MEF2C_HUMAN Loading...

Myocyte-specific enhancer factor 2C

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, Species HUMAN (Homo sapiens, Human), Gene MEF2C, Length 473 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
1M68.7Low92.8Very high230 Ų230151.2 Ų151.2100%1.13372%0.723SS**  0132.60-176.915969.900109.2
2G88Confident93.2Very high65 Ų65151.3 Ų151.367%0.6773%0.725SS**  trans-80.1173.9-173.200000115.5
3R91.5Very high93.6Very high257 Ų257145.5 Ų145.597%0.9770%0.701SS**  trans-71.9135.5172.4-58.6178.4-172.7170.74.1109.5
4K94.6Very high93.9Very high180 Ų180141.9 Ų141.978%0.78368%0.683SS**  trans-104.1148.6173.2-66.3-173.1177.3-175.10110.9
5K95.4Very high94.1Very high213 Ų213145.9 Ų145.993%0.92669%0.688SS**  trans-64.5141.8166.9-173176.3-178.6179.40108.9
6I95.4Very high94.3Very high93 Ų93142.9 Ų142.948%0.47768%0.677SS.*  trans-125.5153.5174.563.4169.6000110.1
7Q97Very high94.6Very high154 Ų154137.4 Ų137.472%0.7265%0.649SS**  trans-72.4158.3170.6-66.4176.6-10.100110.6T9Q7-T9 VanDerWaalsContact C-N 3.34Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 3.46Å
8I96.9Very high94.7Very high146 Ų146134.8 Ų134.875%0.74964%0.636SS**SBendtrans-90.975.1174.8-53-56.7000108.5
9T97.7Very high94.9Very high98 Ų98131.8 Ų131.860%0.60163%0.628SS**SBendtrans-135169.4178.754.40000110Q7 I11Q7-T9 VanDerWaalsContact C-N 3.34Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 3.46Å; T9-I11 PolarHBondContact O-N 3.18Å
10R97.7Very high95Very high175 Ų175127.1 Ų127.166%0.6661%0.608SS**  trans-64.3117.1177.7-176.7174.1-178.8157.9-0.5109.9M12R10-M12 HydrophobicContact CG-SD 4.46Å; R10-M12 PolarHBondContact O-N 3.05Å; R10-M12 VanDerWaalsContact O-N 3.16Å
11I98Very high95.2Very high52 Ų52123.4 Ų123.427%0.26759%0.589SS.*  trans-64.1116.7171.5-58.8174000107.8T9 N16 R17 T20T9-I11 PolarHBondContact O-N 3.18Å; I11-N16 HydrophobicContact CG2-CB 4.08Å; I11-R17 HydrophobicContact CB-CB 4.18Å; I11-R17 HydrophobicContact CG2-CB 4.09Å; I11-R17 PolarHBondContact O-NH1 2.89Å; I11-T20 HydrophobicContact CD1-CG2 3.75Å
12M97.9Very high96.6Very high152 Ų152115.8 Ų115.875%0.74956%0.556SS**  trans-76.5-44.2-172.6-64-57.6-72.600113.1R10 E14 R17R10-M12 HydrophobicContact CG-SD 4.46Å; R10-M12 PolarHBondContact O-N 3.05Å; R10-M12 VanDerWaalsContact O-N 3.16Å; M12-E14 PolarHBondContact O-N 2.88Å; M12-R17 PolarHBondContact O-NH1 3.17Å
13D97.5Very high97.1Very high76 Ų76120 Ų12041%0.40656%0.556SS.*SBendtrans-65.5126.7174165.445000111.7R15 N16 R17D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 3.07Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.28Å; D13-N16 PolarHBondContact OD2-N 3.14Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 PolarHBondContact O-N 2.74Å
14E97.8Very high97.4Very high96 Ų96114.6 Ų114.645%0.44954%0.535SS..Hα-helixtrans-64.5-38.3-179.8-171.365.2-83.300112.5M12 R17 Q18M12-E14 PolarHBondContact O-N 2.88Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 IonicContact OE1-CZ 2.68Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 2.88Å; E14-R17 PolarHBondContact OE1-NE 3.12Å; E14-R17 IonicContact OE1-NH2 2.81Å; E14-R17 PolarHBondContact OE1-NH2 3.4Å; E14-R17 IonicContact OE2-CZ 2.88Å; E14-R17 IonicContact OE2-NE 3.21Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 3.34Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.17Å
