolarHBondContact O-CA 3.17Å; K94-Y102 HydrophobicContact CD-CD1 3.94Å; K94-Y102 HydrophobicContact CD-CE1 3.66Å; F100-Y102 WeakPolarHBondContact O-CD2 3.46Å; F100-Y102 VanDerWaalsContact O-CE2 3.26Å; F100-Y102 WeakPolarHBondContact O-CE2 3.42Å
103K96.4Very high83.6Confident62 Ų6272.2 Ų72.227%0.2737%0.368SS..EExtended strand (participates in β ladder)trans-122.8122-179.9-165.7167.4-172.7-177.60112.1D49 Y50 G51 E52 L92 H93D49-K103 IonicContact OD2-NZ 2.71Å; D49-K103 PolarHBondContact OD2-NZ 3.43Å; Y50-K103 WeakPolarHBondContact O-CE 3.47Å; G51-K103 CarbonylContact O-C 3.5Å; G51-K103 WeakPolarHBondContact O-CA 3.07Å; E52-K103 HydrophobicContact CB-CB 4.28Å; E52-K103 HydrophobicContact CB-CD 4.18Å; E52-K103 HydrophobicContact CB-CG 4.03Å; E52-K103 HydrophobicContact CG-CB 4.5Å; L92-K103 CarbonylContact C-O 3.58Å; L92-K103 WeakPolarHBondContact CA-O 3.49Å; H93-K103 PolarHBondContact N-O 2.81Å; H93-K103 PolarHBondContact O-N 3.03Å
104F96.3Very high80.9Confident7 Ų775.3 Ų75.33%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-67.8136.2173.8-85.7-76.4000111.3W28 I31 L32 L35 W46 G51 F53 L92 F106 L109W28-F104 HydrophobicContact CB-CE1 4.24Å; W28-F104 HydrophobicContact CE3-CE1 4.41Å; I31-F104 HydrophobicContact CB-CZ 4.33Å; I31-F104 HydrophobicContact CG2-CE2 3.78Å; I31-F104 HydrophobicContact CG2-CZ 3.72Å; L32-F104 HydrophobicContact CD1-CE1 4.19Å; L32-F104 HydrophobicContact CD1-CZ 4.35Å; L32-F104 HydrophobicContact CD2-CD1 4.38Å; L32-F104 HydrophobicContact CD2-CD2 3.93Å; L32-F104 HydrophobicContact CD2-CE1 4.03Å; L32-F104 HydrophobicContact CD2-CE2 3.55Å; L32-F104 HydrophobicContact CD2-CG 4.32Å; L32-F104 HydrophobicContact CD2-CZ 3.61Å; L32-F104 HydrophobicContact CG-CE1 3.93Å; L32-F104 HydrophobicContact CG-CE2 4.07Å; L32-F104 HydrophobicContact CG-CZ 3.6Å; L35-F104 HydrophobicContact CD1-CE2 3.97Å; W46-F104 AromaticContact CH2-CD2 3.83Å; W46-F104 HydrophobicContact CH2-CD2 3.83Å; W46-F104 HydrophobicContact CH2-CE2 4.17Å; W46-F104 AromaticContact CZ3-CD2 3.87Å; W46-F104 HydrophobicContact CZ3-CD2 3.87Å; W46-F104 HydrophobicContact CZ3-CE2 4.47Å; G51-F104 PolarHBondContact O-N 3.2Å; F53-F104 AromaticContact CD1-CD2 3.54Å; F53-F104 HydrophobicContact CD1-CD2 3.54Å; F53-F104 AromaticContact CD1-CE2 3.59Å; F53-F104 HydrophobicContact CD1-CE2 3.59Å; F53-F104 AromaticContact CE1-CD2 3.48Å; F53-F104 HydrophobicContact CE1-CD2 3.48Å; F53-F104 VanDerWaalsContact CE1-CD2 3.48Å; F53-F104 AromaticContact CE1-CE2 3.28Å; F53-F104 HydrophobicContact CE1-CE2 3.28Å; F53-F104 HydrophobicContact CE1-CG 4.41Å; F53-F104 HydrophobicContact CE1-CZ 4.09Å; F53-F104 HydrophobicContact CZ-CE2 4.02Å; L92-F104 HydrophobicContact CD1-CD1 3.71Å; L92-F104 HydrophobicContact CD1-CE1 3.45Å; L92-F104 VanDerWaalsContact CD1-CE1 3.45Å; L92-F104 HydrophobicContact CD1-CZ 4.12Å; L92-F104 HydrophobicContact CG-CD1 4.12Å; L92-F104 HydrophobicContact CG-CE1 4.12Å; F104-F106 HydrophobicContact CB-CD1 4.32Å; F104-F106 HydrophobicContact CB-CD2 4.41Å; F104-F106 HydrophobicContact CB-CE1 3.96Å; F104-F106 HydrophobicContact CB-CE2 4.1Å; F104-F106 HydrophobicContact CB-CZ 3.86Å; F104-F106 HydrophobicContact CG-CE1 4.32Å; F104-F106 HydrophobicContact CG-CZ 4.34Å; F104-F106 PolarHBondContact O-N 2.97Å; F104-L109 HydrophobicContact CD1-CD1 3.72Å; F104-L109 HydrophobicContact CE1-CD1 4.29Å
105N93Very high78.4Confident29 Ų2976.8 Ų76.816%0.15539%0.394CS..  trans-9772.6176.1-175.310.9000110.4R90 I91 H93 N107 K108 L109R90-N105 VanDerWaalsContact O-CB 3.24Å; R90-N105 WeakPolarHBondContact O-CB 3.49Å; R90-N105 PolarHBondContact O-ND2 3.39Å; I91-N105 PolarHBondContact O-N 3.5Å; H93-N105 PolarHBondContact NE2-ND2 2.99Å; N105-N107 PolarHBondContact O-N 3.46Å; N105-K108 WeakPolarHBondContact ND2-CG 3.36Å; N105-K108 PolarHBondContact O-N 3.03Å; N105-L109 PolarHBondContact O-N 3.16Å
106F85.4Confident75.6Confident24 Ų2484.5 Ų84.511%0.10543%0.426CS..Hα-helixtrans-55.9-34.7-177.2-66.6-56.8000112.9F9 L32 W46 Y50 F104 K108 L109 V110F9-F106 HydrophobicContact CE1-CD1 4.49Å; F9-F106 AromaticContact CE1-CE1 3.81Å; F9-F106 HydrophobicContact CE1-CE1 3.81Å; F9-F106 AromaticContact CE1-CZ 3.97Å; F9-F106 HydrophobicContact CE1-CZ 3.97Å; F9-F106 HydrophobicContact CZ-CE1 4.5Å; F9-F106 HydrophobicContact CZ-CZ 4.24Å; L32-F106 HydrophobicContact CD2-CE1 4.24Å; L32-F106 HydrophobicContact CD2-CZ 4.43Å; W46-F106 AromaticContact CH2-CZ 3.89Å; W46-F106 HydrophobicContact CH2-CZ 3.89Å; W46-F106 HydrophobicContact CZ3-CZ 4.29Å; Y50-F106 HydrophobicContact CD1-CD2 4.17Å; Y50-F106 AromaticContact CE1-CD2 3.53Å; Y50-F106 HydrophobicContact CE1-CD2 3.53Å; Y50-F106 HydrophobicContact CE1-CE2 4.02Å; Y50-F106 HydrophobicContact CE1-CG 4.47Å; Y50-F106 AromaticContact CZ-CD2 3.9Å; F104-F106 HydrophobicContact CB-CD1 4.32Å; F104-F106 HydrophobicContact CB-CD2 4.41Å; F104-F106 HydrophobicContact CB-CE1 3.96Å; F104-F106 HydrophobicContact CB-CE2 4.1Å; F104-F106 HydrophobicContact CB-CZ 3.86Å; F104-F106 HydrophobicContact CG-CE1 4.32Å; F104-F106 HydrophobicContact CG-CZ 4.34Å; F104-F106 PolarHBondContact O-N 2.97Å; F106-K108 PolarHBondContact O-N 2.92Å; F106-K108 VanDerWaalsContact O-N 3.1Å; F106-L109 HydrophobicContact CD1-CD1 4.31Å; F106-L109 PolarHBondContact O-N 3.34Å; F106-L109 VanDerWaalsContact O-N 3.07Å; F106-V110 WeakPolarHBondContact O-CB 3.43Å; F106-V110 WeakPolarHBondContact O-CG2 3.24Å; F106-V110 PolarHBondContact O-N 3.38Å
107N78.5Confident73Confident137 Ų13779.8 Ų79.873%0.73341%0.409SS*.Hα-helixtrans-59.1-24.5176.9-62.69.3000113.5N105N105-N107 PolarHBondContact O-N 3.46Å
108K68.3Low70.4Confident101 Ų10181.1 Ų81.144%0.43940%0.395SS..Hα-helixtrans-99.4-29.1170.3-70.6-59.8-173.9-174.40113.5R90 N105 F106 L111 V112R90-K108 HydrophobicContact CB-CG 4.5Å; N105-K108 WeakPolarHBondContact ND2-CG 3.36Å; N105-K108 PolarHBondContact O-N 3.03Å; F106-K108 PolarHBondContact O-N 2.92Å; F106-K108 VanDerWaalsContact O-N 3.1Å; K108-L111 PolarHBondContact O-N 2.71Å; K108-V112 WeakPolarHBondContact O-CB 3.13Å; K108-V112 WeakPolarHBondContact O-CG2 3.26Å; K108-V112 PolarHBondContact O-N 3.33Å
109L67Low67.8Low11 Ų1185.2 Ų85.26%0.05842%0.417CS..Hα-helixtrans-66.4-42.1174.3-70.5178.2000113W28 I91 F104 N105 F106 N113W28-L109 HydrophobicContact CD2-CD2 4.45Å; W28-L109 HydrophobicContact CE3-CD1 4.04Å; W28-L109 HydrophobicContact CE3-CD2 4.09Å; W28-L109 HydrophobicContact CH2-CD2 3.75Å; W28-L109 HydrophobicContact CZ2-CD2 4.14Å; W28-L109 HydrophobicContact CZ3-CD1 3.86Å; W28-L109 HydrophobicContact CZ3-CD2 3.74Å; W28-L109 HydrophobicContact CZ3-CG 4.35Å; I91-L109 HydrophobicContact CB-CD2 4.29Å; I91-L109 HydrophobicContact CG1-CD2 4.06Å; I91-L109 HydrophobicContact CG2-CD1 4.49Å; I91-L109 HydrophobicContact CG2-CD2 3.8Å; F104-L109 HydrophobicContact CD1-CD1 3.72Å; F104-L109 HydrophobicContact CE1-CD1 4.29Å; N105-L109 PolarHBondContact O-N 3.16Å; F106-L109 HydrophobicContact CD1-CD1 4.31Å; F106-L109 PolarHBondContact O-N 3.34Å; F106-L109 VanDerWaalsContact O-N 3.07Å; L109-N113 PolarHBondContact O-N 3Å
110V60.4Low65Low70 Ų7078.5 Ų78.542%0.42441%0.409SS..Hα-helixtrans-62.1-44.5174.21750000110.4F106 Y114F106-V110 WeakPolarHBondContact O-CB 3.43Å; F106-V110 WeakPolarHBondContact O-CG2 3.24Å; F106-V110 PolarHBondContact O-N 3.38Å; V110-Y114 WeakPolarHBondContact O-CB 3.47Å; V110-Y114 PolarHBondContact O-N 3.11Å
111L50.6Low62.6Low109 Ų10981.5 Ų81.557%0.57144%0.437SS*.Hα-helixtrans-73.1-39.6-176.7-154.876.9000113.3K108 N113 Y114K108-L111 PolarHBondContact O-N 2.71Å; L111-N113 VanDerWaalsContact C-N 3.31Å; L111-N113 PolarHBondContact O-N 3.22Å; L111-Y114 PolarHBondContact O-N 3.21Å
112V47.7Very low59.6Low105 Ų10587.2 Ų87.264%0.63648%0.477SS*.Hα-helixtrans-76.3-17.8-178.5172.60000112.5K108 P115K108-V112 WeakPolarHBondContact O-CB 3.13Å; K108-V112 WeakPolarHBondContact O-CG2 3.26Å; K108-V112 PolarHBondContact O-N 3.33Å; V112-P115 VanDerWaalsContact O-CD 3.23Å; V112-P115 WeakPolarHBondContact O-CD 3.45Å
113N43.7Very low57.1Low66 Ų6690.7 Ų90.735%0.35352%0.516SS..THydrogen-bonded Turntrans-10413.5169.1-114.6-29000114.1W12 L109 L111W12-N113 HydrophobicContact CD2-CB 3.66Å; W12-N113 HydrophobicContact CE3-CB 3.88Å; W12-N113 HydrophobicContact CG-CB 4.25Å; W12-N113 HydrophobicContact CH2-CB 3.98Å; W12-N113 HydrophobicContact CZ2-CB 3.7Å; W12-N113 HydrophobicContact CZ3-CB 4.07Å; W12-N113 WeakPolarHBondContact CZ3-ND2 3.21Å; L109-N113 PolarHBondContact O-N 3Å; L111-N113 VanDerWaalsContact C-N 3.31Å; L111-N113 PolarHBondContact O-N 3.22Å
114Y39.6Very low54.3Low133 Ų13399.3 Ų99.352%0.52255%0.547SS..  trans-94.67.9166.4-121-98.8000117.7V110 L111 F116 I117V110-Y114 WeakPolarHBondContact O-CB 3.47Å; V110-Y114 PolarHBondContact O-N 3.11Å; L111-Y114 PolarHBondContact O-N 3.21Å; Y114-F116 PolarHBondContact O-N 2.85Å; Y114-I117 HydrophobicContact CD1-CD1 4.46Å; Y114-I117 HydrophobicContact CD1-CG1 4.34Å; Y114-I117 HydrophobicContact CE1-CD1 3.47Å; Y114-I117 VanDerWaalsContact CE1-CD1 3.47Å; Y114-I117 HydrophobicContact CE1-CG1 3.79Å
115P43.4Very low51.4Low97 Ų97102.4 Ų102.463%0.6358%0.581SS**SBendtrans-82.241.4-176.838.6-38000113V112V112-P115 VanDerWaalsContact O-CD 3.23Å; V112-P115 WeakPolarHBondContact O-CD 3.45Å
116F38.9Very low48.8Very low183 Ų183107.4 Ų107.480%0.80361%0.612SS**  trans-167.771.5158.9-124.7-79.2000111.5Y114 D118Y114-F116 PolarHBondContact O-N 2.85Å; F116-D118 HydrophobicContact CE1-CB 4.35Å
117I41Very low46.4Very low95 Ų95111.8 Ų111.849%0.48764%0.643SS.*  trans-93.3123.7136.9-65-165.7000105.8Y114 M119Y114-I117 HydrophobicContact CD1-CD1 4.46Å; Y114-I117 HydrophobicContact CD1-CG1 4.34Å; Y114-I117 HydrophobicContact CE1-CD1 3.47Å; Y114-I117 VanDerWaalsContact CE1-CD1 3.47Å; Y114-I117 HydrophobicContact CE1-CG1 3.79Å; I117-M119 VanDerWaalsContact C-N 3.28Å; I117-M119 HydrophobicContact CG2-CB 4.31Å; I117-M119 HydrophobicContact CG2-CE 4.22Å; I117-M119 PolarHBondContact O-N 2.68Å
118D40.9Very low44.7Very low119 Ų119114.4 Ų114.464%0.63665%0.651SS**  trans-73.686.7171.2-171.5-0.5000109.3F116 G120F116-D118 HydrophobicContact CE1-CB 4.35Å; D118-G120 PolarHBondContact OD1-N 3.11Å
119M40.7Very low43.4Very low176 Ų176115.5 Ų115.587%0.86767%0.671SS**  trans-106.736.8174.4-159.9171.6-72.300110.1I117I117-M119 VanDerWaalsContact C-N 3.28Å; I117-M119 HydrophobicContact CG2-CB 4.31Å; I117-M119 HydrophobicContact CG2-CE 4.22Å; I117-M119 PolarHBondContact O-N 2.68Å
120G39.9Very low41.9Very low55 Ų55119.2 Ų119.257%0.56770%0.704SS**SBendtrans-138.382-173.400000113.4D118D118-G120 PolarHBondContact OD1-N 3.11Å
121S46.7Very low40.9Very low118 Ų118121.1 Ų121.183%0.82572%0.717SS**SBendtrans85.263.5170.4-166.50000118.2
122S35.3Very low40.4Very low122 Ų122122.1 Ų122.185%0.85373%0.73SS**  trans-15096.4145.6-85.80000111.2R124S122-R124 PolarHBondContact O-N 3.07Å
123G45Very low40.2Very low85 Ų85123.2 Ų123.288%0.87674%0.737SS**  trans-82.599-175.800000113.6
