A0A096MS50_PAPAN Loading...

Myocyte enhancer factor 2C AlphaSync

AlphaFold DB (Q06413-4), UniProt , Accession A0A096MS50, Species PAPAN (Papio anubis, Olive baboon), Gene MEF2C, Length 417 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
1M71Confident92.1Very high242 Ų242150.1 Ų150.1100%1.19271%0.714SS**  0148.60-165.456.783.600109.4
2G83.4Confident92.6Very high60 Ų60150.5 Ų150.562%0.61972%0.718SS**  trans-75.4157.1172.600000112.2K4G2-K4 VanDerWaalsContact C-N 3.3Å; G2-K4 PolarHBondContact O-N 3.43Å
3R93.5Very high93Very high267 Ų267145 Ų145100%1.00870%0.695SS**SBendtrans-66.4-27.4179.9-67.1-175.9-176.6167.70.4113.9
4K94.9Very high93.3Very high179 Ų179142.1 Ų142.178%0.77868%0.68SS**SBendtrans-146.2140.9-179.5-175.6175.9176.7177.40109.3G2G2-K4 VanDerWaalsContact C-N 3.3Å; G2-K4 PolarHBondContact O-N 3.43Å
5K93.9Very high93.7Very high159 Ų159146.2 Ų146.269%0.69169%0.686SS**  trans-69.5135.8169.8-173.8178.1-179-179.20109.1
6I94Very high93.9Very high88 Ų88143.1 Ų143.145%0.45168%0.676SS.*  trans-115.8147.5175.462.5172.1000110.1
7Q95.3Very high94.2Very high158 Ų158138.1 Ų138.174%0.73865%0.649SS**  trans-71.9154.9169.4-69.8175.2-16.700109.9T9Q7-T9 VanDerWaalsContact C-N 3.29Å; Q7-T9 HydrophobicContact CB-CG2 4.38Å; Q7-T9 PolarHBondContact O-N 3.22Å; Q7-T9 VanDerWaalsContact O-N 3.13Å
8I95.4Very high94.4Very high144 Ų144135.3 Ų135.374%0.73864%0.636SS**SBendtrans-87.975.3176.1-52.9-56.3000108.4
9T96.8Very high94.6Very high99 Ų99132.4 Ų132.461%0.60763%0.628SS**SBendtrans-132.9165.817755.10000109.9Q7 I11Q7-T9 VanDerWaalsContact C-N 3.29Å; Q7-T9 HydrophobicContact CB-CG2 4.38Å; Q7-T9 PolarHBondContact O-N 3.22Å; Q7-T9 VanDerWaalsContact O-N 3.13Å; T9-I11 PolarHBondContact O-N 2.98Å
10R97.4Very high94.7Very high205 Ų205127.6 Ų127.677%0.77461%0.607SS**  trans-62.8123.7178.8-178.7178.3-72.5168.6-2.3110M12R10-M12 HydrophobicContact CG-SD 4.39Å; R10-M12 PolarHBondContact O-N 3.28Å
11I97.9Very high94.9Very high50 Ų50123.7 Ų123.726%0.25659%0.588SS.*  trans-71.7112.3173.1-58.7173.2000108.3T9 N16 R17 T20T9-I11 PolarHBondContact O-N 2.98Å; I11-N16 HydrophobicContact CG2-CB 4.03Å; I11-R17 HydrophobicContact CB-CB 4.03Å; I11-R17 HydrophobicContact CB-CG 4.36Å; I11-R17 HydrophobicContact CG2-CB 4.03Å; I11-R17 WeakPolarHBondContact O-CD 3.27Å; I11-R17 PolarHBondContact O-NH1 3Å; I11-T20 HydrophobicContact CD1-CG2 3.72Å
12M97.8Very high96.2Very high155 Ų155115.4 Ų115.476%0.76455%0.551SS**  trans-71-42.2-175.2-61.2-54.7-67.700112.6R10 E14 R17R10-M12 HydrophobicContact CG-SD 4.39Å; R10-M12 PolarHBondContact O-N 3.28Å; M12-E14 PolarHBondContact O-N 3.18Å; M12-R17 PolarHBondContact O-NH1 3.42Å
13D97.6Very high96.9Very high79 Ų79120 Ų12042%0.42255%0.554SS.*SBendtrans-67.6123.8176.6171.657.3000112R15 N16 R17D13-R15 PolarHBondContact O-N 3.15Å; D13-N16 HydrophobicContact CB-CB 4.34Å; D13-N16 WeakPolarHBondContact OD2-CB 3.47Å; D13-N16 PolarHBondContact OD2-N 2.86Å; D13-N16 PolarHBondContact OD2-ND2 3.46Å; D13-R17 VanDerWaalsContact O-CB 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 PolarHBondContact O-N 3.15Å
14E97.9Very high97.1Very high104 Ų104113.7 Ų113.749%0.48653%0.53SS..Hα-helixtrans-60.1-45.7-176.1-165.665.3-116.500112.2M12 R17 Q18M12-E14 PolarHBondContact O-N 3.18Å; E14-R17 PolarHBondContact O-N 3.23Å; E14-R17 IonicContact OE1-CZ 3.18Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 2.75Å; E14-R17 PolarHBondContact OE1-NH2 2.76Å; E14-R17 IonicContact OE2-CZ 3.63Å; E14-R17 IonicContact OE2-NH1 2.73Å; E14-R17 IonicContact OE2-NH2 2.8Å; E14-R17 PolarHBondContact OE2-NH2 2.98Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.37Å
15R98.1Very high97.3Very high204 Ų204107.3 Ų107.377%0.7750%0.502SS*.Hα-helixtrans-65.6-48.5-174.7-174.6179.9-69.3-177.4-1.1110.6D13 R17 Q18 V19D13-R15 PolarHBondContact O-N 3.15Å; R15-R17 VanDerWaalsContact C-N 3.32Å; R15-R17 PolarHBondContact O-N 3.14Å; R15-Q18 PolarHBondContact O-N 3.03Å; R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.1Å
16N97.6Very high97.5Very high97 Ų97106.7 Ų106.752%0.51950%0.5SS..Hα-helixtrans-65.6-34.6175-75.7-57000112.2I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.03Å; D13-N16 HydrophobicContact CB-CB 4.34Å; D13-N16 WeakPolarHBondContact OD2-CB 3.47Å; D13-N16 PolarHBondContact OD2-N 2.86Å; D13-N16 PolarHBondContact OD2-ND2 3.46Å; N16-T20 WeakPolarHBondContact O-CB 3.33Å; N16-T20 PolarHBondContact O-N 3Å; N16-T20 PolarHBondContact O-OG1 3.32Å
17R98.2Very high97.7Very high57 Ų57104.1 Ų104.122%0.21550%0.496CS..Hα-helixtrans-63.9-47.9174.5-173.4167.666.5-113.17.4111.3I11 M12 D13 E14 R15 T20 F21I11-R17 HydrophobicContact CB-CB 4.03Å; I11-R17 HydrophobicContact CB-CG 4.36Å; I11-R17 HydrophobicContact CG2-CB 4.03Å; I11-R17 WeakPolarHBondContact O-CD 3.27Å; I11-R17 PolarHBondContact O-NH1 3Å; M12-R17 PolarHBondContact O-NH1 3.42Å; D13-R17 VanDerWaalsContact O-CB 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 PolarHBondContact O-N 3.15Å; E14-R17 PolarHBondContact O-N 3.23Å; E14-R17 IonicContact OE1-CZ 3.18Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 2.75Å; E14-R17 PolarHBondContact OE1-NH2 2.76Å; E14-R17 IonicContact OE2-CZ 3.63Å; E14-R17 IonicContact OE2-NH1 2.73Å; E14-R17 IonicContact OE2-NH2 2.8Å; E14-R17 PolarHBondContact OE2-NH2 2.98Å; R15-R17 VanDerWaalsContact C-N 3.32Å; R15-R17 PolarHBondContact O-N 3.14Å; R17-T20 PolarHBondContact O-N 3.27Å; R17-F21 VanDerWaalsContact O-CB 3.28Å; R17-F21 WeakPolarHBondContact O-CB 3.32Å; R17-F21 PolarHBondContact O-N 3.28Å
18Q98.1Very high97.9Very high89 Ų89100.9 Ų100.942%0.41648%0.483SS..Hα-helixtrans-65.4-41.7179.5-178.758.115.300112.7E14 R15 T22E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.37Å; R15-Q18 PolarHBondContact O-N 3.03Å; Q18-T22 WeakPolarHBondContact O-CB 3.44Å; Q18-T22 PolarHBondContact O-N 3.43Å; Q18-T22 PolarHBondContact O-OG1 3.43Å
19V98Very high98Very high80 Ų8095.3 Ų95.349%0.48545%0.454SS..Hα-helixtrans-63-42.9173.8171.10000111R15 K23R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.1Å; V19-K23 HydrophobicContact CG1-CD 4.18Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.45Å; V19-K23 VanDerWaalsContact O-N 3.16Å
20T97.7Very high98.1Very high35 Ų3595.8 Ų95.822%0.21545%0.448CS..Hα-helixtrans-68.4-43.2178.9-590000111.7I11 N16 R17 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.72Å; N16-T20 WeakPolarHBondContact O-CB 3.33Å; N16-T20 PolarHBondContact O-N 3Å; N16-T20 PolarHBondContact O-OG1 3.32Å; R17-T20 PolarHBondContact O-N 3.27Å; T20-K23 PolarHBondContact O-N 2.87Å; T20-R24 HydrophobicContact CG2-CG 4.06Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.46Å; T20-R24 PolarHBondContact O-N 2.99Å
21F98.6Very high98.2Very high46 Ų4692.4 Ų92.420%0.20244%0.438CS..Hα-helixtrans-57.1-52.1175.3175.6-99.8000110.7R17 K23 R24 K25 I47 N49 F55R17-F21 VanDerWaalsContact O-CB 3.28Å; R17-F21 WeakPolarHBondContact O-CB 3.32Å; R17-F21 PolarHBondContact O-N 3.28Å; F21-K23 VanDerWaalsContact C-N 3.34Å; F21-K23 PolarHBondContact O-N 3.47Å; F21-R24 PolarHBondContact O-N 2.95Å; F21-K25 HydrophobicContact CE1-CD 3.99Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.27Å; F21-I47 HydrophobicContact CE2-CG2 3.8Å; F21-I47 HydrophobicContact CZ-CG2 3.97Å; F21-N49 HydrophobicContact CE1-CB 4.07Å; F21-N49 HydrophobicContact CE2-CB 3.98Å; F21-N49 HydrophobicContact CZ-CB 3.67Å; F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.63Å; F21-F55 HydrophobicContact CE1-CE2 3.63Å; F21-F55 AromaticContact CE1-CZ 3.95Å; F21-F55 HydrophobicContact CE1-CZ 3.95Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.78Å; F21-F55 HydrophobicContact CZ-CE2 3.78Å
22T98.1Very high98.2Very high69 Ų6990.6 Ų90.642%0.42343%0.431SS..Hα-helixtrans-56-47.6180-55.40000111.6Q18 F26Q18-T22 WeakPolarHBondContact O-CB 3.44Å; Q18-T22 PolarHBondContact O-N 3.43Å; Q18-T22 PolarHBondContact O-OG1 3.43Å; T22-F26 PolarHBondContact O-N 3.28Å
23K97.7Very high98.3Very high155 Ų15589.5 Ų89.567%0.67442%0.419SS*.Hα-helixtrans-69.4-42.1-180-68.9178.967.3170.10113.2V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 4.18Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.45Å; V19-K23 VanDerWaalsContact O-N 3.16Å; T20-K23 PolarHBondContact O-N 2.87Å; F21-K23 VanDerWaalsContact C-N 3.34Å; F21-K23 PolarHBondContact O-N 3.47Å; K23-G27 PolarHBondContact O-N 3.01Å
24R98.3Very high98.3Very high136 Ų13688.1 Ų88.151%0.51341%0.41SS..Hα-helixtrans-70.9-39.7179.3-74.7-171.9174.9-155.1-4.4112T20 F21 F26 G27 L28T20-R24 HydrophobicContact CG2-CG 4.06Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.46Å; T20-R24 PolarHBondContact O-N 2.99Å; F21-R24 PolarHBondContact O-N 2.95Å; R24-F26 PolarHBondContact O-N 3.22Å; R24-G27 PolarHBondContact O-N 3.39Å; R24-L28 WeakPolarHBondContact O-CB 3.49Å; R24-L28 PolarHBondContact O-N 3.23Å
25K98.6Very high98.4Very high44 Ų4487.4 Ų87.419%0.19141%0.41CS..Hα-helixtrans-56.4-49.6174.5-173.3-172.974.869.40111F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 3.99Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.27Å; K25-L28 PolarHBondContact O-N 3.01Å; K25-M29 HydrophobicContact CD-CE 4.23Å; K25-M29 HydrophobicContact CD-SD 4.49Å; K25-M29 HydrophobicContact CG-CE 3.99Å; K25-M29 HydrophobicContact CG-SD 3.97Å; K25-M29 PolarHBondContact NZ-SD 2.66Å; K25-M29 VanDerWaalsContact NZ-SD 3.41Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.44Å; K25-M29 PolarHBondContact O-N 2.94Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.37Å; K25-F55 HydrophobicContact CD-CE1 4.49Å; K25-F55 HydrophobicContact CD-CG 3.76Å
