MEF2C_HUMAN Loading...

Isoform 4 of Myocyte-specific enhancer factor 2C AlphaSync

Canonical isoform description: Transcription activator which binds specifically to the MEF2 element present in the regulatory regions of many muscle-specific genes. Controls cardiac morphogenesis and myogenesis, and is also involved in vascular development. Enhances transcriptional activation mediated by SOX18. Plays an essential role in hippocampal-dependent learning and memory by suppressing the number of excitatory synapses and thus regulating basal and evoked synaptic transmission. Crucial for normal neuronal development, distribution, and electrical activity in the neocortex. Necessary for proper development of megakaryocytes and platelets and for bone marrow B-lymphopoiesis. Required for B-cell survival and proliferation in response to BCR stimulation, efficient IgG1 antibody responses to T-cell-dependent antigens and for normal induction of germinal center B-cells. May also be involved in neurogenesis and in the development of cortical architecture (By similarity). Isoforms that lack the repressor domain are more active than isoform 1.

AlphaFold DB , UniProt , Accession Q06413-4 (canonical: Q06413), Species HUMAN (Homo sapiens, Human), 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 62.4 ms (Link to these results)