15R97.9Very high97.6Very high202 Ų202108.2 Ų108.276%0.76251%0.508SS*.Hα-helixtrans-65.7-49.5-176.3-174.1179.2-68.5179.2-0.6110.7D13 V19D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 3.07Å; R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.31Å; R15-V19 VanDerWaalsContact O-N 3.1Å
16N97.3Very high97.7Very high97 Ų97105 Ų10552%0.51949%0.494SS..Hα-helixtrans-66.9-34.9174.8-76.6-62.5000112.5I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.08Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.28Å; D13-N16 PolarHBondContact OD2-N 3.14Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 2.87Å; N16-T20 PolarHBondContact O-OG1 3.47Å
17R98.2Very high97.9Very high50 Ų50102.2 Ų102.219%0.18949%0.488CS..Hα-helixtrans-60.1-52.2173.4176165.659.6-125.89111.6I11 M12 D13 E14 T20 F21I11-R17 HydrophobicContact CB-CB 4.18Å; I11-R17 HydrophobicContact CG2-CB 4.09Å; I11-R17 PolarHBondContact O-NH1 2.89Å; M12-R17 PolarHBondContact O-NH1 3.17Å; D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 PolarHBondContact O-N 2.74Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 IonicContact OE1-CZ 2.68Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 2.88Å; E14-R17 PolarHBondContact OE1-NE 3.12Å; E14-R17 IonicContact OE1-NH2 2.81Å; E14-R17 PolarHBondContact OE1-NH2 3.4Å; E14-R17 IonicContact OE2-CZ 2.88Å; E14-R17 IonicContact OE2-NE 3.21Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 3.34Å; R17-T20 PolarHBondContact O-N 2.77Å; R17-F21 WeakPolarHBondContact O-CB 3.33Å; R17-F21 PolarHBondContact O-N 3Å
18Q98Very high98Very high91 Ų9199.1 Ų99.143%0.42548%0.476SS..Hα-helixtrans-66.2-39.7-179179.958.612.200112.8E14 T22E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.17Å; Q18-T22 WeakPolarHBondContact O-CB 3.41Å; Q18-T22 PolarHBondContact O-N 3.23Å; Q18-T22 PolarHBondContact O-OG1 3.07Å
19V97.7Very high98Very high78 Ų7893.4 Ų93.447%0.47345%0.446SS..Hα-helixtrans-65.2-41.2174.3171.60000111.1R15 K23R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.31Å; R15-V19 VanDerWaalsContact O-N 3.1Å; V19-K23 HydrophobicContact CG1-CD 4.13Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.38Å
20T97.7Very high98.1Very high37 Ų3794 Ų9423%0.22744%0.441CS..Hα-helixtrans-70-41.4178.4-59.50000111.6I11 N16 R17 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.75Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 2.87Å; N16-T20 PolarHBondContact O-OG1 3.47Å; R17-T20 PolarHBondContact O-N 2.77Å; T20-K23 PolarHBondContact O-N 3Å; T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CB 3.39Å; T20-R24 WeakPolarHBondContact O-CG 3.38Å; T20-R24 PolarHBondContact O-N 3.13Å
21F98.6Very high98.1Very high49 Ų4992 Ų9222%0.21544%0.437CS..Hα-helixtrans-56.9-53.7174.4176.5-102.2000110.8R17 K23 R24 K25 I47 N49 F55R17-F21 WeakPolarHBondContact O-CB 3.33Å; R17-F21 PolarHBondContact O-N 3Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3.24Å; F21-R24 PolarHBondContact O-N 3.27Å; F21-K25 HydrophobicContact CE1-CD 4.09Å; F21-K25 HydrophobicContact CZ-CD 4.04Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 3.37Å; F21-I47 HydrophobicContact CE2-CG2 3.85Å; F21-I47 HydrophobicContact CZ-CG2 4.09Å; F21-N49 HydrophobicContact CE1-CB 4.38Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; F21-F55 HydrophobicContact CE1-CD2 4.09Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.76Å; F21-F55 HydrophobicContact CZ-CD2 3.76Å; F21-F55 AromaticContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CG 4.46Å; F21-F55 HydrophobicContact CZ-CZ 4.46Å