26F98.4Very high98.4Very high146 Ų14678.2 Ų78.264%0.6438%0.377SS*.Hα-helixtrans-63.2-42.5176.2-175.9-97.5000112.3T22 R24 L28 M29 K30T22-F26 PolarHBondContact O-N 3.28Å; R24-F26 PolarHBondContact O-N 3.22Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.02Å; F26-M29 PolarHBondContact O-N 3.24Å; F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 PolarHBondContact O-N 3.34Å
27G98.5Very high98.4Very high35 Ų3578 Ų7836%0.36138%0.378SS..Hα-helixtrans-61.8-37.8175.600000113.9K23 R24 K31K23-G27 PolarHBondContact O-N 3.01Å; R24-G27 PolarHBondContact O-N 3.39Å; G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 3.48Å
28L98.7Very high98.4Very high89 Ų8982.1 Ų82.147%0.46640%0.404SS..Hα-helixtrans-69.5-46.4176.4-177.861.8000111.5R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.49Å; R24-L28 PolarHBondContact O-N 3.23Å; K25-L28 PolarHBondContact O-N 3.01Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.02Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; L28-K31 PolarHBondContact O-N 2.88Å; L28-K31 VanDerWaalsContact O-N 3.09Å; L28-A32 PolarHBondContact O-N 2.81Å; L28-L45 HydrophobicContact CD2-CD1 4.14Å; L28-L45 HydrophobicContact CD2-CD2 3.9Å; L28-L45 HydrophobicContact CG-CD2 3.82Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å
29M98.6Very high98.5Very high28 Ų2881.8 Ų81.814%0.13841%0.41CS..Hα-helixtrans-58.9-42.3174.1-71.5167.4163.100111.5K25 F26 K31 A32 Y33 L45 F55 Q56 Y57K25-M29 HydrophobicContact CD-CE 4.23Å; K25-M29 HydrophobicContact CD-SD 4.49Å; K25-M29 HydrophobicContact CG-CE 3.99Å; K25-M29 HydrophobicContact CG-SD 3.97Å; K25-M29 PolarHBondContact NZ-SD 2.66Å; K25-M29 VanDerWaalsContact NZ-SD 3.41Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.44Å; K25-M29 PolarHBondContact O-N 2.94Å; F26-M29 PolarHBondContact O-N 3.24Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.39Å; M29-A32 PolarHBondContact O-N 2.95Å; M29-Y33 PolarHBondContact O-N 2.96Å; M29-L45 HydrophobicContact CG-CD2 4.26Å; M29-F55 HydrophobicContact CE-CB 4.49Å; M29-Q56 WeakPolarHBondContact CE-O 3.31Å; M29-Y57 HydrophobicContact CG-CG 4.4Å
30K98.7Very high98.5Very high108 Ų10885.5 Ų85.547%0.4743%0.428SS..Hα-helixtrans-62.2-39.4173.9-169.6-177-174.6-138.80112.2F26 L28 Y33 E34F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 PolarHBondContact O-N 3.34Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; K30-Y33 PolarHBondContact O-N 3.43Å; K30-E34 WeakPolarHBondContact CE-OE1 3.46Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 IonicContact NZ-OE1 2.65Å; K30-E34 PolarHBondContact NZ-OE1 2.83Å; K30-E34 WeakPolarHBondContact O-CB 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.27Å; K30-E34 PolarHBondContact O-N 2.95Å
31K98.8Very high98.5Very high134 Ų13486.1 Ų86.158%0.58343%0.433SS*.Hα-helixtrans-69.3-36.7177.7-80.7-73.8163.9-156.60112.9G27 L28 M29 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 3.48Å; L28-K31 PolarHBondContact O-N 2.88Å; L28-K31 VanDerWaalsContact O-N 3.09Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.39Å; K31-E34 VanDerWaalsContact CE-OE2 3.28Å; K31-E34 WeakPolarHBondContact CE-OE2 3.26Å; K31-E34 IonicContact NZ-OE2 3.34Å; K31-E34 PolarHBondContact NZ-OE2 2.81Å; K31-L35 WeakPolarHBondContact O-CB 3.1Å; K31-L35 PolarHBondContact O-N 3.17Å
32A98.7Very high98.5Very high12 Ų1287.8 Ų87.810%0.09944%0.441CS..Hα-helixtrans-62.5-46.517100000111.1L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 2.81Å; M29-A32 PolarHBondContact O-N 2.95Å; A32-L35 PolarHBondContact O-N 3.04Å; A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.35Å; A32-S36 VanDerWaalsContact O-OG 3.12Å; A32-I43 HydrophobicContact CB-CG2 4.15Å; A32-I43 WeakPolarHBondContact O-CD1 3.37Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.54Å
33Y98.7Very high98.5Very high132 Ų13286.2 Ų86.252%0.51843%0.43SS..Hα-helixtrans-58.2-48.8173.8169.4-95.5000113.3M29 K30 L35 S36 V37 Y57M29-Y33 PolarHBondContact O-N 2.96Å; K30-Y33 PolarHBondContact O-N 3.43Å; Y33-L35 VanDerWaalsContact C-N 3.28Å; Y33-L35 PolarHBondContact O-N 3.38Å; Y33-S36 WeakPolarHBondContact CA-OG 3.43Å; Y33-S36 PolarHBondContact O-N 3.21Å; Y33-S36 PolarHBondContact O-OG 3.14Å; Y33-V37 HydrophobicContact CD2-CG2 4.13Å; Y33-V37 HydrophobicContact CE1-CG2 4.48Å; Y33-V37 HydrophobicContact CE2-CG2 3.73Å; Y33-V37 WeakPolarHBondContact O-CG2 3.39Å; Y33-V37 PolarHBondContact O-N 2.75Å; Y33-V37 VanDerWaalsContact O-N 3.09Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.23Å; Y33-Y57 PolarHBondContact N-OH 2.99Å
34E98.8Very high98.6Very high50 Ų5080.7 Ų80.723%0.23441%0.413CS..Hα-helixtrans-58.1-41.6176.5-75.1171.5-174.700110.8K30 K31 L38K30-E34 WeakPolarHBondContact CE-OE1 3.46Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 IonicContact NZ-OE1 2.65Å; K30-E34 PolarHBondContact NZ-OE1 2.83Å; K30-E34 WeakPolarHBondContact O-CB 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.27Å; K30-E34 PolarHBondContact O-N 2.95Å; K31-E34 VanDerWaalsContact CE-OE2 3.28Å; K31-E34 WeakPolarHBondContact CE-OE2 3.26Å; K31-E34 IonicContact NZ-OE2 3.34Å; K31-E34 PolarHBondContact NZ-OE2 2.81Å; E34-L38 VanDerWaalsContact O-CB 3.26Å; E34-L38 WeakPolarHBondContact O-CB 3.35Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.26Å; E34-L38 PolarHBondContact O-N 3.04Å; E34-L38 VanDerWaalsContact O-N 3.07Å
35L98.8Very high98.6Very high90 Ų9075.9 Ų75.947%0.47140%0.398SS..Hα-helixtrans-68.6-47.1178.4-175.761.2000112.8K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.1Å; K31-L35 PolarHBondContact O-N 3.17Å; A32-L35 PolarHBondContact O-N 3.04Å; Y33-L35 VanDerWaalsContact C-N 3.28Å; Y33-L35 PolarHBondContact O-N 3.38Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 2.72Å; L35-L38 PolarHBondContact O-N 3.23Å; L35-C39 HydrophobicContact CD1-CB 4.48Å; L35-C39 WeakPolarHBondContact O-CB 3.44Å; L35-C39 PolarHBondContact O-N 2.59Å; L35-I43 HydrophobicContact CB-CD1 3.97Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.95Å
36S98.6Very high98.6Very high11 Ų1178 Ų788%0.07741%0.41CS..Hα-helixtrans-60.9-37.7179.851.20000112.7A32 Y33 D40 C41 Y57 S59A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.35Å; A32-S36 VanDerWaalsContact O-OG 3.12Å; Y33-S36 WeakPolarHBondContact CA-OG 3.43Å; Y33-S36 PolarHBondContact O-N 3.21Å; Y33-S36 PolarHBondContact O-OG 3.14Å; S36-D40 WeakPolarHBondContact O-CA 3.46Å; S36-D40 PolarHBondContact O-N 2.75Å; S36-D40 VanDerWaalsContact O-N 3.14Å; S36-C41 WeakPolarHBondContact CA-O 3.34Å; S36-C41 WeakPolarHBondContact CB-O 3.31Å; S36-C41 PolarHBondContact O-N 3.48Å; S36-Y57 PolarHBondContact OG-OH 3.07Å; S36-S59 VanDerWaalsContact CB-CB 3.47Å; S36-S59 WeakPolarHBondContact OG-CB 3.46Å
37V98.6Very high98.6Very high92 Ų9272.2 Ų72.256%0.55839%0.386SS*.Hα-helixtrans-77.5-37.4179.5174.30000112.1Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.13Å; Y33-V37 HydrophobicContact CE1-CG2 4.48Å; Y33-V37 HydrophobicContact CE2-CG2 3.73Å; Y33-V37 WeakPolarHBondContact O-CG2 3.39Å; Y33-V37 PolarHBondContact O-N 2.75Å; Y33-V37 VanDerWaalsContact O-N 3.09Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 2.72Å
38L98.7Very high98.6Very high143 Ų14376.7 Ų76.775%0.74940%0.395SS*.Hα-helixtrans-76.5-26.1-178-72.7171.5000113.7E34 L35E34-L38 VanDerWaalsContact O-CB 3.26Å; E34-L38 WeakPolarHBondContact O-CB 3.35Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.26Å; E34-L38 PolarHBondContact O-N 3.04Å; E34-L38 VanDerWaalsContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.23Å
39C98.5Very high98.5Very high82 Ų8273.4 Ų73.455%0.55438%0.378SS*.Hα-helixtrans-120.58.1-173.4-61.20000114L35 C41L35-C39 HydrophobicContact CD1-CB 4.48Å; L35-C39 WeakPolarHBondContact O-CB 3.44Å; L35-C39 PolarHBondContact O-N 2.59Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.49Å
40D98.5Very high98.4Very high159 Ų15976 Ų7685%0.8540%0.399SS*.THydrogen-bonded Turntrans47.952.3-177.6-163.730.2000113S36S36-D40 WeakPolarHBondContact O-CA 3.46Å; S36-D40 PolarHBondContact O-N 2.75Å; S36-D40 VanDerWaalsContact O-N 3.14Å
41C97.9Very high98.4Very high47 Ų4775.4 Ų75.432%0.31840%0.404SS..  trans-124.6144.5-173.567.30000113.9S36 C39 S59S36-C41 WeakPolarHBondContact CA-O 3.34Å; S36-C41 WeakPolarHBondContact CB-O 3.31Å; S36-C41 PolarHBondContact O-N 3.48Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.49Å; C41-S59 PolarHBondContact O-OG 3.34Å
42E98.4Very high98.3Very high82 Ų8275.4 Ų75.438%0.38341%0.411SS..  trans-84127.8177.3-64-169.7106.500110.8S59 T60 V65 K68E42-S59 WeakPolarHBondContact CA-OG 3.45Å; E42-T60 HydrophobicContact CG-CG2 4.23Å; E42-T60 PolarHBondContact OE1-OG1 2.96Å; E42-V65 HydrophobicContact CB-CG2 4.13Å; E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 2.97Å
43I98.5Very high98.3Very high35 Ų3580.9 Ų80.918%0.17943%0.432CS..  trans-133.3124-176.6-58.4176000108.7A32 L35 A58 S59A32-I43 HydrophobicContact CB-CG2 4.15Å; A32-I43 WeakPolarHBondContact O-CD1 3.37Å; L35-I43 HydrophobicContact CB-CD1 3.97Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.95Å; I43-A58 CarbonylContact O-C 3.54Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.14Å; I43-S59 PolarHBondContact N-OG 2.96Å; I43-S59 PolarHBondContact O-N 3.05Å
44A98.6Very high98.3Very high39 Ų3978.1 Ų78.132%0.32243%0.426SS..EExtended strand (participates in β ladder)trans-107.5140.9164.900000110.2M62 V65A44-M62 HydrophobicContact CB-SD 3.81Å; A44-V65 HydrophobicContact CB-CB 4.06Å; A44-V65 HydrophobicContact CB-CG1 3.56Å