124R37.9Very low40.1Very low244 Ų244125.6 Ų125.692%0.92176%0.756SS**  trans-159.7133.6161.1-124.2177.9-175-82.9-2.1113.8S122S122-R124 PolarHBondContact O-N 3.07Å
125G34.6Very low40.2Very low71 Ų71126 Ų12673%0.73277%0.773SS**  trans72.187.3154.600000117.7
126V38.3Very low39.8Very low135 Ų135125.1 Ų125.182%0.81878%0.781SS**  trans-71.9124.9154.7179.90000108.3Q128V126-Q128 PolarHBondContact O-N 2.84Å
127P35.7Very low39.7Very low115 Ų115119.8 Ų119.875%0.74778%0.778SS**  trans-70.6116.8171.628.1-32.1000109.9S129P127-S129 PolarHBondContact O-N 3.43Å
128Q42.8Very low39.6Very low192 Ų192121.4 Ų121.490%0.89779%0.792SS**  trans-72.4104.7176.2-73.8-176.1-32.400111.1V126V126-Q128 PolarHBondContact O-N 2.84Å
129S41.2Very low39.4Very low124 Ų124123.9 Ų123.987%0.86780%0.799SS**  trans-149.257.8165.9-76.50000111.5P127P127-S129 PolarHBondContact O-N 3.43Å
130A35.7Very low39Very low90 Ų90125.1 Ų125.174%0.74480%0.8SS**SBendtrans-141.2138.2169.900000109.8
131P38.5Very low38.8Very low110 Ų110133.7 Ų133.771%0.71482%0.816SS**  trans-69151.6179.429.5-34.9000111.4V133P131-V133 PolarHBondContact O-N 3.1Å
132P41.8Very low38.2Very low130 Ų130137.3 Ų137.384%0.84482%0.817SS**  trans-71.3114.1-175.828.5-34.3000111.7
133V42.3Very low38.2Very low127 Ų127137 Ų13777%0.7781%0.812SS**PPolyproline II helixtrans-98.9125.5164.4-176.80000107.7P131 T135P131-V133 PolarHBondContact O-N 3.1Å; V133-T135 PolarHBondContact O-N 3.22Å
134P42.4Very low37.8Very low117 Ų117138.8 Ų138.876%0.7681%0.808SS**PPolyproline II helixtrans-70.4132.1-177.327.5-33.8000111.7G136P134-G136 PolarHBondContact O-N 3.08Å
135T41Very low37.6Very low142 Ų142132.3 Ų132.387%0.87180%0.8SS**PPolyproline II helixtrans-58.6129.8171.1-580000110.3V133 G137V133-T135 PolarHBondContact O-N 3.22Å; T135-G137 PolarHBondContact O-N 2.87Å; T135-G137 VanDerWaalsContact O-N 3.1Å
136G35.6Very low37.9Very low78 Ų78135.5 Ų135.580%0.80481%0.806SS**  trans-65.8107.9-177.200000113.4P134P134-G136 PolarHBondContact O-N 3.08Å
137G36.7Very low38Very low71 Ų71135 Ų13573%0.73281%0.805SS**  trans-76.6142.8148.900000109.5T135 H139T135-G137 PolarHBondContact O-N 2.87Å; T135-G137 VanDerWaalsContact O-N 3.1Å; G137-H139 PolarHBondContact O-N 2.96Å
138T39.2Very low37.8Very low128 Ų128134.4 Ų134.479%0.78580%0.804SS**  trans-59.6131-179.649.30000112.5
139H36.7Very low37.2Very low171 Ų171133.4 Ų133.479%0.79280%0.799SS**  trans178168.1133.4-94.7-62.4000112.7G137G137-H139 PolarHBondContact O-N 2.96Å
140F32.4Very low36.8Very low203 Ų203133.1 Ų133.189%0.8979%0.792SS**  trans83129.1170.2-71-77.1000121
141R34.1Very low36.5Very low235 Ų235136.2 Ų136.289%0.88780%0.795SS**PPolyproline II helixtrans-77.5163.5-171.3-66.8173.7162.5174.7-6.8113.7
142F35.5Very low36.2Very low193 Ų193136.5 Ų136.585%0.84680%0.799SS**PPolyproline II helixtrans-61.7146.4149.7-77.3-98.5000112.2
143P35.2Very low35.5Very low116 Ų116135.8 Ų135.875%0.75380%0.798SS**PPolyproline II helixtrans-85.4124.9166.632.8-30.2000111.3
144P36.7Very low34.9Very low123 Ų123134.5 Ų134.580%0.79979%0.794SS**PPolyproline II helixtrans-82.1145.6161.333.6-31.6000110.4
145S34.3Very low34.4Very low107 Ų107137.2 Ų137.275%0.74880%0.797SS**PPolyproline II helixtrans-86.6162.8168.4-55.20000111.3
146T39.1Very low33.8Very low138 Ų138137.1 Ų137.185%0.84779%0.786SS**  trans75.5133.8178.973.40000116.6
147P41.1Very low33.7Very low124 Ų124140 Ų14081%0.80578%0.783SS**  trans-108.3145.5171.537.7-29.4000113
148S32.2Very low33.5Very low103 Ų103146.6 Ų146.672%0.7279%0.786SS**  trans-159.6152.6136.4-131.90000111.6
149E30Very low33.3Very low172 Ų172145.9 Ų145.980%0.80479%0.786SS**  trans4.3156.2147.7-67.8169.7118.500121.9
150V31.7Very low34.1Very low118 Ų118143.9 Ų143.972%0.71579%0.788SS**  cis-172.9138.8-28.4102.60000108.1
151L31Very low34.1Very low155 Ų155137.5 Ų137.581%0.81278%0.779SS**  trans64.9146.2165.5-63.7169.5000122.2
152S30.5Very low34.3Very low115 Ų115132.8 Ų132.880%0.80478%0.776SS**  trans67.1148.9154.9-730000120.1
153S27.1Very low34.2Very low116 Ų116132.9 Ų132.981%0.81178%0.777SS**  cis-146.6179-8.4-1560000112.7
154S30.9Very low34Very low99 Ų99132.4 Ų132.469%0.69278%0.776SS**  trans-86.7-175.9-170.9-170.70000115.3
155E31Very low33.9Very low174 Ų174132.1 Ų132.181%0.81377%0.772SS**  trans77.5154.3165.1-56.3173.5117.800115.6
156E29.4Very low33.9Very low140 Ų140133.7 Ų133.765%0.65478%0.777SS**  cis-142.4160.87.5171.355.3161.400111.6R158E156-R158 IonicContact OE1-NH1 2.63Å; E156-R158 PolarHBondContact OE1-NH1 3.26Å; E156-R158 VanDerWaalsContact OE1-NH1 3.11Å
157L33.8Very low33.7Very low139 Ų139131.1 Ų131.173%0.72877%0.77SS**  trans-86.1140179.1-63.2160.9000114
158R30.8Very low33.4Very low210 Ų210137.4 Ų137.479%0.79278%0.777SS**  -177.3154128.8-102.7160.3-165.886.5-6.5118.5E156E156-R158 IonicContact OE1-NH1 2.63Å; E156-R158 PolarHBondContact OE1-NH1 3.26Å; E156-R158 VanDerWaalsContact OE1-NH1 3.11Å
159S35.5Very low33.7Very low112 Ų112143.3 Ų143.378%0.78378%0.784SS**  trans-151.3-174.6160.3-70.80000105.3
160P54.3Low33.8Very low130 Ų130144.3 Ų144.384%0.84479%0.791SS**  cis-139.2-168.42.344.3-25.8000115.4
161G32.7Very low34Very low68 Ų68143.3 Ų143.370%0.70180%0.795SS**  trans116.5153.4158.500000116
162V38.2Very low34Very low136 Ų136147.9 Ų147.982%0.82480%0.801SS**  cis-153165.1-5-79.40000111.8
163F33.8Very low34Very low196 Ų196146 Ų14686%0.8680%0.8SS**  trans-22.7147.9171.9-60.3-97000120.6
164S31Very low34.5Very low105 Ų105145.5 Ų145.573%0.73480%0.797SS**  165.8125.593.3-158.80000117.5
165T33.8Very low34.6Very low118 Ų118147.6 Ų147.672%0.72481%0.805SS**  50.9108.7129.4-40.90000125
166V33.4Very low35Very low140 Ų140144.9 Ų144.985%0.84881%0.805SS**  trans61.2144.3133.6107.90000124.6
167A35.4Very low35.3Very low84 Ų84145.1 Ų145.169%0.69481%0.811SS**  trans-54.5155.8-171.900000121.2
168R35.8Very low35.2Very low255 Ų255144.7 Ų144.796%0.96282%0.818SS**  -150.5166.1123.4-125177.7-67.5-173.92.1113
169R38.5Very low35.6Very low227 Ų227139.1 Ų139.186%0.85781%0.811SS**  trans-117.7126.4-170.6176.8-156.2-64.1164-2.5110.5
170M32.1Very low35.5Very low193 Ų193141.5 Ų141.595%0.95182%0.815SS**  trans-150.1167.1158.4-76.8-53.9170.500109.3
171A34.3Very low34.5Very low97 Ų97138.6 Ų138.680%0.80281%0.809SS**  trans-134.3146.2-16700000114.1
172R31.8Very low34.5Very low252 Ų252141.7 Ų141.795%0.95182%0.815SS**  trans-178.6148139.7-111.8-179.1166.4-128.5-5113.2
173G31.1Very low34.2Very low76 Ų76139.4 Ų139.478%0.78481%0.805SS**  trans82.9153.9163.500000116.1
174S36.1Very low34.1Very low105 Ų105136 Ų13673%0.73480%0.8SS**  cis-165.1144-15.6-149.10000111.2
175V34.8Very low34.1Very low143 Ų143137.5 Ų137.587%0.86780%0.8SS**  trans55.6159.4167.6-58.90000117.1
176S38.3Very low34.2Very low117 Ų117135.7 Ų135.782%0.81879%0.792SS**  cis-132.51658.253.30000112.6
177D35.1Very low34.3Very low145 Ų145136.5 Ų136.578%0.77579%0.786SS**  trans-117.3140.8-174.9-166.9-44.9000109.4
178C32.8Very low34.5Very low130 Ų130139.1 Ų139.188%0.87879%0.788SS**  trans-160.4120.2155.749.70000110.3
179S39.2Very low34.4Very low92 Ų92134.6 Ų134.664%0.64378%0.778SS**  trans-132.5146179.7-154.60000111.6
180D34.1Very low34.1Very low162 Ų162132.5 Ų132.587%0.86678%0.778SS**  trans61.6140.9161-60.5-68.4000121.1
181G32.7Very low34Very low70 Ų70127.6 Ų127.672%0.72277%0.768SS**  trans162.594.1167.700000117.7
182T31.6Very low33.8Very low133 Ų133127.4 Ų127.482%0.81677%0.767SS**  trans10.7108.9131.9-58.10000116.4
183S33.5Very low33.6Very low87 Ų87120.6 Ų120.661%0.60876%0.764SS**  85.5147.657.180.80000116.2
184T31.1Very low33.8Very low124 Ų124121.9 Ų121.976%0.76177%0.767SS**  trans67.1153.7169.259.90000117.8
185N30Very low33.5Very low138 Ų138124.4 Ų124.474%0.73877%0.772SS**  cis-174.7-174.2-26.6-17238.1000108
186S37Very low33.4Very low79 Ų79123.9 Ų123.955%0.55276%0.761SS**  trans91.6148.9142.1-63.20000119
187E34.8Very low32.9Very low157 Ų157129.6 Ų129.673%0.73476%0.764SS**  cis-171.7-158.3-13.1-116.416988.600111.5
188L40.1Very low32.7Very low139 Ų139126.6 Ų126.673%0.72876%0.759SS**  trans88.1145.2163.1-54.3167.8000114.3
189E33.5Very low32.7Very low160 Ų160128.8 Ų128.875%0.74876%0.761SS**  cis-160.4172.4-0.1-114.8156.267.900106.8
190E32.2Very low32.2Very low183 Ų183127.5 Ų127.586%0.85576%0.761SS**  cis-160.9-162.4-42.9-179146.7120.200107.8
191A29.8Very low33.2Very low90 Ų90125.7 Ų125.774%0.74476%0.759SS**  trans-72.2-177.3-168.300000115.1
192A29.5Very low33Very low94 Ų94129.1 Ų129.178%0.77776%0.761SS**  cis-172.7-171.837.100000115.6
193A28Very low33Very low109 Ų109134.5 Ų134.590%0.90177%0.766SS**  trans82.9153.7158.700000120.1
194A35.1Very low32.9Very low102 Ų102134 Ų13484%0.84377%0.767SS**  trans-162.2154.2179.700000109.7
195D31.3Very low33Very low158 Ų158136.7 Ų136.785%0.84577%0.769SS**  trans-158.2163.5158.3-159.6-151.1000114.5
196E31.5Very low33Very low133 Ų133139.6 Ų139.662%0.62177%0.769SS**  trans-21136.7172.7-92-81.383.900122.2
197R28.5Very low32.6Very low237 Ų237138.8 Ų138.889%0.89477%0.773SS**  -166.6143.4102.2-113.5-176.2178.184.6-1.1114.1
198A30Very low32.6Very low81 Ų81138.2 Ų138.267%0.66977%0.774SS**  trans-119.6143.9176.200000114.1
199I33.9Very low32.1Very low177 Ų177139.5 Ų139.591%0.90878%0.781SS**  trans-142.1140162.1-60.7-177.4000108.2
200G28.3Very low32.3Very low64 Ų64136.1 Ų136.166%0.6678%0.781SS**  trans-136.8-153.1168.800000110.2
201P54.1Low32.7Very low124 Ų124133.9 Ų133.981%0.80578%0.782SS**  cis-140-160-1.540-18.8000114.1
202D29.9Very low32.6Very low143 Ų143141 Ų14177%0.76579%0.79SS**  trans77.8107.2151.3-135.2-78.6000121.4
203R31Very low33Very low246 Ų246143.8 Ų143.893%0.92879%0.791SS**  -157.7137.4105.7-146.1167.7-173.7157.72.7112.7
204A32Very low33.8Very low77 Ų77144.7 Ų144.764%0.63679%0.787SS**  trans-122.4-171.7-179.600000113
205F31.7Very low33.5Very low180 Ų180147.7 Ų147.779%0.78978%0.783SS**  trans74.6142.8-176.4-84.6-129.5000115.4
206R31.4Very low33.3Very low198 Ų198147.1 Ų147.175%0.74778%0.776SS**  cis-157151.1-11.9-143.3-173.9-160.2-131.26.9108.4
207G29Very low33.3Very low62 Ų62144.7 Ų144.764%0.63977%0.774SS**  trans-100.6164.1168.700000112.9
208L33.1Very low33.8Very low145 Ų145139.9 Ų139.976%0.75977%0.765SS**  trans178139.1137.7-97.9167.8000113.3
209L31.2Very low33.7Very low166 Ų166143.4 Ų143.487%0.86977%0.765SS**  trans69.1154.1154.5-60.2170000121
210A35.8Very low33.9Very low90 Ų90144.4 Ų144.474%0.74476%0.758SS**  trans-139.3161.8172.700000109.3
211P41Very low33.9Very low135 Ų135149.4 Ų149.488%0.87776%0.762SS**  trans-135169.9148.437-23.5000115.9
212R29Very low32.8Very low241 Ų241154.5 Ų154.591%0.90977%0.766SS**  trans-70.5166.6-163.9-70.8-85.5160.384-6.7117.3
213L36.8Very low32.9Very low151 Ų151150.5 Ų150.579%0.79176%0.759SS**  trans-56.6163.5166.5-59.4164.7000113.6
214P45.1Very low32.7Very low128 Ų128142.3 Ų142.383%0.83175%0.751SS**  -131.5-152.710339.7-30.9000114.5