22T98.1Very high98.2Very high71 Ų7190 Ų9044%0.43643%0.428SS..Hα-helixtrans-54.8-47.6179.8-55.60000111.7Q18 F26Q18-T22 WeakPolarHBondContact O-CB 3.41Å; Q18-T22 PolarHBondContact O-N 3.23Å; Q18-T22 PolarHBondContact O-OG1 3.07Å; T22-F26 PolarHBondContact O-N 2.7Å
23K97.8Very high98.2Very high154 Ų15489.4 Ų89.467%0.6742%0.418SS*.Hα-helixtrans-72-41.3-178.2-67.917967.9167.60113.2V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 4.13Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.38Å; T20-K23 PolarHBondContact O-N 3Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3.24Å; K23-G27 PolarHBondContact O-N 3.4Å
24R98.5Very high98.3Very high142 Ų14288.3 Ų88.354%0.53641%0.411SS..Hα-helixtrans-70.7-38.8178.2-74.3-170.1176.2-149.5-2.1112T20 F21 F26 G27 L28T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CB 3.39Å; T20-R24 WeakPolarHBondContact O-CG 3.38Å; T20-R24 PolarHBondContact O-N 3.13Å; F21-R24 PolarHBondContact O-N 3.27Å; R24-F26 PolarHBondContact O-N 3.38Å; R24-G27 PolarHBondContact O-N 3.2Å; R24-L28 WeakPolarHBondContact O-CB 3.22Å; R24-L28 PolarHBondContact O-N 2.68Å
25K98.5Very high98.3Very high47 Ų4788.2 Ų88.220%0.20441%0.413CS..Hα-helixtrans-57.5-49.3174.8-171-173.676.169.80111.2F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 4.09Å; F21-K25 HydrophobicContact CZ-CD 4.04Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 3.37Å; K25-L28 PolarHBondContact O-N 3.32Å; K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.94Å; K25-M29 PolarHBondContact NZ-SD 3.48Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.3Å; K25-M29 PolarHBondContact O-N 3.36Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.85Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CG 3.86Å
26F98.5Very high98.3Very high145 Ų14579.2 Ų79.264%0.63638%0.381SS*.Hα-helixtrans-64.2-42176.4-175.5-98.5000112.3T22 R24 L28 M29 K30T22-F26 PolarHBondContact O-N 2.7Å; R24-F26 PolarHBondContact O-N 3.38Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.2Å; F26-M29 PolarHBondContact O-N 3.32Å; F26-K30 PolarHBondContact O-N 3.35Å
27G98.6Very high98.4Very high34 Ų3479 Ų7935%0.35138%0.383SS..Hα-helixtrans-60.5-40.6175.100000113.4K23 R24 K30 K31K23-G27 PolarHBondContact O-N 3.4Å; R24-G27 PolarHBondContact O-N 3.2Å; G27-K30 PolarHBondContact O-N 2.93Å; G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 2.95Å; G27-K31 VanDerWaalsContact O-N 3.1Å
28L98.7Very high98.4Very high89 Ų8983.5 Ų83.547%0.46641%0.41SS..Hα-helixtrans-67.8-44.5176.5-177.560.9000111.7R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.22Å; R24-L28 PolarHBondContact O-N 2.68Å; K25-L28 PolarHBondContact O-N 3.32Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.2Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.18Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-K31 VanDerWaalsContact O-N 3.12Å; L28-A32 PolarHBondContact O-N 3.47Å; L28-L45 HydrophobicContact CD2-CD1 4.17Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.85Å; L28-I47 HydrophobicContact CD2-CD1 4.34Å