45L98.7Very high98.3Very high36 Ų3678 Ų7819%0.18843%0.425CS..EExtended strand (participates in β ladder)trans-138.1117.1179.9175.463.1000109.7L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.14Å; L28-L45 HydrophobicContact CD2-CD2 3.9Å; L28-L45 HydrophobicContact CG-CD2 3.82Å; M29-L45 HydrophobicContact CG-CD2 4.26Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.08Å; L45-I47 HydrophobicContact CG-CD1 4.11Å; L45-I47 HydrophobicContact CG-CG1 4.1Å; L45-Q56 CarbonylContact O-C 3.57Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.38Å; L45-Y57 HydrophobicContact CB-CD1 4.31Å; L45-Y57 PolarHBondContact N-O 3.24Å; L45-Y57 PolarHBondContact O-N 2.88Å
46I98.7Very high98.3Very high87 Ų8778.8 Ų78.845%0.44643%0.426SS..EExtended strand (participates in β ladder)trans-112.7129.4178.6-64.6175000108.7F48 L54 L66I46-F48 HydrophobicContact CG2-CD2 4.18Å; I46-F48 HydrophobicContact CG2-CE2 3.75Å; I46-L54 HydrophobicContact CG2-CD1 3.84Å; I46-L66 HydrophobicContact CD1-CD2 4.21Å
47I98.7Very high98.3Very high26 Ų2680.3 Ų80.313%0.13343%0.431CS..EExtended strand (participates in β ladder)trans-134116.3-178.5-55.3171.2000109.5F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.8Å; F21-I47 HydrophobicContact CZ-CG2 3.97Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.08Å; L45-I47 HydrophobicContact CG-CD1 4.11Å; L45-I47 HydrophobicContact CG-CG1 4.1Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.12Å; I47-F55 PolarHBondContact O-N 3.44Å
48F98.7Very high98.3Very high129 Ų12977 Ų7757%0.56641%0.414SS*.EExtended strand (participates in β ladder)trans-94.8132.4162.3-67.4-84.2000109.5I46 L54I46-F48 HydrophobicContact CG2-CD2 4.18Å; I46-F48 HydrophobicContact CG2-CE2 3.75Å; F48-L54 HydrophobicContact CD1-CB 4.3Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.05Å; F48-L54 HydrophobicContact CE1-CG 4.47Å; F48-L54 HydrophobicContact CE2-CD1 4.22Å; F48-L54 HydrophobicContact CZ-CD1 3.88Å
49N97.3Very high98.3Very high19 Ų1972.1 Ų72.110%0.10239%0.391CS..  trans-84.3-179.4172.380.1-18.2000111.4F21 T51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.07Å; F21-N49 HydrophobicContact CE2-CB 3.98Å; F21-N49 HydrophobicContact CZ-CB 3.67Å; N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.09Å; N49-T51 VanDerWaalsContact OD1-C 3.29Å; N49-T51 WeakPolarHBondContact OD1-CA 3.13Å; N49-T51 PolarHBondContact OD1-N 3.35Å; N49-T51 PolarHBondContact OD1-OG1 3.4Å; N49-N52 PolarHBondContact O-N 3.37Å; N49-N52 PolarHBondContact OD1-N 3.41Å; N49-N52 VanDerWaalsContact OD1-N 3.17Å; N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 2.96Å; N49-F55 HydrophobicContact CB-CE2 4.15Å
50S96.4Very high98.2Very high83 Ų8371.9 Ų71.958%0.5839%0.387SS*.THydrogen-bonded Turntrans-66-3.517755.30000115.5
51T97Very high98.2Very high95 Ų9567.5 Ų67.558%0.58336%0.364SS*.THydrogen-bonded Turntrans-114.320.6174.1720000111.5N49 K53N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.09Å; N49-T51 VanDerWaalsContact OD1-C 3.29Å; N49-T51 WeakPolarHBondContact OD1-CA 3.13Å; N49-T51 PolarHBondContact OD1-N 3.35Å; N49-T51 PolarHBondContact OD1-OG1 3.4Å; T51-K53 PolarHBondContact O-N 3.41Å
52N97.9Very high98.2Very high135 Ų13566.1 Ų66.172%0.72235%0.353SS*.  trans54.520.8-177.6-57.8-24.9000115.3N49 L54N49-N52 PolarHBondContact O-N 3.37Å; N49-N52 PolarHBondContact OD1-N 3.41Å; N49-N52 VanDerWaalsContact OD1-N 3.17Å; N52-L54 PolarHBondContact O-N 2.89Å
53K98.4Very high98.2Very high126 Ų12668 Ų6855%0.54837%0.365SS..  trans-77.4123171.7-177.8167.4-180165.80109.4N49 T51 F55N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 2.96Å; T51-K53 PolarHBondContact O-N 3.41Å; K53-F55 HydrophobicContact CB-CE2 4.05Å; K53-F55 HydrophobicContact CD-CE2 4.19Å; K53-F55 HydrophobicContact CD-CZ 3.81Å; K53-F55 HydrophobicContact CG-CD2 4.5Å; K53-F55 HydrophobicContact CG-CE2 3.81Å; K53-F55 HydrophobicContact CG-CZ 3.93Å; K53-F55 WeakPolarHBondContact O-CD2 3.49Å; K53-F55 WeakPolarHBondContact O-CE2 3.43Å
54L98.6Very high98.2Very high75 Ų7572.7 Ų72.739%0.39339%0.385SS..EExtended strand (participates in β ladder)trans-71.1138.2174.7178.160.3000111.5I46 F48 N52I46-L54 HydrophobicContact CG2-CD1 3.84Å; F48-L54 HydrophobicContact CD1-CB 4.3Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.05Å; F48-L54 HydrophobicContact CE1-CG 4.47Å; F48-L54 HydrophobicContact CE2-CD1 4.22Å; F48-L54 HydrophobicContact CZ-CD1 3.88Å; N52-L54 PolarHBondContact O-N 2.89Å
55F98.7Very high98.2Very high47 Ų4771.8 Ų71.821%0.20638%0.375CS..EExtended strand (participates in β ladder)trans-136.4132.8163.4-56.4-96.9000107.8F21 K25 M29 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.63Å; F21-F55 HydrophobicContact CE1-CE2 3.63Å; F21-F55 AromaticContact CE1-CZ 3.95Å; F21-F55 HydrophobicContact CE1-CZ 3.95Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.78Å; F21-F55 HydrophobicContact CZ-CE2 3.78Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.37Å; K25-F55 HydrophobicContact CD-CE1 4.49Å; K25-F55 HydrophobicContact CD-CG 3.76Å; M29-F55 HydrophobicContact CE-CB 4.49Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.12Å; I47-F55 PolarHBondContact O-N 3.44Å; N49-F55 HydrophobicContact CB-CE2 4.15Å; K53-F55 HydrophobicContact CB-CE2 4.05Å; K53-F55 HydrophobicContact CD-CE2 4.19Å; K53-F55 HydrophobicContact CD-CZ 3.81Å; K53-F55 HydrophobicContact CG-CD2 4.5Å; K53-F55 HydrophobicContact CG-CE2 3.81Å; K53-F55 HydrophobicContact CG-CZ 3.93Å; K53-F55 WeakPolarHBondContact O-CD2 3.49Å; K53-F55 WeakPolarHBondContact O-CE2 3.43Å
56Q98.5Very high98.2Very high106 Ų10673.1 Ų73.150%0.49538%0.382SS..EExtended strand (participates in β ladder)trans-130.6159.3-176.980.2-166.854.300112.5M29 L45 M62M29-Q56 WeakPolarHBondContact CE-O 3.31Å; L45-Q56 CarbonylContact O-C 3.57Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.38Å; Q56-M62 HydrophobicContact CB-CE 3.67Å; Q56-M62 HydrophobicContact CG-CE 3.82Å
57Y98.8Very high98.2Very high43 Ų4373.5 Ų73.517%0.16938%0.384CS..EExtended strand (participates in β ladder)trans-146.3137.5169.1163.5-90.7000108.3M29 A32 Y33 S36 L45 M62M29-Y57 HydrophobicContact CG-CG 4.4Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.54Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.23Å; Y33-Y57 PolarHBondContact N-OH 2.99Å; S36-Y57 PolarHBondContact OG-OH 3.07Å; L45-Y57 HydrophobicContact CB-CD1 4.31Å; L45-Y57 PolarHBondContact N-O 3.24Å; L45-Y57 PolarHBondContact O-N 2.88Å; Y57-M62 WeakPolarHBondContact O-CE 3.46Å
58A98.7Very high98.1Very high24 Ų2477.6 Ų77.620%0.19840%0.401CS..EExtended strand (participates in β ladder)trans-127.7148.2163.700000108.4I43 T60 M62I43-A58 CarbonylContact O-C 3.54Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.14Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 WeakPolarHBondContact CB-O 3.35Å; A58-M62 HydrophobicContact CB-CB 4.27Å; A58-M62 HydrophobicContact CB-CE 3.93Å; A58-M62 HydrophobicContact CB-SD 4.41Å
59S98.4Very high98.1Very high39 Ų3979.1 Ų79.127%0.27340%0.404SS..SBendtrans-74.1-28.616957.60000112.3S36 C41 E42 I43S36-S59 VanDerWaalsContact CB-CB 3.47Å; S36-S59 WeakPolarHBondContact OG-CB 3.46Å; C41-S59 PolarHBondContact O-OG 3.34Å; E42-S59 WeakPolarHBondContact CA-OG 3.45Å; I43-S59 PolarHBondContact N-OG 2.96Å; I43-S59 PolarHBondContact O-N 3.05Å
60T97.6Very high98.1Very high77 Ų7783 Ų8347%0.47243%0.429SS..SBendtrans-120.6-132.1174.159.60000109.5E42 A58E42-T60 HydrophobicContact CG-CG2 4.23Å; E42-T60 PolarHBondContact OE1-OG1 2.96Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 WeakPolarHBondContact CB-O 3.35Å
61D98Very high98.2Very high67 Ų6785 Ų8536%0.35843%0.429SS..  trans-92.3129.6178-176.6-57.9000109.2D63 K64 V65D61-D63 VanDerWaalsContact C-N 3.35Å; D61-D63 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact OD1-N 3.24Å; D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.69Å; D61-K64 HydrophobicContact CB-CG 3.77Å; D61-K64 PolarHBondContact O-N 3.38Å; D61-K64 PolarHBondContact OD1-N 3.04Å; D61-V65 WeakPolarHBondContact O-CG2 3.48Å; D61-V65 PolarHBondContact O-N 2.96Å
62M98.4Very high98.1Very high19 Ų1986.5 Ų86.59%0.09443%0.425CS..Hα-helixtrans-60.7-44.7-175.8-177.76569.300111.9A44 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-SD 3.81Å; Q56-M62 HydrophobicContact CB-CE 3.67Å; Q56-M62 HydrophobicContact CG-CE 3.82Å; Y57-M62 WeakPolarHBondContact O-CE 3.46Å; A58-M62 HydrophobicContact CB-CB 4.27Å; A58-M62 HydrophobicContact CB-CE 3.93Å; A58-M62 HydrophobicContact CB-SD 4.41Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.03Å; M62-V65 PolarHBondContact O-N 3.21Å; M62-L66 HydrophobicContact CG-CD1 3.88Å; M62-L66 HydrophobicContact CG-CG 4.35Å; M62-L66 WeakPolarHBondContact O-CG 3.38Å; M62-L66 PolarHBondContact O-N 3.29Å; M62-L66 HydrophobicContact SD-CD1 4.2Å; M62-L66 HydrophobicContact SD-CG 4.27Å
63D98.2Very high98Very high120 Ų12087.1 Ų87.164%0.64243%0.428SS*.Hα-helixtrans-71.7-32.7-172.6-60.7-32.8000110.3D61 L66 L67D61-D63 VanDerWaalsContact C-N 3.35Å; D61-D63 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact OD1-N 3.24Å; D63-L66 PolarHBondContact O-N 3.26Å; D63-L67 VanDerWaalsContact O-CB 3.27Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 3.01Å
64K98.3Very high97.9Very high135 Ų13587.2 Ų87.259%0.58743%0.431SS*.Hα-helixtrans-63.8-43.9172-62-176.5-162.5171.90112.7D61 M62 K68D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.69Å; D61-K64 HydrophobicContact CB-CG 3.77Å; D61-K64 PolarHBondContact O-N 3.38Å; D61-K64 PolarHBondContact OD1-N 3.04Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.03Å; K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.28Å; K64-K68 PolarHBondContact O-N 3.24Å