215H29.7Very low32.8Very low165 Ų165146.6 Ų146.676%0.76476%0.758SS**  trans-129154.8-143.6-139.2-133.5000114.1
216E25.6Very low33.8Very low146 Ų146143.5 Ų143.568%0.68276%0.756SS**  trans72.8120.3146-76-76.9118.900124.5
217S33Very low34.1Very low83 Ų83139.2 Ų139.258%0.5875%0.751SS**  92.8123.4121.7-87.80000126.1
218L37.4Very low34.9Very low135 Ų135142.6 Ų142.671%0.70776%0.762SS**  trans80.3115141.1-88.683.1000124.6
219F29.2Very low35.1Very low156 Ų156140.9 Ų140.968%0.68477%0.769SS**  91.9122.1124.5-92.7-139.1000124.6
220R36.9Very low35.1Very low197 Ų197136.7 Ų136.774%0.74377%0.766SS**  trans46.7132.8135.7-61.7-173.1-173.6-168.12.4122.2
221F29.8Very low34.9Very low170 Ų170140.7 Ų140.775%0.74677%0.774SS**  -155.1166.996.8-122.5-118.9000109.3
222Y31Very low35.1Very low230 Ų230140 Ų14090%0.90277%0.769SS**  -138.616655.2-85.7-95.6000115.5
223G30.4Very low35.3Very low60 Ų60139.3 Ų139.362%0.61977%0.767SS**  trans-128.6-167.2157.400000109.4
224G28.4Very low35.3Very low73 Ų73137.9 Ų137.975%0.75377%0.767SS**  cis160.6173-1.100000111.8
225H34Very low34.7Very low167 Ų167135.3 Ų135.377%0.77376%0.756SS**  trans72.7166.2174.8-120.1-128.7000116.6
226P52.3Low35.5Very low115 Ų115132.2 Ų132.275%0.74775%0.751SS**  cis-131.4-173.912.843.7-26000118.8
227T36.7Very low35.9Very low108 Ų108135.9 Ų135.966%0.66376%0.758SS**  trans-132.4161.4-177.352.20000112.8
228P46.9Very low35.9Very low134 Ų134137.4 Ų137.487%0.8776%0.764SS**  trans-139.9-170.2134.436.6-21.1000113.4
229A37.9Very low35.5Very low109 Ų109139.5 Ų139.590%0.90177%0.77SS**  trans-131.3162.2-164.800000116
230G29.6Very low35.5Very low77 Ų77136.3 Ų136.379%0.79477%0.772SS**  trans-176.8159.1174.200000114.9
231L33.2Very low35Very low174 Ų174133.8 Ų133.891%0.91177%0.773SS**  trans-121.7176.3178.2-68.3167.7000109.4
232P44.8Very low36.2Very low121 Ų121130.5 Ų130.579%0.78677%0.769SS**  cis-128.8-163.9-9.135.4-14.1000113.9
233R33Very low36.4Very low226 Ų226127.3 Ų127.385%0.85377%0.767SS**  trans-74.8149.7177.8-164.6-170.8177.5-170.71.1113.1
234P36.7Very low36.7Very low122 Ų122128.5 Ų128.579%0.79277%0.766SS**  -142.7177.7110.839.8-27.1000115
235A32.4Very low37.5Very low74 Ų74131.1 Ų131.161%0.61277%0.77SS**  trans-136.2171.9165.500000106.4
236P46.7Very low37.6Very low100 Ų100131.9 Ų131.965%0.64977%0.771SS**  cis-158.5-165.544.245.4-22.9000117.8
237R33.8Very low37.5Very low222 Ų222132.1 Ų132.184%0.83877%0.772SS**  trans71.4154.3153.5-75.1-174.9172.2113.30.2118
238V33.6Very low37.5Very low115 Ų115133.1 Ų133.170%0.69778%0.778SS**  cis-152.2145.9-2.9-115.20000111.9
239H28.2Very low37.2Very low179 Ų179132.3 Ų132.383%0.82978%0.775SS**  trans53.4156.6146.2-92.3-109.4000121.8
240A29.9Very low37.6Very low89 Ų89132.9 Ų132.974%0.73677%0.77SS**  cis-138.7158.21000000115.2
241D26.4Very low38Very low145 Ų145137.3 Ų137.378%0.77578%0.775SS**  trans-79-169.8169.1-126.7-5.6000111.1
242P54.5Low38.9Very low101 Ų101134.4 Ų134.466%0.65677%0.766SS**  cis-127.4-174.1-0.228.3-2000112.7
243L34.3Very low38.4Very low162 Ų162132.4 Ų132.485%0.84877%0.767SS**  cis-150.5147.236-75.3158000113.8
244S38.1Very low39.1Very low86 Ų86128 Ų12860%0.60177%0.769SS**  trans-142.1164.2154.568.30000109.5
245P45.2Very low39.2Very low128 Ų128126.2 Ų126.283%0.83177%0.772SS**  trans-136.9128.2139.832.4-18.2000113.4
246F36.4Very low39.4Very low183 Ų183126.4 Ų126.480%0.80378%0.781SS**  trans-83.3161.5166.6-64.8-93.5000111
247P49.8Very low39.5Very low119 Ų119129.4 Ų129.477%0.77379%0.791SS**  -145.2166.499.237.4-22.3000113.5
248V35.2Very low39.8Very low129 Ų129126 Ų12678%0.78279%0.789SS**  cis-161.4171.6-16129.90000106.8
249S41.1Very low40.2Very low117 Ų117125.6 Ų125.682%0.81879%0.791SS**  trans-135.4141.7168.2-56.20000113
250P47Very low40.9Very low122 Ų122123 Ų12379%0.79279%0.79SS**  trans-122.6160.4164.838.2-27000114.8
251L37.6Very low41.3Very low170 Ų170123.6 Ų123.689%0.8979%0.794SS**  trans-148162175.6-142.779.4000106.1
252P52.7Low42.1Very low112 Ų112124.8 Ų124.873%0.72780%0.8SS**  cis-135.2140.4-0.937.6-18.4000117.6
253G33.9Very low41.4Very low79 Ų79125.2 Ų125.281%0.81481%0.806SS**  trans63.3-177.2151.700000119.8
254P47.5Very low41.5Very low135 Ų135126.2 Ų126.288%0.87781%0.808SS**  cis-123.3145.7-19.337.9-23.9000114.1
255G39.9Very low41.5Very low83 Ų83131.3 Ų131.386%0.85682%0.824SS**  trans99.3158.2169.200000115.6
256G36.3Very low41.3Very low79 Ų79129 Ų12981%0.81482%0.824SS**  trans106.9142.2-170.500000112.3
257L47.2Very low41.2Very low162 Ų162125.6 Ų125.685%0.84882%0.823SS**  trans-124.5165-174.4-70.3171.7000111.5
258L40.4Very low40.9Very low152 Ų152128.2 Ų128.280%0.79682%0.824SS**  trans97.3116.6157.7-49.8-176.9000119.1
259S42.9Very low41.4Very low106 Ų106130.7 Ų130.774%0.74183%0.825SS**  trans69118.9136.2-56.40000121.1
260P42.3Very low41.7Very low125 Ų125129.8 Ų129.881%0.81282%0.819SS**  trans-78.1137162.533.1-32000111.1
261A37.8Very low42.2Very low100 Ų100129.3 Ų129.383%0.82680%0.804SS**  trans-84.7126.217100000110.9
262L43.5Very low44Very low170 Ų170124.7 Ų124.789%0.8978%0.781SS**  trans-108.897.6165.5-72.8178.2000109.1
263S39.3Very low45.1Very low111 Ų111123.1 Ų123.178%0.77677%0.77SS**  trans-151.296.1170.3-83.60000111.3
264M37.7Very low47.4Very low183 Ų183123.2 Ų123.290%0.90175%0.749SS**SBendtrans-142.1126151.2-87.6-59.9163.600109.1
265M38.6Very low48.6Very low192 Ų192120.8 Ų120.895%0.94673%0.729SS**SBendtrans64.4132.3176.9-134.978.279.300117.1
266G39.4Very low50.5Low79 Ų79121.6 Ų121.681%0.81471%0.712SS**SBendtrans157.1-70.5153.300000118.5
267S35.4Very low52.3Low112 Ų112123.7 Ų123.778%0.78370%0.699SS**  trans-154.6139.8-169-171.30000113.1F269S267-F269 PolarHBondContact O-N 3.23Å
268H43.9Very low53.6Low174 Ų174121.6 Ų121.681%0.80668%0.684SS**  trans-89.887.7-177.3-122.5-81.2000111.1S270H268-S270 PolarHBondContact ND1-OG 3.3Å
269F44.5Very low55.3Low181 Ų181121.1 Ų121.179%0.79467%0.673SS**  trans-108.973.8166.7-116.5-83.7000110.1S267 F271S267-F269 PolarHBondContact O-N 3.23Å; F269-F271 HydrophobicContact CD1-CD2 4.43Å; F269-F271 PolarHBondContact O-N 3.04Å; F269-F271 VanDerWaalsContact O-N 3.08Å
270S48.7Very low57.2Low98 Ų98120.6 Ų120.669%0.68566%0.661SS**  trans-74.492.9173.1-61.60000109.6H268 N272H268-S270 PolarHBondContact ND1-OG 3.3Å; S270-N272 PolarHBondContact O-N 3.5Å
271F57.1Low58.9Low113 Ų113119.7 Ų119.750%0.49665%0.646SS.*  trans-71.8117.6175.2-130.1-80.6000110.1F269 D275 M276F269-F271 HydrophobicContact CD1-CD2 4.43Å; F269-F271 PolarHBondContact O-N 3.04Å; F269-F271 VanDerWaalsContact O-N 3.08Å; F271-D275 HydrophobicContact CD1-CB 4.3Å; F271-D275 HydrophobicContact CE1-CB 4.05Å; F271-M276 HydrophobicContact CD1-CB 3.95Å; F271-M276 HydrophobicContact CD1-SD 4.1Å; F271-M276 HydrophobicContact CE1-CB 4.19Å; F271-M276 HydrophobicContact CE1-SD 4.07Å
272N74Confident60.8Low73 Ų73117.5 Ų117.539%0.3963%0.628SS.*  trans-66.7131173.3-175.533.8000109.2S270 E274 D275 M276S270-N272 PolarHBondContact O-N 3.5Å; N272-E274 PolarHBondContact O-N 3.31Å; N272-E274 VanDerWaalsContact O-N 3.17Å; N272-D275 HydrophobicContact CB-CB 4.1Å; N272-D275 WeakPolarHBondContact CB-OD2 3.19Å; N272-D275 PolarHBondContact ND2-OD1 2.81Å; N272-D275 PolarHBondContact O-N 3.25Å; N272-M276 PolarHBondContact O-N 3.31Å; N272-M276 VanDerWaalsContact O-N 3.09Å
273P77.4Confident62.3Low79 Ų79113.6 Ų113.651%0.51361%0.605SS.*Hα-helixtrans-60.1-27.4-178.116.4-27000113.5K277P273-K277 WeakPolarHBondContact O-CD 3.27Å; P273-K277 VanDerWaalsContact O-CG 3.3Å; P273-K277 WeakPolarHBondContact O-CG 3.44Å; P273-K277 PolarHBondContact O-N 2.78Å
274E81Confident63.7Low80 Ų80110.6 Ų110.637%0.37458%0.582SS.*Hα-helixtrans-69-41.5172.2-79.648.7-11400112N272 M276 K277 H278N272-E274 PolarHBondContact O-N 3.31Å; N272-E274 VanDerWaalsContact O-N 3.17Å; E274-M276 VanDerWaalsContact C-N 3.28Å; E274-M276 PolarHBondContact O-N 3.33Å; E274-K277 WeakPolarHBondContact O-CB 3.34Å; E274-K277 PolarHBondContact O-N 3.44Å; E274-K277 VanDerWaalsContact O-N 3.12Å; E274-K277 IonicContact OE1-NZ 3.44Å; E274-K277 PolarHBondContact OE1-NZ 3.3Å; E274-H278 PolarHBondContact O-N 3.15Å; E274-H278 PolarHBondContact O-ND1 3.06Å
275D72.8Confident65.3Low85 Ų85106.9 Ų106.946%0.45556%0.562SS.*Hα-helixtrans-67.7-33.8179.3-58.1-2.1000110.7F271 N272 K277 H278 Y279F271-D275 HydrophobicContact CD1-CB 4.3Å; F271-D275 HydrophobicContact CE1-CB 4.05Å; N272-D275 HydrophobicContact CB-CB 4.1Å; N272-D275 WeakPolarHBondContact CB-OD2 3.19Å; N272-D275 PolarHBondContact ND2-OD1 2.81Å; N272-D275 PolarHBondContact O-N 3.25Å; D275-K277 VanDerWaalsContact C-N 3.34Å; D275-H278 PolarHBondContact O-N 3.48Å; D275-Y279 VanDerWaalsContact O-CB 3.3Å; D275-Y279 WeakPolarHBondContact O-CB 3.32Å; D275-Y279 PolarHBondContact O-N 2.9Å
276M79.4Confident66.9Low100 Ų100100.2 Ų100.249%0.49354%0.535SS..Hα-helixtrans-62.4-40.4171.9-166.368.618000111.6F271 N272 E274 L280F271-M276 HydrophobicContact CD1-CB 3.95Å; F271-M276 HydrophobicContact CD1-SD 4.1Å; F271-M276 HydrophobicContact CE1-CB 4.19Å; F271-M276 HydrophobicContact CE1-SD 4.07Å; N272-M276 PolarHBondContact O-N 3.31Å; N272-M276 VanDerWaalsContact O-N 3.09Å; E274-M276 VanDerWaalsContact C-N 3.28Å; E274-M276 PolarHBondContact O-N 3.33Å; M276-L280 WeakPolarHBondContact O-CB 3.34Å; M276-L280 PolarHBondContact O-N 3.37Å
277K74.8Confident68.2Low123 Ų12396.9 Ų96.954%0.53550%0.499SS..Hα-helixtrans-65.7-47.9175.1-66.2161.8-164.4171.20111P273 E274 D275 Y279 L280 Q281P273-K277 WeakPolarHBondContact O-CD 3.27Å; P273-K277 VanDerWaalsContact O-CG 3.3Å; P273-K277 WeakPolarHBondContact O-CG 3.44Å; P273-K277 PolarHBondContact O-N 2.78Å; E274-K277 WeakPolarHBondContact O-CB 3.34Å; E274-K277 PolarHBondContact O-N 3.44Å; E274-K277 VanDerWaalsContact O-N 3.12Å; E274-K277 IonicContact OE1-NZ 3.44Å; E274-K277 PolarHBondContact OE1-NZ 3.3Å; D275-K277 VanDerWaalsContact C-N 3.34Å; K277-Y279 PolarHBondContact O-N 3.26Å; K277-L280 PolarHBondContact O-N 3.24Å; K277-Q281 VanDerWaalsContact O-CB 3.25Å; K277-Q281 WeakPolarHBondContact O-CB 3.26Å; K277-Q281 PolarHBondContact O-N 3.38Å
278H74.4Confident69.7Low118 Ų11898.3 Ų98.355%0.54649%0.488SS..Hα-helixtrans-61.5-42.3177.7-68.2112.4000112.3E274 D275 Q281 A282E274-H278 PolarHBondContact O-N 3.15Å; E274-H278 PolarHBondContact O-ND1 3.06Å; D275-H278 PolarHBondContact O-N 3.48Å; H278-Q281 PolarHBondContact O-N 3.47Å; H278-A282 VanDerWaalsContact O-CB 3.28Å; H278-A282 WeakPolarHBondContact O-CB 3.23Å; H278-A282 PolarHBondContact O-N 3.4Å
279Y77.1Confident71Confident142 Ų14296 Ų9656%0.55748%0.481SS*.Hα-helixtrans-61.3-47.7175.3179.2-97.5000111.9D275 K277 Q281 A282 H283D275-Y279 VanDerWaalsContact O-CB 3.3Å; D275-Y279 WeakPolarHBondContact O-CB 3.32Å; D275-Y279 PolarHBondContact O-N 2.9Å; K277-Y279 PolarHBondContact O-N 3.26Å; Y279-Q281 VanDerWaalsContact C-N 3.34Å; Y279-Q281 PolarHBondContact O-N 3.44Å; Y279-A282 PolarHBondContact O-N 2.78Å; Y279-H283 WeakPolarHBondContact O-CB 3.41Å; Y279-H283 PolarHBondContact O-N 3.17Å
280L83Confident72.1Confident94 Ų9495.7 Ų95.749%0.49248%0.476SS..Hα-helixtrans-67.7-35.1-179.8-155.871.7000112.2M276 K277 T284M276-L280 WeakPolarHBondContact O-CB 3.34Å; M276-L280 PolarHBondContact O-N 3.37Å; K277-L280 PolarHBondContact O-N 3.24Å; L280-T284 WeakPolarHBondContact O-CB 3.48Å; L280-T284 PolarHBondContact O-N 3.36Å; L280-T284 PolarHBondContact O-OG1 2.79Å
281Q77.6Confident72.8Confident106 Ų10699.3 Ų99.350%0.49548%0.482SS..Hα-helixtrans-67-46.7173.4-178.3175.3-6.200111.8K277 H278 Y279 T284 Q285K277-Q281 VanDerWaalsContact O-CB 3.25Å; K277-Q281 WeakPolarHBondContact O-CB 3.26Å; K277-Q281 PolarHBondContact O-N 3.38Å; H278-Q281 PolarHBondContact O-N 3.47Å; Y279-Q281 VanDerWaalsContact C-N 3.34Å; Y279-Q281 PolarHBondContact O-N 3.44Å; Q281-T284 WeakPolarHBondContact O-CB 3.49Å; Q281-T284 PolarHBondContact O-N 3.22Å; Q281-Q285 WeakPolarHBondContact O-CG 3.19Å; Q281-Q285 PolarHBondContact O-N 3.12Å
282A77.3Confident73.4Confident54 Ų5498.3 Ų98.345%0.44648%0.481SS..Hα-helixtrans-63.5-40.4176.500000111.8H278 Y279 T284 Q285 S286H278-A282 VanDerWaalsContact O-CB 3.28Å; H278-A282 WeakPolarHBondContact O-CB 3.23Å; H278-A282 PolarHBondContact O-N 3.4Å; Y279-A282 PolarHBondContact O-N 2.78Å; A282-T284 VanDerWaalsContact C-N 3.35Å; A282-T284 PolarHBondContact O-N 2.72Å; A282-Q285 PolarHBondContact O-N 2.82Å; A282-S286 WeakPolarHBondContact O-CB 3.28Å; A282-S286 PolarHBondContact O-N 2.66Å
283H75.8Confident72.4Confident89 Ų8999.1 Ų99.141%0.41249%0.492SS..Hα-helixtrans-61.2-43.8173.4-166.698.7000111.5Y279 S286 V287Y279-H283 WeakPolarHBondContact O-CB 3.41Å; Y279-H283 PolarHBondContact O-N 3.17Å; H283-S286 WeakPolarHBondContact O-CB 3.2Å; H283-S286 PolarHBondContact O-N 3.12Å; H283-V287 WeakPolarHBondContact O-CG2 3.36Å; H283-V287 PolarHBondContact O-N 2.92Å; H283-V287 VanDerWaalsContact O-N 3.07Å
284T68.4Low71.5Confident48 Ų4899.2 Ų99.229%0.29449%0.493SS..Hα-helixtrans-63.5-46.4176.4-58.60000111.6L280 Q281 A282 S286 V287 Y288 F297L280-T284 WeakPolarHBondContact O-CB 3.48Å; L280-T284 PolarHBondContact O-N 3.36Å; L280-T284 PolarHBondContact O-OG1 2.79Å; Q281-T284 WeakPolarHBondContact O-CB 3.49Å; Q281-T284 PolarHBondContact O-N 3.22Å; A282-T284 VanDerWaalsContact C-N 3.35Å; A282-T284 PolarHBondContact O-N 2.72Å; T284-S286 VanDerWaalsContact C-N 3.33Å; T284-S286 PolarHBondContact O-N 3.28Å; T284-V287 PolarHBondContact O-N 3.48Å; T284-Y288 HydrophobicContact CG2-CD2 4.02Å; T284-Y288 HydrophobicContact CG2-CE2 3.83Å; T284-Y288 VanDerWaalsContact O-CD2 3.27Å; T284-Y288 WeakPolarHBondContact O-CD2 3.41Å; T284-Y288 PolarHBondContact O-N 3.06Å; T284-F297 HydrophobicContact CG2-CZ 4.34Å
285Q70.4Confident70.2Confident104 Ų104106.8 Ų106.849%0.48652%0.518SS..Hα-helixtrans-62.4-38.4176.3-73.5179.9-4.600112.1Q281 A282 Y288 N289Q281-Q285 WeakPolarHBondContact O-CG 3.19Å; Q281-Q285 PolarHBondContact O-N 3.12Å; A282-Q285 PolarHBondContact O-N 2.82Å; Q285-Y288 PolarHBondContact O-N 2.95Å; Q285-N289 VanDerWaalsContact O-CB 3.31Å; Q285-N289 WeakPolarHBondContact O-CB 3.37Å; Q285-N289 PolarHBondContact O-N 3.33Å
286S72.1Confident69.3Low52 Ų52105.5 Ų105.536%0.36452%0.519SS..Hα-helixtrans-60-48.5174.4-173.60000111.8A282 H283 T284 Y288 N289 Y290A282-S286 WeakPolarHBondContact O-CB 3.28Å; A282-S286 PolarHBondContact O-N 2.66Å; H283-S286 WeakPolarHBondContact O-CB 3.2Å; H283-S286 PolarHBondContact O-N 3.12Å; T284-S286 VanDerWaalsContact C-N 3.33Å; T284-S286 PolarHBondContact O-N 3.28Å; S286-Y288 VanDerWaalsContact C-N 3.3Å; S286-Y288 PolarHBondContact O-N 3.48Å; S286-N289 PolarHBondContact O-N 3.26Å; S286-Y290 VanDerWaalsContact O-CD2 3.24Å; S286-Y290 WeakPolarHBondContact O-CD2 3.45Å; S286-Y290 PolarHBondContact O-N 3.29Å; S286-Y290 WeakPolarHBondContact OG-CD2 3.41Å
287V66.3Low68.3Low9 Ų9104.8 Ų104.86%0.05551%0.513CS..Hα-helixtrans-56.6-42.4176.7168.40000111.9H283 T284 H291 L292 F297H283-V287 WeakPolarHBondContact O-CG2 3.36Å; H283-V287 PolarHBondContact O-N 2.92Å; H283-V287 VanDerWaalsContact O-N 3.07Å; T284-V287 PolarHBondContact O-N 3.48Å; V287-H291 PolarHBondContact O-N 3.37Å; V287-L292 HydrophobicContact CG1-CB 4.07Å; V287-L292 PolarHBondContact O-N 3.29Å; V287-F297 HydrophobicContact CG1-CZ 4.39Å
288Y67.7Low67Low143 Ų143105.2 Ų105.256%0.56152%0.521SS*.Hα-helixtrans-71.2-46.2176.4-78.2-69000113.3T284 Q285 S286 Y290 H291T284-Y288 HydrophobicContact CG2-CD2 4.02Å; T284-Y288 HydrophobicContact CG2-CE2 3.83Å; T284-Y288 VanDerWaalsContact O-CD2 3.27Å; T284-Y288 WeakPolarHBondContact O-CD2 3.41Å; T284-Y288 PolarHBondContact O-N 3.06Å; Q285-Y288 PolarHBondContact O-N 2.95Å; S286-Y288 VanDerWaalsContact C-N 3.3Å; S286-Y288 PolarHBondContact O-N 3.48Å; Y288-Y290 VanDerWaalsContact C-N 3.31Å; Y288-Y290 PolarHBondContact O-N 3.11Å; Y288-H291 PolarHBondContact O-N 3.4Å
289N70.3Confident65.5Low124 Ų124108.2 Ų108.266%0.66354%0.535SS*.Hα-helixtrans-64.6-32.8-177.5-74.2-10.1000113.1Q285 S286Q285-N289 VanDerWaalsContact O-CB 3.31Å; Q285-N289 WeakPolarHBondContact O-CB 3.37Å; Q285-N289 PolarHBondContact O-N 3.33Å; S286-N289 PolarHBondContact O-N 3.26Å
290Y69.1Low63.9Low175 Ų175108.8 Ų108.869%0.68654%0.537SS*.THydrogen-bonded Turntrans-93.18.5175.2-64.3-64.4000113.4S286 Y288 L292S286-Y290 VanDerWaalsContact O-CD2 3.24Å; S286-Y290 WeakPolarHBondContact O-CD2 3.45Å; S286-Y290 PolarHBondContact O-N 3.29Å; S286-Y290 WeakPolarHBondContact OG-CD2 3.41Å; Y288-Y290 VanDerWaalsContact C-N 3.31Å; Y288-Y290 PolarHBondContact O-N 3.11Å; Y290-L292 VanDerWaalsContact CB-CD1 3.46Å; Y290-L292 PolarHBondContact O-N 3.04Å
291H62.1Low62.3Low174 Ų174109 Ų10981%0.80655%0.545SS*.THydrogen-bonded Turntrans5430.7180-62.1-78000115.1V287 Y288V287-H291 PolarHBondContact O-N 3.37Å; Y288-H291 PolarHBondContact O-N 3.4Å
292L70Confident60.9Low93 Ų93111.7 Ų111.749%0.48756%0.562SS.*  trans-67.4142.3173.5-83.281.8000110V287 Y290V287-L292 HydrophobicContact CG1-CB 4.07Å; V287-L292 PolarHBondContact O-N 3.29Å; Y290-L292 VanDerWaalsContact CB-CD1 3.46Å; Y290-L292 PolarHBondContact O-N 3.04Å
293S54.4Low59.9Low89 Ų89114.3 Ų114.362%0.62257%0.567SS**  trans-61.3134.7177.9-80.30000111.3R295 A296S293-R295 PolarHBondContact O-N 3.16Å; S293-A296 PolarHBondContact O-N 3.11Å; S293-A296 VanDerWaalsContact O-N 3.07Å
294P56.7Low58.9Low81 Ų81116.4 Ų116.453%0.52659%0.586SS.*G310 helixtrans-59.45177.5-28.136.2000116.8A296 F297P294-A296 VanDerWaalsContact C-N 3.29Å; P294-F297 HydrophobicContact CB-CD2 4.41Å; P294-F297 HydrophobicContact CB-CE2 4.16Å; P294-F297 WeakPolarHBondContact O-CD2 3.23Å
295R54.4Low57.9Low240 Ų240119.6 Ų119.691%0.90661%0.605SS**G310 helixtrans-88.64.8171.3-68175.3173.3117.21.3112.9S293S293-R295 PolarHBondContact O-N 3.16Å
296A54.1Low56.7Low57 Ų57120 Ų12047%0.47162%0.617SS.*G310 helixtrans-78.9-13.7168.700000113.7S293 P294 L298S293-A296 PolarHBondContact O-N 3.11Å; S293-A296 VanDerWaalsContact O-N 3.07Å; P294-A296 VanDerWaalsContact C-N 3.29Å; A296-L298 PolarHBondContact O-N 3.29Å
297F57.5Low55.2Low85 Ų85125.9 Ų125.937%0.37364%0.639SS.*SBendtrans-69.4130.2175.3-63.7-58.1000111.4T284 V287 P294 H299T284-F297 HydrophobicContact CG2-CZ 4.34Å; V287-F297 HydrophobicContact CG1-CZ 4.39Å; P294-F297 HydrophobicContact CB-CD2 4.41Å; P294-F297 HydrophobicContact CB-CE2 4.16Å; P294-F297 WeakPolarHBondContact O-CD2 3.23Å; F297-H299 PolarHBondContact O-N 3.2Å
298L47.5Very low54.1Low133 Ų133131.4 Ų131.470%0.69668%0.675SS**  trans-67.6117.7162.6-66.3177.5000108.4A296 Y300A296-L298 PolarHBondContact O-N 3.29Å; L298-Y300 VanDerWaalsContact C-N 3.33Å; L298-Y300 HydrophobicContact CB-CD2 4.33Å; L298-Y300 HydrophobicContact CB-CE2 3.88Å; L298-Y300 VanDerWaalsContact O-CD2 3.27Å; L298-Y300 WeakPolarHBondContact O-CD2 3.3Å; L298-Y300 PolarHBondContact O-N 2.75Å
299H43.6Very low52.8Low180 Ų180133.3 Ų133.383%0.83369%0.689SS**  trans-81.674.7-169.8-167.2-64.2000112.1F297 P301F297-H299 PolarHBondContact O-N 3.2Å; H299-P301 WeakPolarHBondContact O-CD 3.32Å
300Y44.8Very low51.2Low154 Ų154138.3 Ų138.360%0.60470%0.698SS**  trans-61.7122.1172.3-69.2-83.8000110.8L298 I303L298-Y300 VanDerWaalsContact C-N 3.33Å; L298-Y300 HydrophobicContact CB-CD2 4.33Å; L298-Y300 HydrophobicContact CB-CE2 3.88Å; L298-Y300 VanDerWaalsContact O-CD2 3.27Å; L298-Y300 WeakPolarHBondContact O-CD2 3.3Å; L298-Y300 PolarHBondContact O-N 2.75Å; Y300-I303 HydrophobicContact CG-CD1 4.39Å
301P47.9Very low49.7Very low100 Ų100135.9 Ų135.965%0.64970%0.704SS**THydrogen-bonded Turntrans-66.2147.817128.9-33.2000110.2H299H299-P301 WeakPolarHBondContact O-CD 3.32Å
302N49Very low48.4Very low162 Ų162132.4 Ų132.487%0.86670%0.695SS**THydrogen-bonded Turntrans74.812.6175.3-49.5-20000117.8
303I55.3Low46.9Very low108 Ų108134.2 Ų134.255%0.55471%0.712SS**  trans-96.2104.4166.1-56.1-178000109.9Y300 V305Y300-I303 HydrophobicContact CG-CD1 4.39Å; I303-V305 HydrophobicContact CG2-CG2 4.41Å; I303-V305 PolarHBondContact O-N 2.65Å
304V55.5Low45.8Very low133 Ų133137.6 Ų137.681%0.80672%0.718SS**  trans-79.6110.6168.7177.30000108.7P306V304-P306 WeakPolarHBondContact O-CD 3.37Å
305V48.5Very low44.8Very low115 Ų115142.6 Ų142.670%0.69773%0.732SS**PPolyproline II helixtrans-80.9121.5174.6-178.80000109.3I303 Q307I303-V305 HydrophobicContact CG2-CG2 4.41Å; I303-V305 PolarHBondContact O-N 2.65Å; V305-Q307 PolarHBondContact O-N 2.8Å
306P44.4Very low43.9Very low113 Ų113137.1 Ų137.173%0.73473%0.727SS**PPolyproline II helixtrans-64.5129.8173.4-19.232.4000110.5V304 P308V304-P306 WeakPolarHBondContact O-CD 3.37Å; P306-P308 WeakPolarHBondContact O-CD 3.47Å
307Q41.2Very low43Very low175 Ų175138.6 Ų138.682%0.81874%0.739SS**PPolyproline II helixtrans-73.7121.7174.2-75.7-161.167.500110.8V305 H309V305-Q307 PolarHBondContact O-N 2.8Å; Q307-H309 PolarHBondContact O-N 2.71Å
308P43.3Very low42.3Very low125 Ų125140.4 Ų140.481%0.81276%0.76SS**PPolyproline II helixtrans-60.6129170-19.632.9000109.6P306 R310P306-P308 WeakPolarHBondContact O-CD 3.47Å; P308-R310 PolarHBondContact O-N 3.07Å
309H40.2Very low41.8Very low184 Ų184143.3 Ų143.385%0.85277%0.769SS**PPolyproline II helixtrans-65.8132.3176.9-77.828.8000110.2Q307 P311Q307-H309 PolarHBondContact O-N 2.71Å; H309-P311 WeakPolarHBondContact O-CD 3.27Å
310R35.9Very low41.4Very low229 Ų229142.5 Ų142.586%0.86477%0.766SS**PPolyproline II helixtrans-77.5116.9179.6-167-177.6-160.7167.84.6108.5P308 T312P308-R310 PolarHBondContact O-N 3.07Å; R310-T312 PolarHBondContact O-N 3.38Å
311P37.2Very low40.9Very low123 Ų123141.3 Ų141.380%0.79977%0.769SS**PPolyproline II helixtrans-65.7123.4178.226.1-33000109.9H309H309-P311 WeakPolarHBondContact O-CD 3.27Å
312T35.6Very low40Very low102 Ų102145 Ų14563%0.62678%0.777SS**PPolyproline II helixtrans-79.4141.2169.440.40000110R310 E314R310-T312 PolarHBondContact O-N 3.38Å; T312-E314 PolarHBondContact O-N 2.95Å