65V98.5Very high97.8Very high19 Ų1989.3 Ų89.312%0.11545%0.449CS..Hα-helixtrans-69.5-36.8179.2-178.50000111E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.13Å; A44-V65 HydrophobicContact CB-CB 4.06Å; A44-V65 HydrophobicContact CB-CG1 3.56Å; D61-V65 WeakPolarHBondContact O-CG2 3.48Å; D61-V65 PolarHBondContact O-N 2.96Å; M62-V65 PolarHBondContact O-N 3.21Å; V65-Y69 PolarHBondContact O-N 3.07Å
66L98.4Very high97.7Very high65 Ų6592.1 Ų92.134%0.3446%0.462SS..Hα-helixtrans-68.6-41.4175.2-68.4176.9000112.4I46 M62 D63 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.21Å; M62-L66 HydrophobicContact CG-CD1 3.88Å; M62-L66 HydrophobicContact CG-CG 4.35Å; M62-L66 WeakPolarHBondContact O-CG 3.38Å; M62-L66 PolarHBondContact O-N 3.29Å; M62-L66 HydrophobicContact SD-CD1 4.2Å; M62-L66 HydrophobicContact SD-CG 4.27Å; D63-L66 PolarHBondContact O-N 3.26Å; L66-Y69 WeakPolarHBondContact O-CB 3.24Å; L66-Y69 PolarHBondContact O-N 3.22Å; L66-T70 PolarHBondContact O-N 3.44Å; L66-T70 PolarHBondContact O-OG1 3.48Å
67L98.1Very high97.6Very high95 Ų9594 Ų9450%0.49747%0.471SS..Hα-helixtrans-59.8-49174.1-179.262.7000110.9D63 Y69 T70 E71D63-L67 VanDerWaalsContact O-CB 3.27Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 3.01Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.01Å; L67-T70 WeakPolarHBondContact CA-OG1 3.28Å; L67-T70 PolarHBondContact O-N 2.9Å; L67-T70 PolarHBondContact O-OG1 3.35Å; L67-E71 HydrophobicContact CD1-CG 4.41Å; L67-E71 WeakPolarHBondContact CD1-OE1 3.36Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.09Å
68K97.9Very high97.5Very high112 Ų11296.3 Ų96.349%0.48749%0.494SS..Hα-helixtrans-56.7-37.3175.3-171.2-175.5-169.3-1790112.6E42 K64 Y72E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 2.97Å; K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.28Å; K64-K68 PolarHBondContact O-N 3.24Å; K68-Y72 WeakPolarHBondContact O-CB 3.43Å; K68-Y72 PolarHBondContact O-N 3.42Å
69Y97.9Very high97.4Very high160 Ų160102.2 Ų102.263%0.62751%0.511SS*.Hα-helixtrans-66.7-43.1173.8172-104.4000112.2V65 L66 L67 E71 Y72V65-Y69 PolarHBondContact O-N 3.07Å; L66-Y69 WeakPolarHBondContact O-CB 3.24Å; L66-Y69 PolarHBondContact O-N 3.22Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.04Å; Y69-Y72 PolarHBondContact O-N 2.89Å
70T97.7Very high97.3Very high102 Ų102103.9 Ų103.963%0.62652%0.52SS*.Hα-helixtrans-69.9-23.7178.552.30000114.3L66 L67L66-T70 PolarHBondContact O-N 3.44Å; L66-T70 PolarHBondContact O-OG1 3.48Å; L67-T70 WeakPolarHBondContact CA-OG1 3.28Å; L67-T70 PolarHBondContact O-N 2.9Å; L67-T70 PolarHBondContact O-OG1 3.35Å
71E97.7Very high97.3Very high125 Ų125106.7 Ų106.758%0.58453%0.532SS*.THydrogen-bonded Turntrans-87-9.5176-67.9175.717500113L67 Y69 N73L67-E71 HydrophobicContact CD1-CG 4.41Å; L67-E71 WeakPolarHBondContact CD1-OE1 3.36Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.09Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.04Å; E71-N73 PolarHBondContact O-N 3.42Å; E71-N73 PolarHBondContact O-ND2 2.65Å
72Y96.5Very high97.2Very high125 Ų125107.2 Ų107.249%0.4954%0.54SS..  trans-83107-173.9-159.7-88.8000112.3K68 Y69 E74 H76K68-Y72 WeakPolarHBondContact O-CB 3.43Å; K68-Y72 PolarHBondContact O-N 3.42Å; Y69-Y72 PolarHBondContact O-N 2.89Å; Y72-E74 HydrophobicContact CD1-CB 4.38Å; Y72-E74 HydrophobicContact CE1-CB 3.65Å; Y72-E74 VanDerWaalsContact CE1-O 3.28Å; Y72-E74 WeakPolarHBondContact CE1-O 3.01Å; Y72-H76 AromaticContact CD1-ND1 3.92Å; Y72-H76 HydrophobicContact CE1-CB 4Å
73N95.2Very high97.1Very high148 Ų148109 Ų10979%0.79155%0.55SS**  trans-103.9-5-175.6-72.9-89.7000114.3E71E71-N73 PolarHBondContact O-N 3.42Å; E71-N73 PolarHBondContact O-ND2 2.65Å
74E96.1Very high96.9Very high128 Ų128107.5 Ų107.560%0.59854%0.542SS*.SBendtrans-81154.6-179.3-67.3-61.8148.300112.4Y72 H76Y72-E74 HydrophobicContact CD1-CB 4.38Å; Y72-E74 HydrophobicContact CE1-CB 3.65Å; Y72-E74 VanDerWaalsContact CE1-O 3.28Å; Y72-E74 WeakPolarHBondContact CE1-O 3.01Å; E74-H76 PolarHBondContact O-N 2.8Å; E74-H76 PolarHBondContact O-ND1 3.3Å
75P96.9Very high96.6Very high119 Ų119106.4 Ų106.477%0.77355%0.546SS*.  trans-56.1132.3171.2-23.934.4000111.8
76H95.4Very high96.2Very high106 Ų106113.2 Ų113.249%0.49158%0.576SS.*  trans-140.8158.3-176.754.6-88.2000111.8Y72 E74 S78Y72-H76 AromaticContact CD1-ND1 3.92Å; Y72-H76 HydrophobicContact CE1-CB 4Å; E74-H76 PolarHBondContact O-N 2.8Å; E74-H76 PolarHBondContact O-ND1 3.3Å; H76-S78 PolarHBondContact O-N 2.73Å
77E96.8Very high95.7Very high147 Ų147113.4 Ų113.469%0.68759%0.587SS**  trans-69.9114.8173-179.4169-162.800110R79E77-R79 HydrophobicContact CG-CG 4.06Å; E77-R79 IonicContact OE1-CZ 3.92Å; E77-R79 IonicContact OE1-NE 2.61Å; E77-R79 PolarHBondContact OE1-NE 2.83Å; E77-R79 IonicContact OE1-NH2 3.53Å; E77-R79 PolarHBondContact OE1-NH2 2.61Å
78S96.4Very high94.8Very high91 Ų91113.2 Ų113.264%0.63659%0.59SS**  trans-115.9133.6171.7-173.20000109.2H76H76-S78 PolarHBondContact O-N 2.73Å
79R96.5Very high93.8Very high147 Ų147112.6 Ų112.656%0.55560%0.597SS**  trans-134.8133-175.6-64.3-66.8-170.1163.52.6110.8E77E77-R79 HydrophobicContact CG-CG 4.06Å; E77-R79 IonicContact OE1-CZ 3.92Å; E77-R79 IonicContact OE1-NE 2.61Å; E77-R79 PolarHBondContact OE1-NE 2.83Å; E77-R79 IonicContact OE1-NH2 3.53Å; E77-R79 PolarHBondContact OE1-NH2 2.61Å
80T97.6Very high92.3Very high75 Ų75109.1 Ų109.146%0.4659%0.594SS.*  trans-106176.8170.978.10000110.8S82 D83 I84T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 PolarHBondContact OG1-N 3.1Å; T80-D83 WeakPolarHBondContact CA-OD2 3.42Å; T80-D83 VanDerWaalsContact CB-OD2 3.26Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 3.49Å; T80-D83 PolarHBondContact O-N 3.42Å; T80-D83 PolarHBondContact OG1-OD2 2.8Å; T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 3.03Å
81N96.2Very high90.5Very high136 Ų136108.8 Ų108.873%0.72759%0.594SS**Hα-helixtrans-61.2-29.1174-69.7-35.3000112.8V85N81-V85 VanDerWaalsContact O-CG2 3.31Å; N81-V85 WeakPolarHBondContact O-CG2 3.48Å; N81-V85 PolarHBondContact O-N 2.78Å; N81-V85 VanDerWaalsContact O-N 3.11Å
82S96Very high88.1Confident77 Ų77109.3 Ų109.354%0.53860%0.601SS.*Hα-helixtrans-67.3-49.3178.1-55.90000110.7T80 I84 V85 E86T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 PolarHBondContact OG1-N 3.1Å; S82-I84 PolarHBondContact O-N 3.44Å; S82-V85 PolarHBondContact O-N 3.33Å; S82-E86 PolarHBondContact O-N 3.16Å
83D96.1Very high86.2Confident57 Ų57111.7 Ų111.731%0.30561%0.614SS.*Hα-helixtrans-58.6-36.6178.3-49.5-86000112.2T80 A87T80-D83 WeakPolarHBondContact CA-OD2 3.42Å; T80-D83 VanDerWaalsContact CB-OD2 3.26Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 3.49Å; T80-D83 PolarHBondContact O-N 3.42Å; T80-D83 PolarHBondContact OG1-OD2 2.8Å; D83-A87 VanDerWaalsContact O-CB 3.23Å; D83-A87 WeakPolarHBondContact O-CB 3.2Å; D83-A87 PolarHBondContact O-N 2.86Å
84I95.1Very high83.9Confident89 Ų89113 Ų11346%0.45662%0.615SS.*Hα-helixtrans-70.7-38.2177.3-64.1167.2000111.2T80 S82 V88T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 3.03Å; S82-I84 PolarHBondContact O-N 3.44Å; I84-V88 HydrophobicContact CG2-CG2 4.45Å; I84-V88 WeakPolarHBondContact O-CB 3.28Å; I84-V88 VanDerWaalsContact O-CG2 3.24Å; I84-V88 WeakPolarHBondContact O-CG2 3.33Å; I84-V88 PolarHBondContact O-N 3.23Å; I84-V88 VanDerWaalsContact O-N 3.1Å
85V92.2Very high82Confident111 Ų111114.8 Ų114.867%0.67363%0.626SS**Hα-helixtrans-68.9-36.6178.1168.70000111.3N81 S82N81-V85 VanDerWaalsContact O-CG2 3.31Å; N81-V85 WeakPolarHBondContact O-CG2 3.48Å; N81-V85 PolarHBondContact O-N 2.78Å; N81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 3.33Å
86E89.8Confident79.8Confident163 Ų163114.5 Ų114.576%0.76262%0.624SS**Hα-helixtrans-71.9-37.8175.4-69177.1-165.300112.6S82 V88S82-E86 PolarHBondContact O-N 3.16Å; E86-V88 VanDerWaalsContact C-N 3.35Å
87A87.6Confident77.9Confident69 Ų69114.5 Ų114.557%0.5763%0.631SS**Hα-helixtrans-74-21.2178.300000114.1D83 P89D83-A87 VanDerWaalsContact O-CB 3.23Å; D83-A87 WeakPolarHBondContact O-CB 3.2Å; D83-A87 PolarHBondContact O-N 2.86Å; A87-P89 WeakPolarHBondContact O-CD 3.31Å
88V79.3Confident75.7Confident90 Ų90112.6 Ų112.655%0.54563%0.634SS.*SBendtrans-84.5114.3174.7170.20000108.8I84 E86I84-V88 HydrophobicContact CG2-CG2 4.45Å; I84-V88 WeakPolarHBondContact O-CB 3.28Å; I84-V88 VanDerWaalsContact O-CG2 3.24Å; I84-V88 WeakPolarHBondContact O-CG2 3.33Å; I84-V88 PolarHBondContact O-N 3.23Å; I84-V88 VanDerWaalsContact O-N 3.1Å; E86-V88 VanDerWaalsContact C-N 3.35Å
89P76.9Confident73.9Confident99 Ų99114.1 Ų114.164%0.64363%0.633SS**  trans-56.3139.2176.3-2333.6000110A87A87-P89 WeakPolarHBondContact O-CD 3.31Å
90P65.6Low71.7Confident88 Ų88112.6 Ų112.657%0.57164%0.643SS**  trans-54.3146.2170.825-33.8000108.6N92P90-N92 PolarHBondContact O-N 2.77Å
91P60.3Low69.3Low95 Ų95114.3 Ų114.362%0.61765%0.653SS**  trans-69.582.3178.129.9-34.9000109.3F93P91-F93 HydrophobicContact CB-CD2 4.21Å; P91-F93 HydrophobicContact CB-CE2 3.98Å; P91-F93 WeakPolarHBondContact O-CD2 3.17Å; P91-F93 PolarHBondContact O-N 2.98Å
92N48Very low66.7Low135 Ų135112.1 Ų112.172%0.72265%0.648SS**  trans-62100.7177.2-84.7-21.9000108.7P90 E94P90-N92 PolarHBondContact O-N 2.77Å; N92-E94 VanDerWaalsContact C-N 3.27Å
93F56.8Low64.2Low175 Ų175113.4 Ų113.477%0.76866%0.657SS**  trans-92.517173.5-82.8-72.8000112.3P91P91-F93 HydrophobicContact CB-CD2 4.21Å; P91-F93 HydrophobicContact CB-CE2 3.98Å; P91-F93 WeakPolarHBondContact O-CD2 3.17Å; P91-F93 PolarHBondContact O-N 2.98Å
94E46.9Very low61.4Low175 Ų175118.4 Ų118.482%0.81868%0.678SS**  trans-109.8100.8167.2-74.5-174.4126.600110N92 P96N92-E94 VanDerWaalsContact C-N 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.21Å
95M55Low58.8Low167 Ų167121.8 Ų121.882%0.82370%0.697SS**  trans-73.4114.7147.8-90.1-100.7-95.400106.6V97M95-V97 VanDerWaalsContact C-N 3.31Å; M95-V97 HydrophobicContact CB-CG2 4.44Å; M95-V97 PolarHBondContact O-N 2.73Å
96P52.4Low56.5Low112 Ų112121.1 Ų121.173%0.72770%0.698SS**  trans-69.195.4167.929-32.4000107.9E94 S98E94-P96 WeakPolarHBondContact O-CD 3.21Å; P96-S98 PolarHBondContact O-N 3.28Å
97V53.4Low54Low107 Ų107121.5 Ų121.565%0.64870%0.704SS**  trans-74.977.1169.8175.60000107.7M95 I99M95-V97 VanDerWaalsContact C-N 3.31Å; M95-V97 HydrophobicContact CB-CG2 4.44Å; M95-V97 PolarHBondContact O-N 2.73Å; V97-I99 VanDerWaalsContact C-N 3.27Å; V97-I99 HydrophobicContact CG1-CD1 3.84Å; V97-I99 HydrophobicContact CG1-CG1 3.77Å; V97-I99 PolarHBondContact O-N 2.92Å
98S52.7Low51.9Low106 Ų106125.1 Ų125.174%0.74172%0.719SS**  trans-75.181.2170.958.40000109.4P96 P100P96-S98 PolarHBondContact O-N 3.28Å; S98-P100 WeakPolarHBondContact O-CD 3.34Å
99I57Low50.1Low123 Ų123131.6 Ų131.663%0.63174%0.735SS**  trans-71.8120.6164.6-66.1159.2000107.1V97 V101V97-I99 VanDerWaalsContact C-N 3.27Å; V97-I99 HydrophobicContact CG1-CD1 3.84Å; V97-I99 HydrophobicContact CG1-CG1 3.77Å; V97-I99 PolarHBondContact O-N 2.92Å; I99-V101 HydrophobicContact CG2-CG2 4.05Å; I99-V101 PolarHBondContact O-N 2.84Å
100P50.4Low48.4Very low116 Ų116131.5 Ų131.575%0.75374%0.737SS**  trans-70.998.2169.429.3-32.1000108.7S98 S102S98-P100 WeakPolarHBondContact O-CD 3.34Å; P100-S102 PolarHBondContact O-N 3.23Å
101V48.5Very low47.5Very low110 Ų110134.4 Ų134.467%0.66775%0.747SS**  trans-78.189.3172.6175.30000108.8I99 S103I99-V101 HydrophobicContact CG2-CG2 4.05Å; I99-V101 PolarHBondContact O-N 2.84Å; V101-S103 WeakPolarHBondContact CG1-OG 3.37Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-S103 VanDerWaalsContact O-N 3.17Å
102S41.8Very low46.9Very low90 Ų90135.1 Ų135.163%0.62975%0.752SS**  trans-78.386.3163.956.70000109.3P100 H104P100-S102 PolarHBondContact O-N 3.23Å; S102-H104 PolarHBondContact O-CD2 3.39Å; S102-H104 PolarHBondContact O-NE2 2.9Å
103S42.6Very low46.6Very low104 Ų104134.8 Ų134.873%0.72775%0.754SS**  trans-94.3108.6172.1-710000110.6V101V101-S103 WeakPolarHBondContact CG1-OG 3.37Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-S103 VanDerWaalsContact O-N 3.17Å
104H37.8Very low45.9Very low163 Ų163131.6 Ų131.676%0.75575%0.754SS**  trans-88.7113.2177.4-35.2-96000109.9S102S102-H104 PolarHBondContact O-CD2 3.39Å; S102-H104 PolarHBondContact O-NE2 2.9Å
105N40.4Very low45.7Very low160 Ų160127.8 Ų127.886%0.85675%0.747SS**  trans-167.5164.5145.8-132.1-20.2000116.1
106S42.4Very low45.3Very low97 Ų97127.9 Ų127.968%0.67875%0.75SS**  trans6274.9164.869.50000119.7
107L38.8Very low44.8Very low170 Ų170126.1 Ų126.189%0.8975%0.751SS**  18.7116.4119.9-60.4168.8000118.8
108V43.3Very low44.4Very low146 Ų146128 Ų12889%0.88576%0.758SS**  trans-145.2139.3138.7-159.90000110
109Y40.5Very low44.2Very low225 Ų225128.4 Ų128.488%0.88276%0.758SS**  trans-51155.8169.1-89.1-125.9000112.6
110S41.5Very low43.4Very low97 Ų97129 Ų12968%0.67876%0.763SS**  cis-156-168.5-0.862.70000108
111N47.4Very low43.1Very low150 Ų150131.3 Ų131.380%0.80277%0.768SS**  cis-152174.77.5-13511.8000108.9
112P47.6Very low43Very low109 Ų109134.2 Ų134.271%0.70878%0.779SS**  trans-105.3164.9-162.440.1-37.1000115.9
113V40.8Very low43Very low128 Ų128135.6 Ų135.678%0.77679%0.786SS**  -178.2136.4121.863.80000112.5
114S43.8Very low42.9Very low109 Ų109138.9 Ų138.976%0.76279%0.794SS**  trans55147.1159.660.80000120.5
115S42.1Very low43.2Very low95 Ų95135.4 Ų135.466%0.66479%0.794SS**  cis-171.7144.1-6.6154.70000107.8
116L46.2Very low43.3Very low169 Ų169136.4 Ų136.489%0.88579%0.793SS**  trans16.3132.9159.3-61.692.5000119.2
117G42.5Very low43.4Very low74 Ų74137.5 Ų137.576%0.76380%0.798SS**  cis170.7171.48.200000111.1
118N43.9Very low43.6Very low148 Ų148134.9 Ų134.979%0.79179%0.793SS**  trans-51158.9179.8-121.923000113.6
119P48.9Very low43.5Very low113 Ų113136.3 Ų136.373%0.73480%0.795SS**  -149.9172.758.541.4-21.6000118.6
120N39.8Very low43.8Very low136 Ų136135.5 Ų135.573%0.72780%0.799SS**  trans-46.4142.9149.8-71.9-51.1000111.1
121L44.7Very low43.5Very low165 Ų165142 Ų14286%0.86481%0.809SS**  trans171.5128.9130.5-91.8160.1000108.9
122L47.1Very low43.3Very low171 Ų171142 Ų14290%0.89581%0.809SS**  trans-65.9144.7163.3-66167.2000108.4
123P42Very low42.9Very low119 Ų119141.2 Ų141.277%0.77381%0.806SS**  -142.4145.611234-19.2000115.9
124L38.5Very low43.3Very low172 Ų172142.2 Ų142.290%0.90180%0.804SS**  trans-35.6127.2160.1-172.874.7000115
125A44.9Very low43.3Very low91 Ų91142.6 Ų142.675%0.75281%0.807SS**  trans-154.4101.7163.200000113.3
126H43Very low43.3Very low181 Ų181144.3 Ų144.384%0.83882%0.815SS**  trans-84.8154.3139.1-69.2-176.3000106.1
127P44.9Very low43.3Very low120 Ų120140.1 Ų140.178%0.77981%0.814SS**  cis-152.7-172.946.842.3-21000116.3
128S42.8Very low43.5Very low114 Ų114142.9 Ų142.980%0.79782%0.815SS**  143.6135.6129.263.80000113.1
129L41Very low43.6Very low177 Ų177141.1 Ų141.193%0.92781%0.81SS**  trans-84.1134.4176.9-66.1161.4000109.2
130Q46.4Very low43.4Very low207 Ų207143.9 Ų143.997%0.96781%0.813SS**  trans-126.3136.3152.4-82.4-144.6-4000111.7
131R35.2Very low43.3Very low235 Ų235147.9 Ų147.989%0.88782%0.818SS**  trans-116.9127.7-173.9178.5-165.7-146.2-157.37.1107.2
132N43.7Very low44Very low148 Ų148145.3 Ų145.379%0.79181%0.811SS**  trans-169.7119155.1-93.9-7.5000105
133S38.1Very low44.1Very low93 Ų93142.4 Ų142.465%0.6580%0.802SS**  70.914456.1-161.50000113
134M49.2Very low44Very low149 Ų149142.6 Ų142.673%0.73481%0.807SS**  trans88.788.8-166.3-43.2-33.414100113
135S43.7Very low44.4Very low117 Ų117139.2 Ų139.282%0.81880%0.803SS**  74.8141.672.1-69.20000115.4
136P43.1Very low44.1Very low131 Ų131138.4 Ų138.485%0.85180%0.804SS**  trans-100.9147.1-143.337.1-34.7000115.8
137G45.2Very low44.2Very low82 Ų82137.4 Ų137.485%0.84580%0.804SS**  trans-112.4134.6177.300000113
138V47.4Very low44Very low131 Ų131138.4 Ų138.479%0.79481%0.809SS**  trans-85.7161.1-171.9-77.60000114.7
139T46Very low43.9Very low112 Ų112136.5 Ų136.569%0.68781%0.807SS**  trans111.3143.7144.573.30000122.1
140H44Very low43.9Very low171 Ų171131.3 Ų131.379%0.79280%0.796SS**  trans75.287.4152.8-66.1-53.9000122.8
141R37.7Very low44Very low219 Ų219129.2 Ų129.283%0.82679%0.791SS**PPolyproline II helixtrans-78.4135.7138.7170-172.1177.9-141.23.1110.2
142P60.4Low44.7Very low111 Ų111127 Ų12772%0.72179%0.793SS**PPolyproline II helixtrans-96.6146.2159.934.3-29.4000112
143P48.3Very low44.6Very low110 Ų110123.6 Ų123.671%0.71479%0.792SS**PPolyproline II helixtrans-95.3171175.437.7-34.2000113.4
144S41.5Very low44.8Very low124 Ų124122.3 Ų122.387%0.86779%0.794SS**PPolyproline II helixtrans-65.9141-177.9-48.20000114.7
145A46.6Very low44.4Very low100 Ų100122.3 Ų122.383%0.82680%0.797SS**  trans-105.2146.2149.700000108
146G38.3Very low44.6Very low74 Ų74123.6 Ų123.676%0.76379%0.794SS**  cis102.670.816.400000110
147N43.8Very low44.4Very low160 Ų160123.4 Ų123.486%0.85679%0.791SS**  trans-121.9103.1-179.5-165.564000111.4
148T40.9Very low44Very low141 Ų141125.7 Ų125.787%0.86579%0.794SS**  trans-114.7128.817347.90000109.5
149G41.7Very low43.7Very low75 Ų75123.2 Ų123.277%0.77380%0.795SS**  trans153.6142.1165.200000116
150G41.7Very low43.3Very low67 Ų67123.4 Ų123.469%0.69181%0.808SS**  trans92.98117200000113.8
151L48.7Very low43.1Very low164 Ų164118.9 Ų118.986%0.85981%0.807SS**  75.3141.666.7-61.9172.7000114.6
152M49.2Very low43.1Very low188 Ų188115 Ų11593%0.92681%0.808SS**  trans74.5122.7-179.1-40.4-56.5-82.600115.3
153G41.8Very low42.2Very low76 Ų76115 Ų11578%0.78481%0.811SS**  cis149.8123.3-10.200000113
154G42.8Very low42.2Very low67 Ų67114.9 Ų114.969%0.69182%0.819SS**  trans61.8160.916600000118.4
155D40.2Very low42.2Very low149 Ų149112.7 Ų112.780%0.79782%0.816SS**  cis-159.1147.9-19-102.1-47.8000110.4
156L46.8Very low42Very low143 Ų143116.1 Ų116.175%0.74982%0.82SS**  trans43.6129.7141.5-61.5172.3000123.5
157T39.6Very low42.2Very low128 Ų128115.2 Ų115.279%0.78581%0.811SS**  trans82.4110.8138.157.50000122.5
158S37.6Very low42.3Very low130 Ų130119.1 Ų119.191%0.90982%0.816SS**  24.4115125.1-156.30000119.4
159G39.4Very low42.6Very low79 Ų79116.1 Ų116.181%0.81481%0.813SS**  trans-178.4118.8165.600000112.5
160A38.7Very low42.8Very low115 Ų115119.5 Ų119.595%0.9581%0.813SS**  trans-78.1137.9172.900000110.6
161G38.7Very low43Very low76 Ų76121.8 Ų121.878%0.78482%0.816SS**  trans179.6112.8177.800000113.9
162T37.9Very low42.6Very low138 Ų138125.2 Ų125.285%0.84782%0.818SS**  trans-61.7140.8173.449.10000113.3
163S42.5Very low42.3Very low112 Ų112122.3 Ų122.378%0.78381%0.806SS**  162.1151.1104.155.80000115.6
164A47.2Very low42.3Very low106 Ų106123.3 Ų123.388%0.87680%0.801SS**  trans61.1114.415200000121.6
165G42.4Very low42.6Very low78 Ų78126.4 Ų126.480%0.80481%0.809SS**  trans-170.1103.7162.400000111.5
166N42.8Very low42.8Very low172 Ų172123.2 Ų123.292%0.9281%0.811SS**  trans-65.5160.6-175.9-74.5-6.4000113.8
167G42.3Very low42.6Very low56 Ų56124.5 Ų124.558%0.57782%0.817SS**  cis171.6-168.40.300000114
168Y45.9Very low42.8Very low241 Ų241126.4 Ų126.495%0.94582%0.822SS**  trans67.1117.8-176.2-49-81000114.5
169G46.9Very low43.2Very low79 Ų79126.1 Ų126.181%0.81482%0.815SS**  cis123.1129.515.700000108.2
170N44.9Very low43.6Very low145 Ų145128.4 Ų128.478%0.77582%0.818SS**  cis-162.3133.818.2168.244.2000110.5
171P45.7Very low44Very low115 Ų115128.6 Ų128.675%0.74781%0.809SS**  trans-118.7127.416835.8-23.9000113.4