313P37.9Very low38.9Very low130 Ų130141.3 Ų141.384%0.84477%0.77SS**  trans-79.370173.833.8-34.6000110.4
314E31.5Very low39.2Very low161 Ų161141.8 Ų141.875%0.75278%0.78SS**PPolyproline II helixtrans-70137.2174.9-76.2-61.4119.500111.5T312T312-E314 PolarHBondContact O-N 2.95Å
315K36.1Very low39.1Very low186 Ų186141.1 Ų141.181%0.80978%0.778SS**PPolyproline II helixtrans-92.5132.6-176.1177.9-176.4176.4-175.60109.6A317K315-A317 PolarHBondContact O-N 3.3Å
316P35.5Very low38.2Very low124 Ų124143 Ų14381%0.80578%0.781SS**PPolyproline II helixtrans-66134.1-177.226.2-34.1000112.3
317A34Very low38.4Very low88 Ų88143.2 Ų143.273%0.72778%0.782SS**PPolyproline II helixtrans-89.5160.6171.400000111.1K315K315-A317 PolarHBondContact O-N 3.3Å
318P44.6Very low37.9Very low124 Ų124142 Ų14281%0.80578%0.781SS**PPolyproline II helixtrans-96.2161-157.737-37.1000116.1
319H36.3Very low38Very low193 Ų193141.5 Ų141.589%0.89478%0.777SS**  trans-93.2-173.6160.5-70.3-83.6000111.4
320H34.2Very low37.5Very low164 Ų164140.2 Ų140.276%0.75978%0.776SS**  trans-141.2145.1-136.6168.869.4000114.9
321L35Very low37.2Very low129 Ų129134.2 Ų134.268%0.67577%0.769SS**  trans71.8152.2179-55.9176.5000116.7
322Q29.3Very low36.9Very low176 Ų176136.2 Ų136.282%0.82277%0.768SS**  cis-139.3166.86.2-158.3146.2-37.200113.2
323A25.6Very low36.7Very low86 Ų86139.4 Ų139.471%0.71178%0.776SS**  trans-91.1-175.9-170.700000113.7
324P62.2Low36.3Very low118 Ų118141 Ų14177%0.76677%0.772SS**  cis-127.6-154.37.341.1-19.2000112
325P53Low36.3Very low118 Ų118136.4 Ų136.477%0.76676%0.762SS**  cis-134.4-110.22.942.4-20.4000117.8
326M29.7Very low36Very low155 Ų155134.8 Ų134.876%0.76476%0.762SS**  trans-158.5169.5-156.6-74.9-75.9-78.400110.3
327P48.9Very low35.7Very low117 Ų117136.2 Ų136.276%0.7676%0.763SS**  cis-132.8-171.66.933.4-10000117.1
328L30.3Very low35.8Very low149 Ų149135.1 Ų135.178%0.7875%0.754SS**  trans-46.1171.1173.1-72.4167.2000117.6
329P45.3Very low35.2Very low115 Ų115138.4 Ų138.475%0.74776%0.758SS**  cis-149.3156.727.942.2-20.9000122.4
330L29.2Very low35.2Very low158 Ų158134.2 Ų134.283%0.82776%0.757SS**  53.4154.8128.2-148.265.4000125.7
331S29.9Very low35.3Very low103 Ų103130.8 Ų130.872%0.7275%0.751SS**  trans85.9126167.2-131.90000117
332Q31.3Very low36.1Very low165 Ų165129.9 Ų129.977%0.77175%0.753SS**  cis84104.418.6-161.9174.1-10.100116.1
333Q30.8Very low36.1Very low168 Ų168130.4 Ų130.479%0.78575%0.753SS**  trans162.9150.6164.9-120.843-10.900106.2
334Q30.2Very low36.9Very low163 Ų163135.3 Ų135.376%0.76276%0.758SS**  cis-159.1171.9-24.6175.456.116.900107.4
335A30.6Very low35.9Very low66 Ų66139.3 Ų139.355%0.54576%0.764SS.*  trans-54.8173-173.600000119.1
336D29.7Very low35.2Very low151 Ų151142.9 Ų142.981%0.80777%0.767SS**  trans-17.8158.3166-50.6-91.9000118.6
337D29.5Very low35.8Very low154 Ų154143 Ų14382%0.82477%0.77SS**  cis-155.1-17632.1-154.4-52.9000111.7
338A35.7Very low36Very low65 Ų65146.2 Ų146.254%0.53778%0.775SS.*  trans6598.6159.200000119
339H32.2Very low37.1Very low193 Ų193144.1 Ų144.189%0.89477%0.771SS**  176109.8103.2-94.1-69.2000111.6
340A36.8Very low36.9Very low105 Ų105144.4 Ų144.487%0.86877%0.772SS**  trans-89.6121.4176.100000112.2
341S36.5Very low37.8Very low92 Ų92142.9 Ų142.964%0.64377%0.772SS**  trans-155.6107.8165.9-164.40000112.9F343S341-F343 WeakPolarHBondContact OG-CE2 3.44Å
342P50.5Low38.4Very low110 Ų110146.2 Ų146.271%0.71478%0.781SS**  trans-113.2103.3-178.236.4-26.5000113.9
343F31.1Very low38.6Very low187 Ų187142.3 Ų142.382%0.8279%0.785SS**  trans-107.4121.7165.1-60.3-78.3000108.3S341S341-F343 WeakPolarHBondContact OG-CE2 3.44Å
344K42.1Very low39Very low190 Ų190146 Ų14683%0.82679%0.792SS**  cis64.771.223-71.3-172176.1175.90114.9
345F40.1Very low39.4Very low201 Ų201148 Ų14888%0.88280%0.798SS**  trans-57.4132.9159.9-150-94.9000110.4L347F345-L347 HydrophobicContact CE1-CD2 4.48Å
346K38.2Very low39.6Very low193 Ų193153.1 Ų153.184%0.83981%0.81SS**  trans-148134.4172.2-174155.959174.80109.9
347L42.7Very low39.9Very low157 Ų157156.9 Ų156.982%0.82281%0.813SS**  trans-67.9146.2-173.1-65.3167.8000112F345F345-L347 HydrophobicContact CE1-CD2 4.48Å
348Q52.4Low40.2Very low185 Ų185156.5 Ų156.586%0.86481%0.806SS**  trans-109.7133.7-172-172.8177.214.800110.3
349P53.2Low40.3Very low106 Ų106157.9 Ų157.969%0.68882%0.818SS**PPolyproline II helixtrans-75.9153.5173.531.9-34.3000111.6
350P43Very low40.2Very low120 Ų120152.5 Ų152.578%0.77982%0.815SS**PPolyproline II helixtrans-69.4150.5-178.928.9-35.2000112.7
351P48.2Very low40.1Very low126 Ų126153 Ų15382%0.81881%0.812SS**PPolyproline II helixtrans-80150.2-173.832.2-35.9000113.8
352L42.6Very low39.9Very low173 Ų173153.8 Ų153.891%0.90682%0.818SS**PPolyproline II helixtrans-79.4123.2170.7-67.5170.2000110.8
353G34.5Very low39.1Very low83 Ų83156.9 Ų156.986%0.85683%0.827SS**PPolyproline II helixtrans-70.7130.5173.700000112.5
354R38.5Very low39Very low246 Ų246152.7 Ų152.793%0.92883%0.827SS**  trans-116.1143.6165.9-78.5-174.7167.4-173.8-4.8110
355K39.2Very low38.5Very low205 Ų205148.4 Ų148.489%0.89183%0.827SS**  trans-62.3156.1172.2-63.5179.6175.6-178.60110.6
356Q34.8Very low38.1Very low174 Ų174143.6 Ų143.681%0.81382%0.824SS**  170.4150.3107.1-176.5156.4-26.300112
357R36Very low37.7Very low229 Ų229138.6 Ų138.686%0.86482%0.819SS**  trans-149.1113.2158.5177.1171.1-77.1-177-4.7109.1
358E36.6Very low37.1Very low146 Ų146136.2 Ų136.268%0.68282%0.815SS**  trans21.9138.9133.1-54.3-44.3100.400119.4
359A36.4Very low36.1Very low94 Ų94132.9 Ų132.978%0.77781%0.813SS**  cis-163.5169.1-2.500000111.2
360G30.7Very low35.2Very low81 Ų81132.1 Ų132.184%0.83581%0.81SS**  trans168.3124.7170.900000111.6
361S35.6Very low34.6Very low116 Ų116133.2 Ų133.281%0.81181%0.809SS**  trans-116.7141-166.252.50000114.4
362S31.4Very low34Very low108 Ų108135.5 Ų135.576%0.75581%0.809SS**  176.3124.7121.738.60000114.6
363L32.8Very low33.6Very low175 Ų175131.4 Ų131.492%0.91680%0.799SS**  trans48.9151.7134.7-56.5176.2000124.5
364A31Very low33.7Very low98 Ų98132.5 Ų132.581%0.8179%0.794SS**  trans80.777.7149.100000121.3
365A31.3Very low33.5Very low100 Ų100126.6 Ų126.683%0.82679%0.79SS**  trans3.9144.3136.800000123.7
366A30.6Very low33.2Very low100 Ų100125.5 Ų125.583%0.82679%0.786SS**  trans106.9146133.800000121.8
367A31.1Very low33.2Very low89 Ų89122.7 Ų122.774%0.73678%0.781SS**  trans72.385.7153.500000121.9
368S30Very low32.8Very low106 Ų106115.6 Ų115.674%0.74178%0.779SS**  36.3141.1122.159.10000124
369S31Very low32.6Very low115 Ų115113.8 Ų113.880%0.80479%0.789SS**  trans74.2160.916187.40000115.8
370S33.4Very low32.2Very low90 Ų90112.7 Ų112.763%0.62979%0.787SS**  cis-168.5175-27.951.50000109
371N31.8Very low33.4Very low144 Ų144114.9 Ų114.977%0.7779%0.787SS**  trans66.5179.1164.3-63.3-16.6000117.7
372H33.8Very low33.3Very low174 Ų174116.5 Ų116.581%0.80679%0.786SS**  -170116.8-64.5-130.5-95.2000109.5
373A34.5Very low33.5Very low86 Ų86118.4 Ų118.471%0.71179%0.793SS**  trans52.3162.2152.600000124.5
374S37.6Very low33.4Very low107 Ų107113.3 Ų113.375%0.74878%0.782SS**  trans74.5120.1163.374.20000117.8
375S34.4Very low34.7Very low121 Ų121114.8 Ų114.885%0.84678%0.784SS**  109.7155.573.2-73.60000109.6
376F31.3Very low35Very low183 Ų183114.4 Ų114.480%0.80378%0.781SS**  cis-151.4-175.75.886.1-36.9000113.6
377T34.8Very low35.2Very low115 Ų115116.8 Ų116.871%0.70679%0.785SS**  trans-20.8158.9174.964.60000123.6
378G29Very low35.2Very low79 Ų79116.2 Ų116.281%0.81479%0.787SS**  trans-171.7140.1154.700000114
379A32.5Very low35.2Very low109 Ų109115 Ų11590%0.90179%0.792SS**  trans-95.7173.5-172.900000115
380G28.2Very low35.4Very low71 Ų71114.2 Ų114.273%0.73279%0.792SS**  trans-84.2-149.3171.600000113.7
381P55Low36.7Very low127 Ų127115.5 Ų115.583%0.82580%0.798SS**  cis-144.6-176.39.645-26.3000117.7
382N33.1Very low38.2Very low149 Ų149113.4 Ų113.480%0.79779%0.793SS**  trans70.2118141.9-162.229.7000123.2
383V35.7Very low38.2Very low148 Ų148113.5 Ų113.590%0.89779%0.791SS**  trans-173.2159.1138.9-96.60000113.6
384G30.7Very low38.5Very low68 Ų68116.9 Ų116.970%0.70180%0.795SS**  trans-151.6-156.8164.800000109.5
385P58.5Low38.4Very low129 Ų129120.7 Ų120.784%0.83880%0.798SS**  cis-141.2-161-8.744.3-24.6000115.1
386A37.3Very low38.6Very low93 Ų93121.1 Ų121.177%0.76980%0.796SS**  trans75.8160.216300000118.3
387V35.7Very low39.2Very low149 Ų149120.7 Ų120.790%0.90380%0.796SS**  cis-148.4149.427.5172.10000113.5
388G30.9Very low40Very low77 Ų77120 Ų12079%0.79479%0.793SS**  trans126.2162160.200000115.9
389G30.2Very low40.2Very low82 Ų82122.3 Ų122.385%0.84579%0.791SS**  cis175.4144.2-1000000113.6
390A35.8Very low40.2Very low97 Ų97121.9 Ų121.980%0.80278%0.782SS**  trans-166.5-167.7179.200000109.8
391P59.9Low40.4Very low117 Ų117125.3 Ų125.376%0.7678%0.784SS**  cis-132.7-134.1-8.940.1-16.7000110.3
392P64.2Low39.6Very low101 Ų101126.7 Ų126.766%0.65678%0.783SS**  cis-124.3-179.2-30.428.5-4.5000113.4
393K32.2Very low39.7Very low176 Ų176124.6 Ų124.677%0.76578%0.78SS**  175.414781.7-86.9-173.1-180175.50114.8
394I42.3Very low40Very low156 Ų156125.6 Ų125.680%0.878%0.775SS**  trans69.8145.3150.4-64.6160.3000117.7
395K35.2Very low40.6Very low187 Ų187129.4 Ų129.481%0.81378%0.775SS**  cis167.7158.1-48.9174.9171.9176.3177.10108.3
396V39.3Very low39.7Very low130 Ų130130.4 Ų130.479%0.78877%0.773SS**  trans110.8108.6163.1-177.10000114.8
397E43.8Very low40.2Very low175 Ų175132.5 Ų132.582%0.81878%0.776SS**  trans-88.5-162.7161.4-52.7179.7130.400108.7
398P50.7Low40.4Very low99 Ų99133.7 Ų133.764%0.64377%0.772SS**  cis-149.8-161.66.839.1-13.4000117.3
399V32.5Very low41Very low128 Ų128136.3 Ų136.378%0.77677%0.772SS**  trans75.8144.1151.7-69.10000123.3
400S32.9Very low41.3Very low101 Ų101138.1 Ų138.171%0.70677%0.767SS**  trans76.2147.7154.8-79.30000118.7
401D31.7Very low41.6Very low143 Ų143140 Ų14077%0.76576%0.763SS**  cis-146.6-173.80.2-133.8-64.4000113.7
402L38.4Very low40.6Very low155 Ų155141.4 Ų141.481%0.81276%0.763SS**  trans-100.6134.9-179.2-69.7158.7000113.2
403S35.8Very low39.5Very low105 Ų105140.6 Ų140.673%0.73476%0.76SS**  trans-173.2134.1148.342.30000106.7
404E41.3Very low40Very low169 Ų169139.7 Ų139.779%0.7976%0.758SS**  cis83.4167.937.4103.4-164.715500113.2
405E43.3Very low39.9Very low149 Ų149139.6 Ų139.670%0.69675%0.754SS**  trans-57156.1-158.451.6-104.576.500115.8
406D41.3Very low40.3Very low150 Ų150137.4 Ų137.480%0.80275%0.751SS**  -158.7166.671.5-108.7-47.8000117.6
407V46.3Very low40.7Very low137 Ų137138.7 Ų138.783%0.8375%0.749SS**  trans-118.2120.1169.7-83.80000110.5
408E40.7Very low40.6Very low174 Ų174137.2 Ų137.281%0.81375%0.746SS**  trans-140.5143.1165.7-152.5171.6168.400111.7
409V43.1Very low40.1Very low131 Ų131139 Ų13979%0.79475%0.75SS**  trans-120.9130.3174.2173.80000106
410T37.7Very low41.2Very low121 Ų121137.5 Ų137.574%0.74274%0.743SS**  trans-126.2137.5177.840.60000111.7