172R42.3Very low44.5Very low237 Ų237128.5 Ų128.589%0.89481%0.809SS**  trans178.8161.2166.4-105.5161.3159.4-175.5-6.5110.2
173N42Very low44.7Very low127 Ų127128.4 Ų128.468%0.67980%0.803SS**  cis179.5113.4-28.8169.593.3000109.7
174S41.9Very low45.2Very low97 Ų97129.9 Ų129.968%0.67880%0.802SS**  trans68.1-176.4147.7-40.70000117.4
175P48.8Very low45Very low132 Ų132130.9 Ų130.986%0.85779%0.792SS**  -127.5165.1-109.732.7-11.2000115.7
176G44.4Very low45.2Very low81 Ų81135.7 Ų135.784%0.83579%0.791SS**  trans-167.3138.3176.600000115.9
177L42Very low44.9Very low170 Ų170134.4 Ų134.489%0.8978%0.784SS**  trans-90.4123.9-178.4-66.7156.4000112
178L45.4Very low45.4Very low169 Ų169138.8 Ų138.889%0.88579%0.791SS**  trans-152.2103.4155.7-70.7-179.6000107.5
179V44.2Very low45.5Very low124 Ų124135.4 Ų135.475%0.75278%0.784SS**  56.7104.584.8175.70000113.9
180S49.6Very low45.1Very low126 Ų126136.3 Ų136.388%0.88178%0.784SS**  trans-164.397.6150.5-82.20000110.1
181P46.8Very low44.9Very low119 Ų119139.7 Ų139.777%0.77379%0.791SS**  trans-96.4145.1173.935.5-30.3000112.1
182G47.7Very low44.8Very low75 Ų75139.3 Ų139.377%0.77379%0.792SS**  trans-155.689.2168.100000109.5
183N42.1Very low45.1Very low136 Ų136133.5 Ų133.573%0.72778%0.784SS**  81.4109.887.8-96.210.8000114.9
184L54.3Low46.3Very low143 Ų143132.9 Ų132.975%0.74979%0.787SS**  66.8144.4126.4-59.2176.6000119.4
185N43.1Very low46.5Very low126 Ų126133.9 Ų133.967%0.67479%0.792SS**  cis-172.4170.3-17.7-166.6-2.7000107.3
186K46Very low46.8Very low180 Ų180135.9 Ų135.978%0.78379%0.792SS**  trans74.9104.4167.1-51.2170.3-174.5177.50114.7
187N36Very low46.7Very low144 Ų144138.8 Ų138.877%0.7779%0.788SS**  71.2104.564.6-170.664000113.7
188M53.7Low46.9Very low149 Ų149138.1 Ų138.173%0.73479%0.785SS**  trans176.7142.8133.1-96.8-60-13800113.6
189Q48.7Very low46.8Very low170 Ų170133.6 Ų133.679%0.79478%0.779SS**  trans66.483152-67.2-178.3-27.200121.9
190A36.7Very low47Very low98 Ų98135.4 Ų135.481%0.8178%0.781SS**  9126127.200000120.9
191K41.5Very low46.8Very low215 Ų215136.2 Ų136.294%0.93578%0.776SS**  -158.1139.2124.6-118.9167.5-179.5173.60112.9
192S43.2Very low46.7Very low108 Ų108136.2 Ų136.276%0.75577%0.769SS**PPolyproline II helixtrans-80.8166.5-179.352.60000112.5
193P49.4Very low47Very low114 Ų114143 Ų14374%0.7477%0.771SS**PPolyproline II helixtrans-78.1153.5-164.532.2-36.3000113.8
194P66.9Low47.4Very low114 Ų114146.1 Ų146.174%0.7478%0.778SS**PPolyproline II helixtrans-88.5130.9179.633.3-32.7000113.4
195P46.2Very low47.3Very low119 Ų119145.9 Ų145.977%0.77379%0.785SS**PPolyproline II helixtrans-101.7122.8160.434.3-26.1000111.2
196M54.1Low47.6Very low174 Ų174146.1 Ų146.186%0.85779%0.787SS**  trans-146.7121.3168.4-61.7-171.5-64.900107.1
197N43.7Very low47.9Very low142 Ų142145.1 Ų145.176%0.75979%0.789SS**  cis96.6121.727.2-159.723.7000114.4
198L44.7Very low49.1Very low156 Ų156148.7 Ų148.782%0.81779%0.792SS**  trans53118166.6-76.1152.6000120.2
199G44.1Very low49.5Very low74 Ų74147.4 Ų147.476%0.76379%0.792SS**  trans173.5105164.100000112.9
200M48.3Very low50.2Low161 Ų161147.2 Ų147.279%0.79380%0.796SS**  trans-53.5138.4-179.5-83.570.686.200113.5
201N45.6Very low51.4Low144 Ų144149.5 Ų149.577%0.7779%0.793SS**  176132.6102.5-91.6-58.9000115.1
202N45.8Very low52.6Low118 Ų118144.4 Ų144.463%0.63178%0.781SS**  trans62.9116.8151.3-88-39.8000123.1
203R52.3Low53.6Low218 Ų218145.2 Ų145.282%0.82378%0.784SS**  trans82.781.7134.8-61166.7-165.4-172-0.6119.2
204K50.9Low53.5Low201 Ų201143.3 Ų143.387%0.87479%0.785SS**  trans-107.6139.5139.1-79.6176.5170178.50109
205P51.5Low52.7Low138 Ų138143.9 Ų143.990%0.89679%0.792SS**  trans-83.4114.4160.632-27.1000108.8
206D50.2Low52.7Low131 Ų131147.3 Ų147.370%0.70180%0.795SS**  trans-112.6117.4171.2-176.134.7000108.5R208D206-R208 PolarHBondContact O-N 3.21Å
207L52.5Low52.3Low159 Ų159146.6 Ų146.683%0.83279%0.794SS**  trans-91.890.5-167.1-167.875.4000110.3V209L207-V209 PolarHBondContact O-N 3.27Å
208R61.9Low52.5Low219 Ų219145.6 Ų145.683%0.82679%0.794SS**  trans-76.1116.6173.6-57.3-175.1-162.6162.16.4110.2D206 L210D206-R208 PolarHBondContact O-N 3.21Å; R208-L210 PolarHBondContact O-N 3.13Å
209V62.3Low52.7Low123 Ų123146.1 Ų146.175%0.74579%0.794SS**  trans-74.9116.9170.5176.60000108.8L207 I211L207-V209 PolarHBondContact O-N 3.27Å; V209-I211 HydrophobicContact CG1-CG1 4.39Å
210L63.1Low52.9Low166 Ų166147.4 Ų147.487%0.86979%0.789SS**  trans-89.2115.1175.8-161.184.4000109.2R208R208-L210 PolarHBondContact O-N 3.13Å
211I62.4Low52.6Low146 Ų146144.2 Ų144.275%0.74978%0.782SS**PPolyproline II helixtrans-96.3117.4173.8-59.3174.4000108.1V209V209-I211 HydrophobicContact CG1-CG1 4.39Å
212P66.4Low52.8Low107 Ų107144 Ų14470%0.69579%0.786SS**PPolyproline II helixtrans-73.6139.4173.429.2-32.3000110.9
213P64.2Low52.5Low125 Ų125145.3 Ų145.381%0.81279%0.793SS**PPolyproline II helixtrans-76.1139.3-178.530.8-34.5000112
214G46.5Very low52.2Low74 Ų74143.3 Ų143.376%0.76379%0.793SS**PPolyproline II helixtrans-79.1123.9178.800000113.3
215S49.9Very low51.7Low127 Ų127145 Ų14589%0.88879%0.794SS**PPolyproline II helixtrans-85.9129170.5-68.50000111.2
216K47.3Very low51.7Low191 Ų191146.1 Ų146.183%0.8379%0.79SS**PPolyproline II helixtrans-91.7138.9179-55165-175.4174.70109.4
217N45.5Very low51.4Low158 Ų158146.3 Ų146.385%0.84579%0.792SS**  trans-165.4101.9154.9-91.7-17.7000106.8
218T47.5Very low50.9Low121 Ų121145 Ų14574%0.74279%0.786SS**  74.185.781.9-51.10000113.8
219M48Very low49.8Very low167 Ų167139.3 Ų139.382%0.82378%0.779SS**  42.5161.9126.5-72.7-69.6-94.400121.8
220P48.9Very low49Very low102 Ų102142.5 Ų142.566%0.66279%0.786SS**  cis-136.6167.2-7.932.1-10.6000117.4
221S42.6Very low48.2Very low93 Ų93140 Ų14065%0.6578%0.783SS**  trans27.2124.3139.1-165.60000122.5
222V49.4Very low47.2Very low140 Ų140137.5 Ų137.585%0.84878%0.784SS**  trans-130127.4138.7171.50000109.4
223N39.9Very low46.3Very low145 Ų145142 Ų14278%0.77580%0.795SS**  trans-100.8128.1176.3-100.7-36.3000110.8
224Q44.6Very low45.1Very low177 Ų177141.6 Ų141.683%0.82780%0.795SS**  trans-163.5104.1154.3-103.316950.300105.9
225R40.3Very low45.3Very low236 Ų236146.9 Ų146.989%0.89181%0.805SS**  58.114678.8-80.7-162.1-179.9-147.41.7114.9
226I53.2Low45.1Very low161 Ų161145.3 Ų145.383%0.82680%0.8SS**  trans87.2108-176.3-51.2158.8000110.9
227N43.8Very low45.3Very low135 Ų135142.7 Ų142.772%0.72280%0.8SS**  cis96.7119.131.5-168.334.7000114.4
228N40.9Very low45.6Very low133 Ų133140.9 Ų140.971%0.71180%0.797SS**  trans52.3112.7159.4-84.53.7000122.6
229S40.1Very low45.8Very low98 Ų98141 Ų14169%0.68580%0.797SS**  74.7142.5116.2-52.50000122.7
230Q45.5Very low45.8Very low191 Ų191139.1 Ų139.189%0.89380%0.795SS**  trans76.992162.3-57.5-172.923.600119.8
231S44.5Very low45.7Very low114 Ų114139 Ų13980%0.79780%0.796SS**  -176.5101.7129.356.10000108.2
232A43.1Very low46.2Very low93 Ų93141 Ų14177%0.76981%0.805SS**  60.595.384.200000114
233Q46.4Very low46.1Very low202 Ų202138.8 Ų138.894%0.94480%0.801SS**  trans-158.9115.3141.8-111.516947.300109.8
234S39.6Very low46.4Very low115 Ų115138.2 Ų138.280%0.80480%0.803SS**  trans-90.2138.7-177.9-54.90000111
235L51Low46.7Very low185 Ų185135.4 Ų135.497%0.96980%0.8SS**  trans-116.599.1158.6-75.3171.6000108
236A44.6Very low46.9Very low95 Ų95130.1 Ų130.179%0.78579%0.794SS**  trans-102.8129.2173.800000109.4
237T52.1Low46.7Very low136 Ų136130.6 Ų130.683%0.83480%0.797SS**  trans-104.5141.8161.244.30000109
238P52.7Low46.8Very low119 Ų119130.2 Ų130.277%0.77380%0.802SS**  trans-78.3135-159.728.8-35.6000113.9
239V50.5Low46.9Very low125 Ų125127 Ų12776%0.75880%0.801SS**  trans-71.2127.5157.7169.60000108.5S241V239-S241 PolarHBondContact O-N 2.81Å
240V47.2Very low47Very low126 Ų126132.2 Ų132.276%0.76481%0.814SS**  trans-90.896.5169.5-179.30000108.8
241S47.6Very low46.7Very low100 Ų100126.7 Ų126.770%0.69981%0.808SS**  trans-94.1107.5166.6-63.30000109.4V239 A243V239-S241 PolarHBondContact O-N 2.81Å; S241-A243 PolarHBondContact O-N 2.7Å; S241-A243 VanDerWaalsContact O-N 3.1Å
242V52.3Low46.6Very low136 Ų136130.5 Ų130.582%0.82482%0.816SS**  trans-72.399.4166.1-87.10000109.1
243A47.2Very low46.5Very low93 Ų93129.8 Ų129.877%0.76982%0.818SS**PPolyproline II helixtrans-69.5129179.800000111.5S241 P245S241-A243 PolarHBondContact O-N 2.7Å; S241-A243 VanDerWaalsContact O-N 3.1Å; A243-P245 WeakPolarHBondContact O-CD 3.19Å
244T46.9Very low46.1Very low133 Ų133123.1 Ų123.182%0.81680%0.803SS**PPolyproline II helixtrans-90.6118.6167.9-41.70000109.3
245P51.4Low46.3Very low118 Ų118128.8 Ų128.877%0.76681%0.809SS**PPolyproline II helixtrans-85.2119.8167.430.6-27.5000110.2A243A243-P245 WeakPolarHBondContact O-CD 3.19Å
246T44.8Very low45.8Very low125 Ų125125.6 Ų125.677%0.76780%0.799SS**PPolyproline II helixtrans-55.9149.9168.949.90000113.5
247L49Very low45.6Very low171 Ų171127.3 Ų127.390%0.89581%0.805SS**  trans-153.6147.8136.3-131.374.6000110.9
248P45.8Very low45.1Very low127 Ų127125.2 Ų125.283%0.82580%0.802SS**  trans-115178-17042.1-31.9000114.8
249G41.9Very low44.8Very low66 Ų66127.4 Ų127.468%0.6881%0.805SS**  trans122.499.3166.100000113.2
250Q42.1Very low44.2Very low206 Ų206126.3 Ų126.396%0.96380%0.803SS**  65.2125.291.4-75.7-160.6-14.500115.4
251G39.1Very low44Very low75 Ų75126.4 Ų126.477%0.77380%0.804SS**  trans17232.9173.400000123
252M43.3Very low43.5Very low194 Ų194127.2 Ų127.296%0.95681%0.805SS**  trans60.1136148.9-14066.373.700123
253G39.9Very low43.2Very low79 Ų79130.6 Ų130.681%0.81481%0.805SS**  trans86.9136165.800000114.3
254G38.4Very low42.8Very low62 Ų62129.9 Ų129.964%0.63981%0.806SS**  cis174.7175100000108.7