411D41Very low41.2Very low135 Ų135139.5 Ų139.572%0.72275%0.746SS**  trans-83.9148.3-173.5-79-74.6000113.6
412I38.3Very low41.6Very low147 Ų147135.8 Ų135.875%0.75473%0.731SS**  36.4127.4122.8-49.4172.1000119.1
413S42.6Very low41.8Very low84 Ų84136.6 Ų136.659%0.58773%0.731SS**  trans-179.5123.7136-98.10000108.3
414E42.1Very low42Very low157 Ų157138.7 Ų138.773%0.73473%0.734SS**  76154.583.796.4-159.5133.300113
415E38.9Very low42.4Very low155 Ų155139.5 Ų139.572%0.72474%0.737SS**  cis-155.1-148.79.550.4-163.7134.200112.3
416D43.4Very low42.4Very low140 Ų140141.4 Ų141.475%0.74975%0.746SS**  trans73.2133.4173.9-62.8-26.1000120.1
417E49.7Very low42.2Very low158 Ų158137.7 Ų137.774%0.73874%0.743SS**  cis-148.1137.6-17.2-97.8-167.4115.400106.5
418L40.1Very low41.7Very low143 Ų143138 Ų13875%0.74974%0.74SS**  51.7140.691.4-56.5178.8000114.7
419N41.3Very low41.4Very low136 Ų136136.3 Ų136.373%0.72773%0.734SS**  cis-154.9-159.217.1-146.1-1.6000112.3
420P55.2Low40.9Very low97 Ų97139 Ų13963%0.6374%0.735SS**  -127.5-177.4-115.544.1-27.1000116.5
421N33.8Very low41.9Very low144 Ų144138.3 Ų138.377%0.7773%0.733SS**  -159.2126.5123-132.961.4000112.4
422S38.6Very low42.3Very low65 Ų65137.3 Ų137.346%0.45573%0.734SS.*  trans55.4109.2136.163.80000120.1
423E43.5Very low42.4Very low172 Ų172137.7 Ų137.780%0.80474%0.737SS**  78.412487.3-69.3156.4152.500111.5
424D39.5Very low42.5Very low149 Ų149139.4 Ų139.480%0.79775%0.746SS**  cis-130.9-155.96.1-75-50.1000110
425E50.1Low42.3Very low186 Ų186140.3 Ų140.387%0.86975%0.75SS**  cis-157.8-173.617-158176.551.900110.3
426E43.9Very low41.7Very low189 Ų189138.4 Ų138.488%0.88375%0.753SS**  trans-59.7161.9177.1-73.9172.360.800113.9
427G36.3Very low41.3Very low72 Ų72142 Ų14274%0.74276%0.756SS**  cis116.214221.500000109.6
428D36.5Very low40.3Very low143 Ų143142.6 Ų142.677%0.76576%0.759SS**  cis-159.5170.7-0.6-164-3.7000110.2
429M33.4Very low40.5Very low139 Ų139143.6 Ų143.669%0.68576%0.759SS**  trans67.598.7152.5-147.867.163.700122.2
430F32.9Very low40Very low186 Ų186145.4 Ų145.482%0.81676%0.763SS**  7.4163.7128.5-71.2-90.1000121.9
431P58Low39.1Very low108 Ų108147.7 Ų147.770%0.70177%0.765SS**  -140.4-129.2-51.541.3-19.4000109.9
432P50.3Low39Very low113 Ų113148.9 Ų148.973%0.73477%0.766SS**  -109.1176.6-64.536.7-21.4000113.8
433L40.1Very low38.8Very low155 Ų155150.2 Ų150.281%0.81277%0.767SS**  trans-76.4151.3170.7-77.8157.4000113.5
434P44Very low38.6Very low120 Ų120150.3 Ų150.378%0.77977%0.765SS**  -132.9163.9128.537.8-29.3000114
435H38.9Very low38.4Very low177 Ų177150.4 Ų150.482%0.81977%0.766SS**  trans-88.5129.6-176-71.442.5000113.4
436S27.3Very low37.5Very low114 Ų114144.4 Ų144.480%0.79775%0.753SS**  trans-174.1113.9134.1-87.70000115.4
437R33.5Very low37.1Very low215 Ų215141.6 Ų141.681%0.81176%0.755SS**  25.9119.4121.9-174-171.5-163.11744.5117.9
438H28.4Very low36.8Very low171 Ų171141.5 Ų141.579%0.79275%0.754SS**  -169.3161.2120.3-113-84.6000114.4
439H44.8Very low36.6Very low164 Ų164142.5 Ų142.576%0.75976%0.757SS**  trans-81.5151.5179.3-72.4-99.5000114
440H32.1Very low36.5Very low174 Ų174140.9 Ų140.981%0.80676%0.76SS**  trans-157.1151.5147.1-99.2-87.8000108.4
441H35.9Very low37.6Very low146 Ų146137.4 Ų137.468%0.67676%0.756SS**  cis-173.8142.7-23.5-136.4-125.6000107.9
442H31.9Very low36.2Very low168 Ų168138 Ų13878%0.77876%0.762SS**  trans-151.290.3156.2-152.5-82.3000116.1
443L34.6Very low35.4Very low93 Ų93137 Ų13749%0.48776%0.764SS.*  trans36.4122.5141.5-73.769.8000121.9
444K38.3Very low35.5Very low175 Ų175135.6 Ų135.676%0.76176%0.764SS**  67.5150.2123-60.7-175.5-177.5177.50118.9
445N34.5Very low35Very low151 Ų151137.8 Ų137.881%0.80776%0.764SS**  cis-155.2159.9-5.5-112.59.7000107.2
446G32.7Very low35.8Very low59 Ų59133.9 Ų133.961%0.60875%0.754SS**  cis157.1146.2-4.800000111.5
447S33.7Very low36.1Very low131 Ų131135.9 Ų135.992%0.91675%0.751SS**  trans60.7146.1176.6-57.60000116.5
448G31.3Very low35.9Very low70 Ų70134.7 Ų134.772%0.72275%0.754SS**  cis151.8161.811.900000107.5
449I32.1Very low36.9Very low164 Ų164134 Ų13484%0.84176%0.756SS**  cis-160.7148.217.9-91.5145.9000107.7
450S32Very low37.4Very low105 Ų105131 Ų13173%0.73475%0.751SS**  trans-88.1171.2169-490000110.4
451P54.3Low37.5Very low113 Ų113130.4 Ų130.473%0.73475%0.754SS**  cis-155.6-169.728.545.5-23.1000118.8
452S28.7Very low37.6Very low120 Ų120130.2 Ų130.284%0.83976%0.758SS**  trans80.2151.6147.6-630000121.6
453A34Very low37.9Very low93 Ų93128.6 Ų128.677%0.76976%0.755SS**  trans-99.6-174.9-177.400000110.9
454P43.4Very low37.9Very low124 Ų124132.8 Ų132.881%0.80577%0.772SS**  cis-139.5-171.52041.2-19.4000117.7
455H33.5Very low37.9Very low167 Ų167132.9 Ų132.977%0.77378%0.776SS**  trans-57.7179.1159.2-100.5-110.4000112.7
456P55.1Low37.8Very low94 Ų94130.9 Ų130.961%0.6177%0.768SS**  cis-107-156.229.117.5000111.5
457E33.6Very low37.8Very low157 Ų157137.1 Ų137.173%0.73478%0.779SS**  cis-122.9-166.811.8-43.7-64.7-28.200109.3
458E30Very low37.7Very low189 Ų189139.5 Ų139.588%0.88377%0.773SS**  cis-138.9-179.47.5-60.8178.898.300110.5
459D47.4Very low37.8Very low156 Ų156142 Ų14283%0.83477%0.774SS**  trans-134.7-177.7-179.7-105.1-47.5000110
460P56.7Low38Very low102 Ų102140.1 Ų140.166%0.66277%0.773SS**  cis-132.11764.343.7-28.1000115.8
461D34.6Very low37.7Very low162 Ų162139.5 Ų139.587%0.86677%0.774SS**  -168.6152.3115-97.8-23.8000109.8
462D37.7Very low37.1Very low141 Ų141140.2 Ų140.275%0.75478%0.777SS**  trans-118.8170.5-153.8-146.4-25.4000114.5
463D36.9Very low37.6Very low135 Ų135140.1 Ų140.172%0.72277%0.773SS**  trans45.3163.6161.264.6-119.6000121.3
464E35.8Very low38Very low181 Ų181141 Ų14185%0.84677%0.771SS**  cis-131-178.69.9-68.8-165.998.700113.6
465E37.1Very low38.9Very low177 Ų177141.4 Ų141.483%0.82777%0.773SS**  trans-81.4-166167.3-53.3-170.412500114.2
466V33.3Very low38.7Very low108 Ų108137.3 Ų137.366%0.65578%0.776SS**  trans92.1153.1141.1144.20000119.9
467F31.7Very low37.4Very low190 Ų190136.7 Ų136.783%0.83379%0.787SS**  trans67116.9-171.8-63-69.4000117.6
468K31.5Very low37.2Very low181 Ų181133.3 Ų133.379%0.78779%0.794SS**  cis86.386.97.5-155.1179178.7176.20118.4
469T34.5Very low37.1Very low123 Ų123128.2 Ų128.276%0.75579%0.793SS**  trans66.2145163.425.50000116.9
470P35.3Very low36.3Very low125 Ų125125.6 Ų125.681%0.81279%0.793SS**  -116.7170.460.46.217.9000113.5
471A27.5Very low35Very low92 Ų92130 Ų13076%0.7680%0.802SS**  cis101.4150.12700000115.6
472T40.6Very low35.4Very low128 Ų128128 Ų12879%0.78580%0.798SS**  trans-75148.1-157.6-40.30000116.9
473P38.7Very low35.1Very low118 Ų118128.2 Ų128.277%0.76680%0.798SS**  trans-108.9123.1155.234.8-25.5000113.2
474P44.1Very low35Very low111 Ų111130.7 Ų130.772%0.72181%0.808SS**  trans-105.2-155168.945.3-36.8000109.9
475P60.3Low34.7Very low132 Ų132125.2 Ų125.286%0.85780%0.8SS**  -126.9164.1-116.831.5-9.1000117.1
476G29.3Very low34.5Very low81 Ų81125 Ų12584%0.83580%0.803SS**  trans159.4152.6164.400000113.1
477G29.8Very low34.3Very low81 Ų81129.2 Ų129.284%0.83581%0.813SS**  cis162.5141.5-11.400000113.8
478G28.1Very low34.2Very low86 Ų86127 Ų12789%0.88782%0.815SS**  trans83.4117.4153.600000120.4
479G28.4Very low34.2Very low82 Ų82126.5 Ų126.585%0.84582%0.816SS**  trans86157154.100000117.7
480A29.4Very low34.9Very low101 Ų101125.7 Ų125.784%0.83581%0.812SS**  cis-158.3161.6-13.300000112.1
481F30.7Very low34.6Very low194 Ų194123.3 Ų123.385%0.85181%0.811SS**  trans-71.3164.4167.8-69.2-78.1000111.2
482P43.8Very low35.1Very low122 Ų122128.8 Ų128.879%0.79282%0.821SS**  cis-126.2170.239.3179.5000115.2
483L30.6Very low34.6Very low144 Ų144127.1 Ų127.175%0.75482%0.819SS**  cis98.696.824.4-154.6-175.4000115.2
484M35.3Very low34.4Very low188 Ų188128.1 Ų128.193%0.92682%0.823SS**  trans-137.3143.8139.3-70.2-167.1176.100106
485G29.2Very low34.1Very low66 Ų66126.6 Ų126.668%0.6882%0.82SS**  cis100.2113.227.100000107.6
486L33.2Very low32.9Very low172 Ų172126.5 Ų126.590%0.90182%0.82SS**  cis-132.9158.131.7-57.2140.5000109.6
487K28Very low33.6Very low196 Ų196129 Ų12985%0.85282%0.818SS**  cis81.687.826.6-164.3-178.6175.8178.20117
488T30.5Very low33.7Very low144 Ų144130.9 Ų130.988%0.88382%0.818SS**  trans-147.7149.3146.9-33.70000109.7
489E30.7Very low34.5Very low170 Ų170133.1 Ų133.179%0.79482%0.818SS**  trans-152.6-179.3179.9-155.5-126.5156.700108.8
490P48.5Very low35.1Very low106 Ų106132.6 Ų132.669%0.68881%0.812SS**  -89.7168.8-76.935.9-26.7000113.2
491G29.4Very low35.4Very low75 Ų75131.4 Ų131.477%0.77381%0.809SS**  trans-147.9117.417200000112.4
492Q39Very low36Very low208 Ų208128.4 Ų128.497%0.97281%0.807SS**  trans-97.6102.5-174.8-174.717641.200111.1
493A30.6Very low36.4Very low92 Ų92133.8 Ų133.876%0.7681%0.812SS**  trans-147.9117.1176.800000114.5
494V33.2Very low37.6Very low140 Ų140132 Ų13285%0.84881%0.81SS**  trans38.1115.6141.1-168.10000119
495A38Very low39.3Very low79 Ų79125.7 Ų125.765%0.65378%0.779SS**PPolyproline II helixtrans-74.1138164.800000111.8V497A495-V497 PolarHBondContact O-N 3.22Å
496P35.7Very low41.4Very low130 Ų130126.3 Ų126.384%0.84477%0.772SS**PPolyproline II helixtrans-74116.6174.429.2-32.9000110.9
497V43.5Very low42.8Very low133 Ų133124.9 Ų124.981%0.80676%0.764SS**PPolyproline II helixtrans-97.2126.9172.9-37.90000110.1A495A495-V497 PolarHBondContact O-N 3.22Å
498S32.4Very low44.8Very low120 Ų120124.7 Ų124.784%0.83976%0.763SS**  trans-159.3153.6160.9-87.10000110.4
499P43.4Very low46.7Very low134 Ų134122.6 Ų122.687%0.8775%0.746SS**SBendtrans-94.4157.7-149.335.4-36.7000115.1
500G41.7Very low48.6Very low70 Ų70121 Ų12172%0.72273%0.733SS**  trans121.919.2167.600000117.4T502G500-T502 PolarHBondContact O-N 3.04Å
501G35.9Very low49.9Very low76 Ų76122.7 Ų122.778%0.78473%0.73SS**  trans-7658.4-170.100000118.2R503G501-R503 VanDerWaalsContact C-N 3.33Å; G501-R503 PolarHBondContact O-N 3.03Å
502T42.9Very low52.5Low132 Ų132125.8 Ų125.881%0.8172%0.722SS**  trans-73.68116835.60000111.8G500 C504G500-T502 PolarHBondContact O-N 3.04Å; T502-C504 PolarHBondContact O-N 3.31Å
503R52.9Low54.3Low235 Ų235123 Ų12389%0.88770%0.702SS**  trans-61.4101174.5-66-159.4-68.4-168.8-2.1111.1G501 I505G501-R503 VanDerWaalsContact C-N 3.33Å; G501-R503 PolarHBondContact O-N 3.03Å; R503-I505 PolarHBondContact O-N 3.27Å
504C55.2Low56.5Low106 Ų106127.1 Ų127.172%0.71670%0.698SS**  trans-59.3107.2177.5-81.20000111.4T502 P506T502-C504 PolarHBondContact O-N 3.31Å; C504-P506 WeakPolarHBondContact O-CD 3.44Å
505I70.3Confident58.1Low55 Ų55127.6 Ų127.628%0.28269%0.685SS.*  trans-60.5122.9176.6-57.6163.4000108.6R503 L509 R510R503-I505 PolarHBondContact O-N 3.27Å; I505-L509 HydrophobicContact CG2-CB 3.76Å; I505-R510 HydrophobicContact CB-CG 3.98Å; I505-R510 HydrophobicContact CG2-CG 3.83Å
506P75.1Confident59.9Low80 Ų80127.1 Ų127.152%0.51968%0.677SS.*  trans-52.9142.5179.8-29.535.7000112.8C504 K508 L509 R510C504-P506 WeakPolarHBondContact O-CD 3.44Å; P506-K508 PolarHBondContact O-N 3.02Å; P506-K508 VanDerWaalsContact O-N 3.11Å; P506-L509 HydrophobicContact CB-CD1 4.49Å; P506-L509 HydrophobicContact CG-CD1 4.23Å; P506-L509 WeakPolarHBondContact O-CA 3.4Å; P506-L509 WeakPolarHBondContact O-CB 3.4Å; P506-L509 PolarHBondContact O-N 3.2Å; P506-R510 PolarHBondContact O-N 3.02Å
507L61.5Low61.7Low142 Ų142124.6 Ų124.674%0.74365%0.654SS**Hα-helixtrans-54-38-175.5-64.9175.6000112.8L509 R510 F511L507-L509 VanDerWaalsContact C-N 3.31Å; L507-L509 PolarHBondContact O-N 2.85Å; L507-R510 PolarHBondContact O-N 3.24Å; L507-F511 WeakPolarHBondContact O-CB 3.43Å; L507-F511 PolarHBondContact O-N 3.4Å
508K70.3Confident63.1Low191 Ų191122.6 Ų122.683%0.8364%0.639SS**Hα-helixtrans-64.2-32.8177.7-150.1165.4-175.3174.30112.8P506 K512P506-K508 PolarHBondContact O-N 3.02Å; P506-K508 VanDerWaalsContact O-N 3.11Å; K508-K512 VanDerWaalsContact O-CB 3.3Å; K508-K512 WeakPolarHBondContact O-CB 3.24Å; K508-K512 PolarHBondContact O-N 3.31Å; K508-K512 VanDerWaalsContact O-N 3.09Å
509L69.6Low64.3Low101 Ų101121.9 Ų121.953%0.52962%0.622SS.*Hα-helixtrans-80.1-35.1173.2-82.5165.3000112.5I505 P506 L507 R513I505-L509 HydrophobicContact CG2-CB 3.76Å; P506-L509 HydrophobicContact CB-CD1 4.49Å; P506-L509 HydrophobicContact CG-CD1 4.23Å; P506-L509 WeakPolarHBondContact O-CA 3.4Å; P506-L509 WeakPolarHBondContact O-CB 3.4Å; P506-L509 PolarHBondContact O-N 3.2Å; L507-L509 VanDerWaalsContact C-N 3.31Å; L507-L509 PolarHBondContact O-N 2.85Å; L509-R513 VanDerWaalsContact O-CB 3.27Å; L509-R513 WeakPolarHBondContact O-CB 3.46Å; L509-R513 PolarHBondContact O-N 3.32Å
510R70.5Confident65.7Low136 Ų136121.6 Ų121.651%0.51360%0.603SS.*Hα-helixtrans-62.4-46171.1-79.4179.1158.4160.4-5.7111.5I505 P506 L507 R513 R514I505-R510 HydrophobicContact CB-CG 3.98Å; I505-R510 HydrophobicContact CG2-CG 3.83Å; P506-R510 PolarHBondContact O-N 3.02Å; L507-R510 PolarHBondContact O-N 3.24Å; R510-R513 PolarHBondContact O-N 3.48Å; R510-R514 PolarHBondContact O-N 3.13Å
511F77.2Confident66.8Low142 Ų142125 Ų12562%0.62360%0.603SS**Hα-helixtrans-64.4-49.7176.7-174.8-92.7000111.8L507 R513 R514 W515L507-F511 WeakPolarHBondContact O-CB 3.43Å; L507-F511 PolarHBondContact O-N 3.4Å; F511-R513 VanDerWaalsContact C-N 3.32Å; F511-R513 PolarHBondContact O-N 3.43Å; F511-R514 PolarHBondContact O-N 3.01Å; F511-W515 HydrophobicContact CE1-CE3 4.48Å; F511-W515 HydrophobicContact CZ-CE3 4.16Å; F511-W515 WeakPolarHBondContact O-CB 3.47Å; F511-W515 PolarHBondContact O-N 2.93Å
512K84Confident68.1Low139 Ų139127.2 Ų127.260%0.60459%0.592SS**Hα-helixtrans-55.7-45.9176.2-179.876.479.2165.10111.5K508 W515 S516K508-K512 VanDerWaalsContact O-CB 3.3Å; K508-K512 WeakPolarHBondContact O-CB 3.24Å; K508-K512 PolarHBondContact O-N 3.31Å; K508-K512 VanDerWaalsContact O-N 3.09Å; K512-W515 PolarHBondContact O-N 3.17Å; K512-S516 PolarHBondContact O-N 3.31Å; K512-S516 PolarHBondContact O-OG 3.08Å
513R77.1Confident68.9Low149 Ų149124 Ų12456%0.56258%0.579SS**Hα-helixtrans-62.3-45178.8-168.6-175.2-57.4-176.5-0.3111.6L509 R510 F511 S516 E517L509-R513 VanDerWaalsContact O-CB 3.27Å; L509-R513 WeakPolarHBondContact O-CB 3.46Å; L509-R513 PolarHBondContact O-N 3.32Å; R510-R513 PolarHBondContact O-N 3.48Å; F511-R513 VanDerWaalsContact C-N 3.32Å; F511-R513 PolarHBondContact O-N 3.43Å; R513-S516 PolarHBondContact O-N 3.35Å; R513-E517 VanDerWaalsContact O-CB 3.32Å; R513-E517 WeakPolarHBondContact O-CB 3.27Å; R513-E517 PolarHBondContact O-N 2.97Å
514R76.1Confident68.9Low180 Ų180116.9 Ų116.968%0.67956%0.559SS**Hα-helixtrans-68.2-37.6179-167.9159.8-176.6156.70.7112.8R510 F511 E517 D518R510-R514 PolarHBondContact O-N 3.13Å; F511-R514 PolarHBondContact O-N 3.01Å; R514-E517 WeakPolarHBondContact O-CB 3.33Å; R514-E517 PolarHBondContact O-N 3.44Å; R514-E517 VanDerWaalsContact O-N 3.08Å; R514-D518 PolarHBondContact O-N 3.03Å
515W67.7Low68.8Low150 Ų150113.4 Ų113.457%0.56854%0.541SS*.Hα-helixtrans-62.1-42.5173.4-175.6-86.8000112.6F511 K512 E517 Q519F511-W515 HydrophobicContact CE1-CE3 4.48Å; F511-W515 HydrophobicContact CZ-CE3 4.16Å; F511-W515 WeakPolarHBondContact O-CB 3.47Å; F511-W515 PolarHBondContact O-N 2.93Å; K512-W515 PolarHBondContact O-N 3.17Å; W515-E517 PolarHBondContact O-N 3.4Å; W515-Q519 WeakPolarHBondContact O-CB 3.28Å; W515-Q519 WeakPolarHBondContact O-CG 3.3Å; W515-Q519 PolarHBondContact O-N 3.22Å; W515-Q519 VanDerWaalsContact O-N 3.13Å
516S74.7Confident67.7Low69 Ų69117 Ų11748%0.48356%0.56SS.*Hα-helixtrans-73.2-14.8173-64.80000113.8K512 R513 R520K512-S516 PolarHBondContact O-N 3.31Å; K512-S516 PolarHBondContact O-OG 3.08Å; R513-S516 PolarHBondContact O-N 3.35Å; S516-R520 PolarHBondContact O-N 3.36Å
517E73.3Confident66.5Low77 Ų77120 Ų12036%0.3656%0.561SS.*Hα-helixtrans-82.9-49.4175.4-170.713167.900110.5R513 R514 W515 Q519 R520 M521R513-E517 VanDerWaalsContact O-CB 3.32Å; R513-E517 WeakPolarHBondContact O-CB 3.27Å; R513-E517 PolarHBondContact O-N 2.97Å; R514-E517 WeakPolarHBondContact O-CB 3.33Å; R514-E517 PolarHBondContact O-N 3.44Å; R514-E517 VanDerWaalsContact O-N 3.08Å; W515-E517 PolarHBondContact O-N 3.4Å; E517-Q519 VanDerWaalsContact C-N 3.34Å; E517-Q519 PolarHBondContact O-N 3.01Å; E517-R520 VanDerWaalsContact O-CG 3.23Å; E517-R520 WeakPolarHBondContact O-CG 3.49Å; E517-R520 PolarHBondContact O-N 3.48Å; E517-R520 IonicContact OE2-CZ 3.05Å; E517-R520 VanDerWaalsContact OE2-CZ 3.24Å; E517-R520 IonicContact OE2-NH1 3.55Å; E517-R520 PolarHBondContact OE2-NH1 2.92Å; E517-R520 IonicContact OE2-NH2 2.84Å; E517-R520 PolarHBondContact OE2-NH2 3.09Å; E517-M521 PolarHBondContact O-N 3.11Å
518D72.7Confident65.9Low91 Ų91119.7 Ų119.749%0.48756%0.556SS.*Hα-helixtrans-52.9-50169.4-78.838.7000110.8R514 R520 M521 E522R514-D518 PolarHBondContact O-N 3.03Å; D518-R520 VanDerWaalsContact C-N 3.34Å; D518-R520 PolarHBondContact O-N 2.95Å; D518-M521 WeakPolarHBondContact O-CA 3.33Å; D518-M521 WeakPolarHBondContact O-CB 3.37Å; D518-M521 PolarHBondContact O-N 3.43Å; D518-E522 PolarHBondContact O-N 2.87Å
519Q58.4Low64.9Low104 Ų104116.5 Ų116.549%0.48654%0.544SS..Hα-helixtrans-64.9-28.4-177.3-79.3-88.8-81.100114.9W515 E517 E522 A523W515-Q519 WeakPolarHBondContact O-CB 3.28Å; W515-Q519 WeakPolarHBondContact O-CG 3.3Å; W515-Q519 PolarHBondContact O-N 3.22Å; W515-Q519 VanDerWaalsContact O-N 3.13Å; E517-Q519 VanDerWaalsContact C-N 3.34Å; E517-Q519 PolarHBondContact O-N 3.01Å; Q519-E522 PolarHBondContact NE2-OE2 3.24Å; Q519-A523 PolarHBondContact O-N 3.4Å
520R73.3Confident64Low128 Ų128113.9 Ų113.948%0.48354%0.537SS..Hα-helixtrans-76.8-28.5169.675146.6-167.3-72.7-6.1112.1S516 E517 D518 A523 D524S516-R520 PolarHBondContact O-N 3.36Å; E517-R520 VanDerWaalsContact O-CG 3.23Å; E517-R520 WeakPolarHBondContact O-CG 3.49Å; E517-R520 PolarHBondContact O-N 3.48Å; E517-R520 IonicContact OE2-CZ 3.05Å; E517-R520 VanDerWaalsContact OE2-CZ 3.24Å; E517-R520 IonicContact OE2-NH1 3.55Å; E517-R520 PolarHBondContact OE2-NH1 2.92Å; E517-R520 IonicContact OE2-NH2 2.84Å; E517-R520 PolarHBondContact OE2-NH2 3.09Å; D518-R520 VanDerWaalsContact C-N 3.34Å; D518-R520 PolarHBondContact O-N 2.95Å; R520-A523 PolarHBondContact O-N 2.85Å; R520-D524 PolarHBondContact O-N 3.08Å
521M64.8Low62.9Low143 Ų143112 Ų11270%0.70453%0.534SS*.Hα-helixtrans-74.9-31.5-177.1-147.9164-17100111.3E517 D518 G525E517-M521 PolarHBondContact O-N 3.11Å; D518-M521 WeakPolarHBondContact O-CA 3.33Å; D518-M521 WeakPolarHBondContact O-CB 3.37Å; D518-M521 PolarHBondContact O-N 3.43Å; M521-G525 PolarHBondContact O-N 3.28Å
522E63.5Low61.6Low122 Ų122109.8 Ų109.857%0.5753%0.528SS*.Hα-helixtrans-64.2-48.3164.2-64.7-179.6126.700110.8D518 Q519 G525 D526D518-E522 PolarHBondContact O-N 2.87Å; Q519-E522 PolarHBondContact NE2-OE2 3.24Å; E522-G525 PolarHBondContact O-N 2.8Å; E522-D526 PolarHBondContact O-N 2.74Å
523A58.2Low60.2Low64 Ų64109 Ų10953%0.52953%0.525SS..Hα-helixtrans-69.9-35.1-175.100000115.8Q519 R520Q519-A523 PolarHBondContact O-N 3.4Å; R520-A523 PolarHBondContact O-N 2.85Å
524D52.9Low58.8Low86 Ų86109.2 Ų109.246%0.4653%0.53SS..Hα-helixtrans-75.4-33.3172.4-82.5-52.9000111.2R520 R527 E528R520-D524 PolarHBondContact O-N 3.08Å; D524-R527 PolarHBondContact O-N 2.96Å; D524-E528 PolarHBondContact O-N 3.04Å
525G53.5Low57.5Low33 Ų33105.3 Ų105.334%0.3453%0.526SS..Hα-helixtrans-62.4-42.5178.100000113.5M521 E522 R527 E528 E529M521-G525 PolarHBondContact O-N 3.28Å; E522-G525 PolarHBondContact O-N 2.8Å; G525-R527 PolarHBondContact O-N 2.89Å; G525-E528 PolarHBondContact O-N 3.07Å; G525-E529 PolarHBondContact O-N 3.19Å
526D48.1Very low56.5Low129 Ų129104.5 Ų104.569%0.6953%0.532SS*.Hα-helixtrans-60.4-23.6172.3-90.5-50.4000112.9E522E522-D526 PolarHBondContact O-N 2.74Å
527R49.2Very low55.1Low143 Ų143104.1 Ų104.154%0.5454%0.539SS..Hα-helixtrans-89.8-38.2178.2-161.5166.473.283.2-4.8112.9D524 G525 A530 E531D524-R527 PolarHBondContact O-N 2.96Å; G525-R527 PolarHBondContact O-N 2.89Å; R527-A530 WeakPolarHBondContact O-CB 3.27Å; R527-A530 PolarHBondContact O-N 3.5Å; R527-A530 VanDerWaalsContact O-N 3.16Å; R527-E531 IonicContact CZ-OE1 2.63Å; R527-E531 IonicContact NH1-OE1 2.74Å; R527-E531 PolarHBondContact NH1-OE1 3Å; R527-E531 IonicContact NH1-OE2 2.8Å; R527-E531 PolarHBondContact O-N 3.32Å
528E49.7Very low54Low137 Ų137108 Ų10864%0.6456%0.561SS**Hα-helixtrans-62.3-45.4173-163.5168.1-177.200110.5D524 G525 A530 E531 D532D524-E528 PolarHBondContact O-N 3.04Å; G525-E528 PolarHBondContact O-N 3.07Å; E528-A530 PolarHBondContact O-N 3.32Å; E528-A530 VanDerWaalsContact O-N 3.11Å; E528-E531 PolarHBondContact O-N 3.07Å; E528-D532 PolarHBondContact O-N 3.38Å
529E47.8Very low52.7Low124 Ų124111.3 Ų111.358%0.57958%0.576SS**Hα-helixtrans-66.6-13.9175.8-147.1-160.998.600113.2G525 K533G525-E529 PolarHBondContact O-N 3.19Å; E529-K533 WeakPolarHBondContact O-CD 3.47Å; E529-K533 WeakPolarHBondContact O-CE 3.19Å; E529-K533 VanDerWaalsContact O-CG 3.28Å; E529-K533 WeakPolarHBondContact O-CG 3.31Å; E529-K533 PolarHBondContact O-NZ 3.3Å; E529-K533 WeakPolarHBondContact OE1-CE 3.49Å; E529-K533 IonicContact OE1-NZ 3.45Å; E529-K533 PolarHBondContact OE1-NZ 3.32Å
530A50.7Low52.1Low45 Ų45113.8 Ų113.837%0.37259%0.592SS.*Hα-helixtrans-89.7-17.5174.200000113.5R527 E528R527-A530 WeakPolarHBondContact O-CB 3.27Å; R527-A530 PolarHBondContact O-N 3.5Å; R527-A530 VanDerWaalsContact O-N 3.16Å; E528-A530 PolarHBondContact O-N 3.32Å; E528-A530 VanDerWaalsContact O-N 3.11Å
531E48.4Very low51.1Low97 Ų97113 Ų11345%0.45360%0.603SS.*Hα-helixtrans-96.3-40.1-176.7-71175-160.500111.2R527 E528 K533 K534R527-E531 IonicContact CZ-OE1 2.63Å; R527-E531 IonicContact NH1-OE1 2.74Å; R527-E531 PolarHBondContact NH1-OE1 3Å; R527-E531 IonicContact NH1-OE2 2.8Å; R527-E531 PolarHBondContact O-N 3.32Å; E528-E531 PolarHBondContact O-N 3.07Å; E531-K533 VanDerWaalsContact C-N 3.28Å; E531-K533 PolarHBondContact O-N 3.29Å; E531-K534 WeakPolarHBondContact O-CB 3.38Å; E531-K534 PolarHBondContact O-N 2.93Å