255Y43.8Very low42.5Very low233 Ų233129.5 Ų129.591%0.91480%0.803SS**  trans76.7119.8-177.7-54.2-75.8000117.6
256P41.1Very low42.1Very low119 Ų119131.7 Ų131.777%0.77380%0.803SS**  trans-92.3143.7159.836-29.5000110.6
257S41.4Very low42.1Very low130 Ų130135.8 Ų135.891%0.90981%0.807SS**  trans-159.2142.3155.4-83.60000110.8
258A40.6Very low41.9Very low92 Ų92133.3 Ų133.376%0.7680%0.804SS**  trans-86145.2-172.200000112.4
259I45.8Very low42Very low166 Ų166135 Ų13585%0.85180%0.804SS**  trans-131101149.437.3173.2000107.8T261I259-T261 PolarHBondContact O-N 2.7Å
260S38.8Very low42Very low102 Ų102137.1 Ų137.171%0.71381%0.809SS**  trans-75116.5169.2-63.20000108.2T262S260-T262 VanDerWaalsContact C-N 3.29Å; S260-T262 PolarHBondContact O-N 2.93Å
261T42Very low42.2Very low127 Ų127133.1 Ų133.178%0.77980%0.804SS**  trans-74.389.2166.7-54.90000108.3I259 Y263I259-T261 PolarHBondContact O-N 2.7Å; T261-Y263 PolarHBondContact O-N 3.39Å; T261-Y263 VanDerWaalsContact O-N 3.15Å
262T37.1Very low42.7Very low117 Ų117132.8 Ų132.872%0.71879%0.794SS**  trans-60.1112.6171.8-61.90000109.4S260S260-T262 VanDerWaalsContact C-N 3.29Å; S260-T262 PolarHBondContact O-N 2.93Å
263Y45.8Very low42.9Very low208 Ų208129.9 Ų129.982%0.81678%0.782SS**  trans-65.4141.9163.5-97.4-98.1000109.9T261 T265T261-Y263 PolarHBondContact O-N 3.39Å; T261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-T265 PolarHBondContact O-N 3.48Å
264G40.2Very low43.4Very low77 Ų77134.2 Ų134.279%0.79479%0.786SS**  trans-57121.5179.500000111.8
265T39.9Very low44Very low125 Ų125136.6 Ų136.677%0.76779%0.793SS**  trans-98.5100.8178.3-51.60000109.4Y263Y263-T265 PolarHBondContact O-N 3.48Å
266E43Very low44.5Very low164 Ų164129.8 Ų129.877%0.76678%0.779SS**  trans-141.733168.868.6-177.2142.700114.8
267Y44.5Very low44.8Very low212 Ų212131.4 Ų131.483%0.83178%0.78SS**  trans-131.486.3161.5-70.3-74.4000111L269Y267-L269 PolarHBondContact O-N 2.9Å; Y267-L269 VanDerWaalsContact O-N 3.14Å
268S44.4Very low45Very low119 Ų119130.9 Ų130.983%0.83278%0.777SS**  trans-70.7100.6171.4-62.30000110.5
269L49.1Very low44.9Very low161 Ų161129 Ų12984%0.84377%0.766SS**  trans-95.7130.6162.8-68.3177.9000109.4Y267 S271Y267-L269 PolarHBondContact O-N 2.9Å; Y267-L269 VanDerWaalsContact O-N 3.14Å; L269-S271 PolarHBondContact O-N 2.88Å; L269-S271 VanDerWaalsContact O-N 3.15Å
270S41.9Very low44.6Very low112 Ų112130.3 Ų130.378%0.78377%0.766SS**  trans-65.4112.1-174.5-710000111.9A272S270-A272 VanDerWaalsContact C-N 3.25Å; S270-A272 PolarHBondContact O-N 2.98Å
271S45.1Very low44.5Very low121 Ų121133.6 Ų133.685%0.84678%0.775SS**THydrogen-bonded Turntrans-76.373.2168.940.70000111.1L269L269-S271 PolarHBondContact O-N 2.88Å; L269-S271 VanDerWaalsContact O-N 3.15Å
272A49.9Very low44.3Very low68 Ų68134.3 Ų134.356%0.56278%0.78SS**THydrogen-bonded Turntrans-120.9-34.4174.800000113.7S270S270-A272 VanDerWaalsContact C-N 3.25Å; S270-A272 PolarHBondContact O-N 2.98Å
273D48.8Very low44.3Very low133 Ų133133.4 Ų133.471%0.71178%0.784SS**G310 helixtrans-92.4-4.5-168.4-66.7-56.7000116.1S275 S276D273-S275 VanDerWaalsContact C-N 3.25Å; D273-S275 PolarHBondContact O-N 2.99Å; D273-S276 PolarHBondContact O-OG 3.17Å
274L49.4Very low44Very low171 Ų171129.3 Ų129.390%0.89579%0.786SS**G310 helixtrans-802.7-177.9-66179.6000114.9
275S51.6Low43.9Very low112 Ų112129.9 Ų129.978%0.78378%0.783SS**G310 helixtrans-100.93.4-177.1-57.30000114.7D273D273-S275 VanDerWaalsContact C-N 3.25Å; D273-S275 PolarHBondContact O-N 2.99Å
276S54.4Low44Very low89 Ų89132.5 Ų132.562%0.62279%0.792SS**SBendtrans-103.8-2.6-169.360.20000115.6D273D273-S276 PolarHBondContact O-OG 3.17Å
277L46.4Very low43.5Very low153 Ų153132.8 Ų132.880%0.80179%0.793SS**  trans-108.143.7-175.6-72.6171.1000114.3G279L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 3.07Å
278S45.4Very low43.3Very low120 Ų120131.1 Ų131.184%0.83980%0.797SS**  trans-84.569.5164.945.60000110.9
279G39.9Very low43.1Very low51 Ų51128.8 Ų128.853%0.52679%0.791SS.*  trans-131.6-8.2-163.700000119.2L277L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 3.07Å
280F38.9Very low42.6Very low194 Ų194126.5 Ų126.585%0.85179%0.789SS**  trans-13779.7-171.8-63.3-72.9000113.8
281N36Very low42.9Very low171 Ų171127.7 Ų127.791%0.91479%0.791SS**  trans-106.9114.6159.5-79.1-47.3000108.7
282T38.6Very low43Very low143 Ų143127.7 Ų127.788%0.87779%0.786SS**  trans-122.7114166.423.10000109.2
283A36.2Very low42.6Very low98 Ų98128 Ų12881%0.8180%0.797SS**  trans-84.3137175.100000110.5
284S39.6Very low42.7Very low122 Ų122134.1 Ų134.185%0.85381%0.81SS**  trans-175.4133.7148-83.50000111
285A39.9Very low42.3Very low89 Ų89133.7 Ų133.774%0.73680%0.803SS**  trans22.2135.4153.400000119.7
286L40.3Very low41.9Very low180 Ų180137.6 Ų137.694%0.94281%0.809SS**  -158.2161.957.5-78.3162.7000112.5
287H34.1Very low41.2Very low170 Ų170140.7 Ų140.779%0.78781%0.814SS**  trans-129.6130.2-176.5152.4-72000111.2
288L39.4Very low40.8Very low177 Ų177140.6 Ų140.693%0.92781%0.809SS**  trans175.8141163.3-93.6139.5000107
289G40.8Very low40.4Very low69 Ų69141.6 Ų141.671%0.71180%0.804SS**  cis-169172.1-3.100000110.5
290S36.9Very low40.5Very low113 Ų113146.7 Ų146.779%0.7981%0.814SS**  trans-85.1149.9-169.4177.30000115.4
291V48.2Very low40.5Very low137 Ų137143 Ų14383%0.8380%0.803SS**  trans-140.7100151.3-78.70000113.2
292T47.7Very low41Very low121 Ų121142.4 Ų142.474%0.74280%0.797SS**  trans20.2124.8145.655.30000121.5
293G42.1Very low41.2Very low76 Ų76141 Ų14178%0.78479%0.79SS**  trans-88.8160.9157.100000113.3
294W50.9Low41.7Very low261 Ų261142 Ų14299%0.98979%0.788SS**  trans-88.4150179.3-81.480.9000113.1
295Q41.7Very low41.8Very low162 Ų162142.1 Ų142.176%0.75779%0.789SS**  trans-126.7127-163.8176.1-168.625.600110.8
296Q42.9Very low41.9Very low193 Ų193141.7 Ų141.790%0.90279%0.785SS**  trans-159124.9151.4-152.3110.719.500111.1
297Q39.6Very low41.9Very low155 Ų155141 Ų14172%0.72478%0.782SS**  trans-97.6172.5166.5-58.8175.1-66.900108
298H37.5Very low42.1Very low150 Ų150137 Ų13769%0.69477%0.773SS**  cis-177.2167.744-150.3-96.3000110.7
299L37.2Very low42.2Very low141 Ų141135.9 Ų135.974%0.73876%0.763SS**  trans76.3108.2159.6-80.4136.7000124.1
300H41.7Very low42.2Very low159 Ų159140.6 Ų140.674%0.73677%0.771SS**  80.2127117.5-117.858.4000125.3
301N38.3Very low42.3Very low115 Ų115138.4 Ų138.462%0.61577%0.766SS**  trans76.7115.4141.2-85.918.5000126.2
302M46.6Very low41.6Very low160 Ų160136.8 Ų136.879%0.78877%0.768SS**  79.3154.8128.4-68.5-58.6-178.800120.9
303P44.5Very low41.2Very low113 Ų113136.3 Ų136.373%0.73477%0.768SS**  trans-127.4-149.2-132.951-35.8000113.9
304P45.6Very low41Very low118 Ų118139.1 Ų139.177%0.76677%0.77SS**  -116.2167.4-129.923.81.7000116.4
305S42.5Very low40.4Very low125 Ų125131.2 Ų131.287%0.87476%0.755SS**  trans-170.4159.8173.2-76.20000108.5
306A41.1Very low40.3Very low80 Ų80129 Ų12966%0.66175%0.752SS**  cis-171.7-175.3-19.300000107.2
307L39.6Very low40.2Very low166 Ų166127.5 Ų127.587%0.86975%0.745SS**  trans67158.6178.1-85.577.5000116.1
308S39.3Very low40.2Very low87 Ų87127.2 Ų127.261%0.60875%0.747SS**  cis-179.7167.6-26.2-98.60000108.5
309Q41.6Very low40.1Very low152 Ų152124.3 Ų124.371%0.7174%0.744SS**  cis175.9154.6-20.2176.4178.3-14.600109.1
310L41.1Very low40.1Very low168 Ų168126.2 Ų126.288%0.8875%0.749SS**  trans69150.6179-60.1127.4000115.9
311G37.7Very low39.8Very low67 Ų67123.7 Ų123.769%0.69175%0.75SS**  cis158.8122.1-3.100000107.9
312A35.4Very low40.1Very low104 Ų104124.3 Ų124.386%0.8676%0.763SS**  82.289.159.300000115.7
313C37.9Very low39.6Very low110 Ų110124.8 Ų124.874%0.74377%0.768SS**  trans-171111.6150.251.40000109.5
314T38.3Very low39.5Very low135 Ų135127.9 Ų127.983%0.82878%0.778SS**  55.6126.381.765.10000113.3
315S38.1Very low39.1Very low96 Ų96127.2 Ų127.267%0.67178%0.776SS**  179.3144.756.5-1650000113.3
316T39.7Very low39Very low114 Ų114129 Ų12970%0.69978%0.775SS**  trans48.4137.714058.20000121.8
317H40.4Very low39Very low163 Ų163130.6 Ų130.676%0.75578%0.779SS**  cis-168.5156.845.255.3-88.4000114.8
318L39.3Very low39Very low148 Ų148127 Ų12778%0.77577%0.767SS**  trans33.1152.8139.2-7390.5000121.9
319S35.4Very low39Very low89 Ų89128.4 Ų128.462%0.62277%0.773SS**  cis-179173.4-13.9-92.40000109.6
320Q38Very low39.3Very low182 Ų182129.7 Ų129.785%0.8578%0.779SS**  trans73.5117166.9-60.5168.67.600116.3
321S36.1Very low39.3Very low106 Ų106127 Ų12774%0.74177%0.774SS**  cis85.1105.735.783.30000115.4
322S43.9Very low39.7Very low128 Ų128131.6 Ų131.690%0.89578%0.782SS**  trans-159109.7158.7-77.90000110.2
323N36.4Very low40.4Very low169 Ų169134 Ų13490%0.90478%0.78SS**  trans-89.5141.6163.1-81.7-70.9000108.5
324L41.4Very low40.9Very low178 Ų178135.6 Ų135.693%0.93278%0.78SS**  trans-153.9149.9158.6-104.4164.8000110.4
325S38.6Very low41.9Very low104 Ų104138.6 Ų138.673%0.72778%0.781SS**  trans-102.5161.8-158.646.20000115.3
326L39.7Very low42.7Very low162 Ų162139.2 Ų139.285%0.84879%0.786SS**  trans-56.8157.4175.8-83.770.1000113.5
327P41.6Very low44Very low114 Ų114142.5 Ų142.574%0.7479%0.793SS**  -144.1135.5106.436.3-21.2000117.1
328S39Very low45.1Very low90 Ų90140.1 Ų140.163%0.62979%0.792SS**  trans28.9134.714168.90000124.6
329T38.8Very low46.3Very low118 Ų118139.8 Ų139.872%0.72480%0.796SS**  trans88148.1152.676.80000120.1
330Q47.5Very low47.4Very low179 Ų179140.5 Ų140.584%0.83680%0.801SS**  trans74.9135.9175.4-49175.946.200115
331S41.9Very low49Very low111 Ų111137.4 Ų137.478%0.77680%0.797SS**  cis-159.1138.5-12450000109.6N333S331-N333 PolarHBondContact O-N 3.39Å
332L45.6Very low50Low164 Ų164138.1 Ų138.186%0.85980%0.798SS**  trans-80111.9178-81.7161.6000110.6I334L332-I334 PolarHBondContact O-N 3.41Å
333N50.1Low50.5Low153 Ų153143.8 Ų143.882%0.81880%0.8SS**  trans-85.488175.8-173.71.9000110.8S331 K335S331-N333 PolarHBondContact O-N 3.39Å; N333-K335 PolarHBondContact O-N 3.28Å
334I48.4Very low51.1Low145 Ų145143.2 Ų143.274%0.74480%0.797SS**  trans-85.799.8174.2-60.4165.8000108.2L332 S336L332-I334 PolarHBondContact O-N 3.41Å; I334-S336 PolarHBondContact O-N 3.47Å
335K60.1Low51.3Low198 Ų198146 Ų14686%0.86180%0.795SS**  trans-71.7105.5176.9-177.4175175.5-179.10110N333N333-K335 PolarHBondContact O-N 3.28Å
336S55.9Low51.8Low109 Ų109147.7 Ų147.776%0.76280%0.802SS**PPolyproline II helixtrans-70.5138.7173.239.50000111.8I334I334-S336 PolarHBondContact O-N 3.47Å
337E65.6Low52Low183 Ų183145.5 Ų145.586%0.85580%0.795SS**PPolyproline II helixtrans-79.1140.4178.4-166.3178.3160.700110.9
338P64.2Low51.9Low112 Ų112145.8 Ų145.873%0.72780%0.795SS**PPolyproline II helixtrans-72.8138.8-178.528.9-34.9000112.6
339V63.5Low52.1Low141 Ų141147.2 Ų147.286%0.85580%0.802SS**PPolyproline II helixtrans-67137.1179.877.30000111.8
340S59.9Low52Low104 Ų104146.8 Ų146.873%0.72780%0.804SS**PPolyproline II helixtrans-72.6138.5177.6-71.10000112
341P71Confident51.7Low118 Ų118149.9 Ų149.977%0.76681%0.808SS**PPolyproline II helixtrans-65.1146.3178.6-2233.4000113.6
342P57.4Low51.4Low120 Ų120154.7 Ų154.778%0.77981%0.81SS**PPolyproline II helixtrans-72.2146.7179.330.4-34.7000112.1
343R53.1Low51.2Low248 Ų248152 Ų15294%0.93680%0.803SS**  trans-94107.2176.9-132.4-179.3-176.6157.50.8109.5R345R343-R345 PolarHBondContact O-N 3.41Å
344D50Low50.6Low156 Ų156152.1 Ų152.183%0.83480%0.798SS**  trans-62.3134.5175.7-84.6-52000112.5
345R45.2Very low50.3Low236 Ų236152.4 Ų152.489%0.89180%0.796SS**  trans-119.196.1170.8-100.9-172.5166.1-164.3-1.8108.8R343R343-R345 PolarHBondContact O-N 3.41Å
346T50.2Low49.5Very low141 Ų141149.2 Ų149.287%0.86579%0.793SS**  trans-81.8131.3166.1-56.80000110.1
347T42.4Very low48.4Very low115 Ų115154.1 Ų154.171%0.70680%0.795SS**  trans-98.4145.2-172.3-680000111.5
348T40.6Very low47.2Very low120 Ų120153 Ų15374%0.73679%0.79SS**  trans-25.3157.2160.430.30000117.4
349P41.9Very low46.1Very low121 Ų121156.7 Ų156.779%0.78680%0.797SS**  -157.1153.458.841.6-19.4000122.5
350S38.1Very low45.1Very low108 Ų108154.6 Ų154.676%0.75580%0.795SS**  trans38.4108.5135.1-179.20000122
351R40Very low44.5Very low245 Ų245153 Ų15393%0.92580%0.795SS**  -158.4133.1129.3-135.6178.1-176.4178.50.9113.2
352Y36.4Very low43.6Very low212 Ų212159.6 Ų159.683%0.83180%0.804SS**  trans-81.6174161.9-71.7-83.9000109.6
353P42.1Very low43.2Very low108 Ų108159.1 Ų159.170%0.70180%0.804SS**  cis-143.8174.915.743.9-24.6000118.7
354Q36Very low43Very low154 Ų154152.6 Ų152.672%0.7279%0.794SS**  trans49.2113.5142.9-63.6-96.310.700121.2
355H42.4Very low43Very low152 Ų152151.7 Ų151.770%0.70479%0.794SS**  161.1143.3108.4-91.5-72.6000113.3
356T42.7Very low42.9Very low130 Ų130147.1 Ų147.180%0.79879%0.787SS**  trans48.8145.7152.553.80000121
357R33.5Very low42.6Very low213 Ų213146 Ų14680%0.80479%0.785SS**  cis175.1133.8-21.6-147.8-157.6169.6176.8-4.8103.9
358H40.6Very low42.5Very low159 Ų159148.8 Ų148.874%0.73680%0.795SS**  trans29.6120.4164.5-60.8-76.8000122.5
359E41.1Very low42.8Very low189 Ų189149 Ų14988%0.88380%0.801SS**  -164.1120.6109.2-100.2-166.2118.500107.7
360A43.5Very low42.6Very low98 Ų98148.5 Ų148.581%0.8180%0.8SS**  7193.48200000113.5
361G45.8Very low42.9Very low71 Ų71149.8 Ų149.873%0.73281%0.808SS**  trans-176.994.7178.100000116.6
362R52.1Low42.9Very low255 Ų255143.5 Ų143.596%0.96280%0.801SS**  trans78.7128154.5-55.3172.9-173.5-92.4-3.9118.3
363S49.4Very low42.9Very low111 Ų111138.4 Ų138.478%0.77680%0.796SS**  trans-110.2-156.6-178.955.60000109.6
364P49.5Very low43Very low110 Ų110139.3 Ų139.371%0.71481%0.806SS**  -123.3174.2-55.528.5-10.7000111.7
365V49.9Very low43.4Very low138 Ų138142 Ų14284%0.83681%0.811SS**  trans-175144.2131.658.70000111.4
366D43.2Very low43.5Very low140 Ų140142.3 Ų142.375%0.74982%0.817SS**  trans-70.5151.3-173.7-51.4-97.8000115.4
367S43.7Very low43.8Very low116 Ų116138.7 Ų138.781%0.81181%0.806SS**  trans-171.284.8142.9-84.40000111.2
368L41Very low44.4Very low175 Ų175133.8 Ų133.892%0.91680%0.804SS**  trans-84107.4163.2-69.7173.5000108.9
369S45.1Very low45.1Very low124 Ų124133 Ų13387%0.86781%0.805SS**  trans-103.586.5168.6-71.10000110.3
370S39.4Very low45.3Very low111 Ų111135.2 Ų135.278%0.77681%0.806SS**  trans-80.6123.7168.6520000110.8
371C42.6Very low45.8Very low135 Ų135138.4 Ų138.491%0.91280%0.804SS**  trans-107.8114.8159-80.80000109.6
372S40.1Very low45.9Very low113 Ų113142.3 Ų142.379%0.7981%0.808SS**  trans-79155.9179.8-172.90000111.9
373S36.4Very low46Very low104 Ų104138.8 Ų138.873%0.72780%0.802SS**  trans-69.4154.3160.651.20000112
374S44.1Very low45.7Very low128 Ų128144 Ų14490%0.89581%0.805SS**  trans-164161.8136.914.80000110.7
375Y44.6Very low45.7Very low210 Ų210146 Ų14682%0.82481%0.81SS**  trans-112.5136.9-163.2169.8-85.3000109.7
376D45.9Very low45.2Very low158 Ų158145.8 Ų145.885%0.84580%0.8SS**  trans-150.1152.4153.7-166.735.6000109.7
377G48.3Very low45.3Very low55 Ų55147 Ų14757%0.56780%0.798SS**  trans143.756.4-171.200000113.2
378S46.7Very low45.2Very low109 Ų109148.6 Ų148.676%0.76279%0.793SS**  trans-78.7127.2170.5177.50000110
379D54.9Low45.1Very low142 Ų142145.1 Ų145.176%0.75978%0.783SS**  trans-139.9111.9166.6-145.3-36.9000110.5
380R46Very low45.3Very low236 Ų236144.6 Ų144.689%0.89178%0.777SS**  trans-158.494.9179.3-117.4-170.2177.8163.2-0.4107.5
381E53.4Low45.7Very low166 Ų166147.5 Ų147.578%0.77678%0.782SS**  trans-111.7120.8168.6-71.4-167.498.200110.4
382D48Very low45.7Very low152 Ų152143.8 Ų143.881%0.81377%0.766SS**  trans-68.3144170.1-78.8-86.9000111.3
383H54.6Low46.1Very low181 Ų181146.4 Ų146.484%0.83877%0.77SS**  trans-130.3125.8157.5-85.772.3000110.6
384R42.7Very low46.7Very low221 Ų221148.8 Ų148.883%0.83478%0.781SS**  trans-78.4154.5-175.4-73.3166.3152.7175.1-10.9113.2
385N48.3Very low46.8Very low153 Ų153154.1 Ų154.182%0.81878%0.782SS**  trans178.695.5137.4-89.5-9.1000105.4
386E40Very low46.8Very low133 Ų133149.1 Ų149.162%0.62178%0.775SS**  66.410467.9-152.3173.8173.100112.7
387F45.7Very low46.5Very low165 Ų165147.3 Ų147.372%0.72477%0.774SS**  170.5115.3119-101.1-87.1000112.7
388H42Very low46.6Very low149 Ų149149.7 Ų149.769%0.6978%0.78SS**  trans39.8115.4146.9-69.3-102.7000122.1
389S39.4Very low46.3Very low102 Ų102152 Ų15271%0.71378%0.784SS**  98.1163.973.6-62.30000112.9
390P48.9Very low45.8Very low113 Ų113152.9 Ų152.973%0.73478%0.783SS**  -128.9-158.3-106.532.2-6.8000114.5
391I47.6Very low45.7Very low172 Ų172151 Ų15188%0.88278%0.776SS**  trans85.2138.5-179.3-51.9156.4000112.4
392G42.9Very low45.2Very low57 Ų57150.7 Ų150.759%0.58878%0.775SS**  cis159.8138-6.700000111.4
393L48.2Very low44.9Very low168 Ų168148.5 Ų148.588%0.8877%0.772SS**  trans56.7108.4170.2-64.8126.3000119.1
394T49.5Very low44.6Very low155 Ų155145.8 Ų145.895%0.95177%0.77SS**  -178.3166.5112.128.40000112.5
395R45.1Very low44.7Very low240 Ų240140.5 Ų140.591%0.90677%0.767SS**  trans-98.7174.5-167.5-105.1-170.885.1-174.16.1113.6
396P43.9Very low44.6Very low104 Ų104139.1 Ų139.168%0.67576%0.763SS**  trans-112.7174.1-152.842.9-36.6000115.5
397S40.9Very low45.1Very low120 Ų120142.2 Ų142.284%0.83978%0.775SS**  trans-175.2166.7142.7-111.90000111.2
398P49Very low45.4Very low105 Ų105146.2 Ų146.268%0.68279%0.785SS**  trans-116.4168.5-144.240.4-31.6000117.4
399D41.5Very low45.8Very low159 Ų159145.9 Ų145.985%0.8579%0.786SS**  trans19.8105157.2-63.6-80.9000120.7
400E45.1Very low46.3Very low160 Ų160150 Ų15075%0.74879%0.786SS**  trans-139.8132.2144.3-94.3-153.892.800111.9
401R43.5Very low46.8Very low195 Ų195151.8 Ų151.874%0.73679%0.788SS**  trans72.7139.9144.7-67.8174.7175.2-113.73.2123.9
402E42.4Very low46.7Very low160 Ų160148.7 Ų148.775%0.74878%0.782SS**  trans100.9117.8136.7-126.9119.4138.200120.3
403S41.1Very low47.1Very low107 Ų107155 Ų15575%0.74880%0.796SS**  trans-80.9168.9164.9-43.50000110.1
404P49.3Very low47.2Very low124 Ų124150 Ų15081%0.80579%0.786SS**  -154.815179.837.8-17000118.5
405S44.5Very low47.6Very low109 Ų109154.3 Ų154.376%0.76279%0.785SS**  trans17.4152.6133.4-157.10000123.6
406V46.3Very low48Very low124 Ų124147.4 Ų147.475%0.75278%0.779SS**  trans122.3138.8143.9-178.60000116.3
407K50Low48.4Very low198 Ų198152.4 Ų152.486%0.86181%0.808SS**  trans75.788.3170.3-87.2169.6179.1174.50118.5
408R53.1Low48.8Very low249 Ų249154.1 Ų154.194%0.9481%0.806SS**  trans-121.5131130.7-165.1177.2-66.7143.1-0.4108.2
409M49Very low48.8Very low143 Ų143156.6 Ų156.670%0.70481%0.813SS**  trans-121.4154.7-177.1179.6176.358.500109.4
410R51.4Low49.2Very low188 Ų188156.5 Ų156.571%0.70981%0.811SS**  trans104.795.6148.6-131.9167.4-16996.11118.1
411L58Low49.5Very low151 Ų151156.3 Ų156.379%0.79181%0.814SS**  trans67.7130.5130.7-60.5176.5000120.9
412S45.7Very low49.8Very low106 Ų106153.9 Ų153.974%0.74182%0.819SS**  trans-105.6128.6167.150.40000109.9
413E52.3Low50.3Low189 Ų189153.5 Ų153.588%0.88382%0.824SS**  trans-170139154.5-106.2160.8169.500105.2
414G49.2Very low51Low65 Ų65156.8 Ų156.867%0.6783%0.829SS**  cis121.466.814.900000109.5
415W57.4Low51.1Low245 Ų245159.3 Ų159.393%0.92883%0.831SS**  trans-129.9121.2173.2-7897.9000110.5
416A54.8Low51.7Low94 Ų94163.5 Ų163.578%0.77784%0.837SS**  trans-121.9132167.600000107.8
417T53Low52.2Low210 Ų210167.1 Ų167.1100%1.28885%0.845SS**  trans-150.70162.749.80000106.7

Retrieved 417 of 417 residues in 1280.3 ms (Link to these results)