532D49.3Very low50.2Low95 Ų95112.3 Ų112.351%0.50861%0.609SS.*Hα-helixtrans-57.8-37.6172.6-98.9-38.9000113.2E528 K534 V535 L536E528-D532 PolarHBondContact O-N 3.38Å; D532-K534 PolarHBondContact O-N 3.36Å; D532-K534 VanDerWaalsContact O-N 3.11Å; D532-V535 PolarHBondContact O-N 2.89Å; D532-V535 VanDerWaalsContact O-N 3.07Å; D532-L536 PolarHBondContact O-N 3.4Å
533K53.8Low49.3Very low123 Ų123110.6 Ų110.654%0.53562%0.616SS.*Hα-helixtrans-59.8-22.1177.2-70.5175.5-173.1120.60113.3E529 E531E529-K533 WeakPolarHBondContact O-CD 3.47Å; E529-K533 WeakPolarHBondContact O-CE 3.19Å; E529-K533 VanDerWaalsContact O-CG 3.28Å; E529-K533 WeakPolarHBondContact O-CG 3.31Å; E529-K533 PolarHBondContact O-NZ 3.3Å; E529-K533 WeakPolarHBondContact OE1-CE 3.49Å; E529-K533 IonicContact OE1-NZ 3.45Å; E529-K533 PolarHBondContact OE1-NZ 3.32Å; E531-K533 VanDerWaalsContact C-N 3.28Å; E531-K533 PolarHBondContact O-N 3.29Å
534K49.3Very low48.6Very low153 Ų153113.5 Ų113.567%0.66563%0.629SS**Hα-helixtrans-86.9-32.7175.9-64.8176.5-177.3170.60112.4E531 D532E531-K534 WeakPolarHBondContact O-CB 3.38Å; E531-K534 PolarHBondContact O-N 2.93Å; D532-K534 PolarHBondContact O-N 3.36Å; D532-K534 VanDerWaalsContact O-N 3.11Å
535V48.3Very low48.4Very low98 Ų98114.3 Ų114.359%0.59464%0.637SS**Hα-helixtrans-73.1-42.8178.6-176.80000110.7D532 G537 L538D532-V535 PolarHBondContact O-N 2.89Å; D532-V535 VanDerWaalsContact O-N 3.07Å; V535-G537 PolarHBondContact O-N 3.5Å; V535-L538 PolarHBondContact O-N 2.88Å
536L47.4Very low48.1Very low134 Ų134120.8 Ų120.870%0.70266%0.659SS**G310 helixtrans-66.8-21.4176.8-69.9171.5000113.6D532 L538D532-L536 PolarHBondContact O-N 3.4Å; L536-L538 VanDerWaalsContact C-N 3.29Å; L536-L538 PolarHBondContact O-N 3.45Å
537G45.4Very low48.1Very low60 Ų60125.6 Ų125.662%0.61967%0.667SS**G310 helixtrans-74.4-10.5178.300000115.5V535V535-G537 PolarHBondContact O-N 3.5Å
538L50.2Low48.1Very low159 Ų159127.4 Ų127.483%0.83267%0.674SS**G310 helixtrans-113.39.1-172.2-67.4178.1000114.7V535 L536V535-L538 PolarHBondContact O-N 2.88Å; L536-L538 VanDerWaalsContact C-N 3.29Å; L536-L538 PolarHBondContact O-N 3.45Å
539M45.1Very low48.1Very low161 Ų161124 Ų12479%0.79367%0.669SS**  trans-135.344.2-175.8-159.5146.859.800114.3
540L45.2Very low48.4Very low156 Ų156120.9 Ų120.982%0.81766%0.661SS**  trans-109133.9159.2-106.270.7000109.8
541P51.7Low48.8Very low111 Ų111120.7 Ų120.772%0.72166%0.657SS**PPolyproline II helixtrans-70.3153.6167.331.5-34.2000110.6A543P541-A543 PolarHBondContact O-N 3.05Å
542P45.8Very low49.5Very low129 Ų129122.1 Ų122.184%0.83866%0.664SS**PPolyproline II helixtrans-64.6135.117727.5-34.4000111.1
543A46Very low50.1Low86 Ų86123.4 Ų123.471%0.71167%0.67SS**PPolyproline II helixtrans-67.5145.2178.600000111.8P541 T545P541-A543 PolarHBondContact O-N 3.05Å; A543-T545 PolarHBondContact O-N 3.32Å
544P43.1Very low50.6Low124 Ų124123.7 Ų123.781%0.80567%0.673SS**PPolyproline II helixtrans-67.3133.2177.628.1-34.3000111.2Q546P544-Q546 PolarHBondContact O-N 3.38Å; P544-Q546 VanDerWaalsContact O-N 3.14Å
545T47.8Very low51.6Low103 Ų103124.8 Ų124.863%0.63267%0.673SS**  trans-77.998.4-175.442.40000112.2A543 R547 R548A543-T545 PolarHBondContact O-N 3.32Å; T545-R547 PolarHBondContact O-N 2.85Å; T545-R548 PolarHBondContact O-N 3.47Å
546Q47.8Very low52.4Low169 Ų169122.2 Ų122.279%0.7966%0.663SS**Hα-helixtrans-49.4-31.4-178.4-79.3-179.9-71.200114.7P544 R548 A549 S550P544-Q546 PolarHBondContact O-N 3.38Å; P544-Q546 VanDerWaalsContact O-N 3.14Å; Q546-R548 PolarHBondContact O-N 3.43Å; Q546-R548 VanDerWaalsContact O-N 3.12Å; Q546-A549 PolarHBondContact O-N 3.12Å; Q546-S550 PolarHBondContact O-N 3.09Å
547R49Very low53.4Low231 Ų231120 Ų12087%0.87265%0.654SS**Hα-helixtrans-54.7-29.5177.3-71.1-171.5178.7-174.9-1.1113.7T545T545-R547 PolarHBondContact O-N 2.85Å
548R49.5Very low54.3Low181 Ų181119.7 Ų119.768%0.68365%0.646SS**Hα-helixtrans-72.9-48-176.6-141.4174.6-160.3143.65.1112.1T545 Q546 S550 S551 E552T545-R548 PolarHBondContact O-N 3.47Å; Q546-R548 PolarHBondContact O-N 3.43Å; Q546-R548 VanDerWaalsContact O-N 3.12Å; R548-S550 VanDerWaalsContact C-N 3.3Å; R548-S550 PolarHBondContact O-N 3.41Å; R548-S551 PolarHBondContact O-N 3.4Å; R548-S551 VanDerWaalsContact O-N 3.09Å; R548-S551 PolarHBondContact O-OG 3.17Å; R548-E552 PolarHBondContact O-N 3.25Å
549A48.1Very low54.9Low65 Ų65118.8 Ų118.854%0.53764%0.638SS.*Hα-helixtrans-60.5-37.4179.600000112.6Q546 S551 E552 L553Q546-A549 PolarHBondContact O-N 3.12Å; A549-S551 PolarHBondContact O-N 2.92Å; A549-E552 PolarHBondContact O-N 3Å; A549-L553 WeakPolarHBondContact O-CB 3.42Å; A549-L553 PolarHBondContact O-N 2.85Å
550S54.6Low55.5Low58 Ų58116.8 Ų116.841%0.40663%0.63SS.*Hα-helixtrans-59.3-44.2174.2-178.70000112Q546 R548 E552 L553 Q554Q546-S550 PolarHBondContact O-N 3.09Å; R548-S550 VanDerWaalsContact C-N 3.3Å; R548-S550 PolarHBondContact O-N 3.41Å; S550-E552 PolarHBondContact O-N 2.85Å; S550-L553 PolarHBondContact O-N 3.47Å; S550-Q554 WeakPolarHBondContact O-CB 3.25Å; S550-Q554 VanDerWaalsContact O-CG 3.3Å; S550-Q554 WeakPolarHBondContact O-CG 3.3Å; S550-Q554 PolarHBondContact O-N 2.95Å
551S58.5Low55.9Low42 Ų42113.6 Ų113.629%0.29462%0.621SS.*Hα-helixtrans-69.5-28-179.672.90000114.4R548 A549 R555R548-S551 PolarHBondContact O-N 3.4Å; R548-S551 VanDerWaalsContact O-N 3.09Å; R548-S551 PolarHBondContact O-OG 3.17Å; A549-S551 PolarHBondContact O-N 2.92Å; S551-R555 WeakPolarHBondContact O-CD 3.46Å; S551-R555 VanDerWaalsContact O-CG 3.29Å; S551-R555 WeakPolarHBondContact O-CG 3.41Å; S551-R555 PolarHBondContact O-N 2.75Å
552E64.2Low56.1Low127 Ų127114.8 Ų114.859%0.59362%0.62SS**Hα-helixtrans-79.8-40.4174.5-70.6178.1133.400111.2R548 A549 S550 R555 A556R548-E552 PolarHBondContact O-N 3.25Å; A549-E552 PolarHBondContact O-N 3Å; S550-E552 PolarHBondContact O-N 2.85Å; E552-R555 PolarHBondContact O-N 2.95Å; E552-A556 PolarHBondContact O-N 3.19Å
553L61.4Low56.5Low122 Ų122116.1 Ų116.164%0.63962%0.615SS**Hα-helixtrans-61.8-45.1174.8-169.567.4000111.6A549 S550 R555 A556 T557A549-L553 WeakPolarHBondContact O-CB 3.42Å; A549-L553 PolarHBondContact O-N 2.85Å; S550-L553 PolarHBondContact O-N 3.47Å; L553-R555 VanDerWaalsContact C-N 3.31Å; L553-R555 PolarHBondContact O-N 3.07Å; L553-A556 PolarHBondContact O-N 3.04Å; L553-T557 PolarHBondContact O-N 3.34Å; L553-T557 PolarHBondContact O-OG1 2.91Å; L553-T557 VanDerWaalsContact O-OG1 3.13Å
554Q64.8Low56.7Low128 Ų128119.3 Ų119.360%0.59862%0.62SS**Hα-helixtrans-61.6-36.5175.7-75.3172.2-22.200112.7S550 A558S550-Q554 WeakPolarHBondContact O-CB 3.25Å; S550-Q554 VanDerWaalsContact O-CG 3.3Å; S550-Q554 WeakPolarHBondContact O-CG 3.3Å; S550-Q554 PolarHBondContact O-N 2.95Å; Q554-A558 WeakPolarHBondContact O-CB 3.42Å; Q554-A558 PolarHBondContact O-N 2.85Å
555R69.1Low57.2Low176 Ų176117.4 Ų117.466%0.66462%0.615SS**Hα-helixtrans-68.7-40.5174-77.3172.1177.6160.50.2112.5S551 E552 L553 A558 Q559S551-R555 WeakPolarHBondContact O-CD 3.46Å; S551-R555 VanDerWaalsContact O-CG 3.29Å; S551-R555 WeakPolarHBondContact O-CG 3.41Å; S551-R555 PolarHBondContact O-N 2.75Å; E552-R555 PolarHBondContact O-N 2.95Å; L553-R555 VanDerWaalsContact C-N 3.31Å; L553-R555 PolarHBondContact O-N 3.07Å; R555-A558 PolarHBondContact O-N 2.74Å; R555-Q559 PolarHBondContact O-N 3.35Å
556A66.3Low57.5Low45 Ų45115.8 Ų115.837%0.37262%0.618SS.*Hα-helixtrans-63.2-44.317500000111.7E552 L553 A558 Q559 L560E552-A556 PolarHBondContact O-N 3.19Å; L553-A556 PolarHBondContact O-N 3.04Å; A556-A558 VanDerWaalsContact C-N 3.34Å; A556-A558 PolarHBondContact O-N 2.86Å; A556-Q559 PolarHBondContact O-N 2.99Å; A556-L560 WeakPolarHBondContact O-CG 3.34Å; A556-L560 PolarHBondContact O-N 2.63Å
557T68.5Low57.3Low86 Ų86117 Ų11753%0.52864%0.643SS.*Hα-helixtrans-61.7-40.1173.5-56.30000112L553 L560 S561L553-T557 PolarHBondContact O-N 3.34Å; L553-T557 PolarHBondContact O-OG1 2.91Å; L553-T557 VanDerWaalsContact O-OG1 3.13Å; T557-L560 PolarHBondContact O-N 2.93Å; T557-S561 WeakPolarHBondContact O-CB 3.34Å; T557-S561 PolarHBondContact O-N 3.41Å
558A63.7Low57.7Low54 Ų54111.3 Ų111.345%0.44663%0.632SS.*Hα-helixtrans-65.3-37.2177.300000113.1Q554 R555 A556 S561 L562Q554-A558 WeakPolarHBondContact O-CB 3.42Å; Q554-A558 PolarHBondContact O-N 2.85Å; R555-A558 PolarHBondContact O-N 2.74Å; A556-A558 VanDerWaalsContact C-N 3.34Å; A556-A558 PolarHBondContact O-N 2.86Å; A558-S561 PolarHBondContact O-N 3.41Å; A558-L562 PolarHBondContact O-N 3.23Å
559Q63.2Low58.2Low140 Ų140107.6 Ų107.665%0.65463%0.629SS**Hα-helixtrans-67.8-46.4174.1-72.5-168.7-55.200111.8R555 A556 S561 L562 E563R555-Q559 PolarHBondContact O-N 3.35Å; A556-Q559 PolarHBondContact O-N 2.99Å; Q559-S561 PolarHBondContact O-N 3.42Å; Q559-L562 PolarHBondContact O-N 3.33Å; Q559-E563 PolarHBondContact O-N 2.87Å
560L57.2Low58.7Low120 Ų120110 Ų11063%0.62864%0.635SS**Hα-helixtrans-60.7-29.9176.3-69.8170000112.8A556 T557 L562 N564A556-L560 WeakPolarHBondContact O-CG 3.34Å; A556-L560 PolarHBondContact O-N 2.63Å; T557-L560 PolarHBondContact O-N 2.93Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-N564 PolarHBondContact O-N 2.94Å
561S54.6Low59Low89 Ų89113.1 Ų113.162%0.62265%0.648SS**Hα-helixtrans-76.5-15.3175-1690000114.5T557 A558 Q559T557-S561 WeakPolarHBondContact O-CB 3.34Å; T557-S561 PolarHBondContact O-N 3.41Å; A558-S561 PolarHBondContact O-N 3.41Å; Q559-S561 PolarHBondContact O-N 3.42Å
562L55.7Low59Low135 Ų135117.5 Ų117.571%0.70767%0.67SS**Hα-helixtrans-93.1-35.3174.3-89.6157000111.7A558 Q559 L560 N564 A565A558-L562 PolarHBondContact O-N 3.23Å; Q559-L562 PolarHBondContact O-N 3.33Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-N564 PolarHBondContact O-N 3.33Å; L562-A565 PolarHBondContact O-N 3.25Å
563E53.6Low58.6Low157 Ų157116.9 Ų116.973%0.73468%0.675SS**Hα-helixtrans-71.3-26.7-179.1-142.6156.2108.500112.6Q559 A565Q559-E563 PolarHBondContact O-N 2.87Å; E563-A565 VanDerWaalsContact C-N 3.29Å; E563-A565 PolarHBondContact O-N 3.45Å
564N51.2Low58.4Low154 Ų154116.5 Ų116.582%0.82468%0.678SS**THydrogen-bonded Turntrans-82.35.8176.2-113.417.7000114.9L560 L562L560-N564 PolarHBondContact O-N 2.94Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-N564 PolarHBondContact O-N 3.33Å
565A53.1Low58Low84 Ų84115.6 Ų115.669%0.69468%0.684SS**THydrogen-bonded Turntrans-103.614.2179.600000113.5L562 E563L562-A565 PolarHBondContact O-N 3.25Å; E563-A565 VanDerWaalsContact C-N 3.29Å; E563-A565 PolarHBondContact O-N 3.45Å
566G53.6Low57Low68 Ų68110.6 Ų110.670%0.70169%0.686SS**  trans-13424.8-16900000116.2
567C43.8Very low56.2Low195 Ų195116.5 Ų116.5100%1.31871%0.714SS**  trans-131.90176.9-72.60000110.8

Retrieved 567 of 567 residues in 642.1 ms (Link to these results)

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