29M98.5Very high98.4Very high27 Ų2782.8 Ų82.813%0.13341%0.414CS..Hα-helixtrans-60.1-40.5174.3-71.6165.7165.900111.7K25 F26 K31 A32 Y33 L45 Y57K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.94Å; K25-M29 PolarHBondContact NZ-SD 3.48Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.3Å; K25-M29 PolarHBondContact O-N 3.36Å; F26-M29 PolarHBondContact O-N 3.32Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.21Å; M29-A32 PolarHBondContact O-N 2.81Å; M29-Y33 PolarHBondContact O-N 2.68Å; M29-L45 HydrophobicContact CG-CD2 4.25Å; M29-Y57 HydrophobicContact CG-CG 4.34Å
30K98.7Very high98.5Very high111 Ų11186.7 Ų86.748%0.48343%0.432SS..Hα-helixtrans-62.4-38.2173.8-169.5178.4-170.5-720112.2F26 G27 L28 E34F26-K30 PolarHBondContact O-N 3.35Å; G27-K30 PolarHBondContact O-N 2.93Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.18Å; K30-E34 IonicContact NZ-OE1 3.13Å; K30-E34 PolarHBondContact NZ-OE1 3.46Å; K30-E34 WeakPolarHBondContact O-CB 3.43Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.5Å
31K98.8Very high98.5Very high132 Ų13287.5 Ų87.557%0.57444%0.439SS*.Hα-helixtrans-71.2-36.2176.4-69.7-144.6140.7-630113.5G27 L28 M29 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 2.95Å; G27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-K31 VanDerWaalsContact O-N 3.12Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.21Å; K31-E34 IonicContact NZ-OE2 2.75Å; K31-E34 PolarHBondContact NZ-OE2 3.28Å; K31-E34 PolarHBondContact O-N 2.95Å; K31-L35 WeakPolarHBondContact O-CB 3.33Å; K31-L35 PolarHBondContact O-N 3.23Å
32A98.7Very high98.4Very high11 Ų1188.2 Ų88.29%0.09144%0.443CS..Hα-helixtrans-63.5-44.9172.700000110.8L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 3.47Å; M29-A32 PolarHBondContact O-N 2.81Å; A32-L35 PolarHBondContact O-N 3.05Å; A32-S36 PolarHBondContact O-N 2.97Å; A32-S36 PolarHBondContact O-OG 2.92Å; A32-I43 HydrophobicContact CB-CG2 4.2Å; A32-Y57 HydrophobicContact CB-CD1 3.88Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å
33Y98.6Very high98.5Very high138 Ų13886.5 Ų86.554%0.54143%0.431SS..Hα-helixtrans-57.6-51.6172169.9-96.3000112.5M29 L35 S36 V37 Y57M29-Y33 PolarHBondContact O-N 2.68Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.07Å; Y33-S36 WeakPolarHBondContact CA-OG 3.33Å; Y33-S36 PolarHBondContact O-N 3.45Å; Y33-S36 PolarHBondContact O-OG 3.02Å; Y33-V37 HydrophobicContact CD2-CG2 4.15Å; Y33-V37 HydrophobicContact CE2-CG2 3.77Å; Y33-V37 WeakPolarHBondContact O-CG2 3.5Å; Y33-V37 PolarHBondContact O-N 3.17Å; Y33-V37 VanDerWaalsContact O-N 3.08Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.29Å; Y33-Y57 PolarHBondContact N-OH 2.8Å
34E98.7Very high98.5Very high54 Ų5481 Ų8125%0.25241%0.414SS..Hα-helixtrans-51.9-48.3176-76.5162.8-176.200111.4K30 K31 L38K30-E34 IonicContact NZ-OE1 3.13Å; K30-E34 PolarHBondContact NZ-OE1 3.46Å; K30-E34 WeakPolarHBondContact O-CB 3.43Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.5Å; K31-E34 IonicContact NZ-OE2 2.75Å; K31-E34 PolarHBondContact NZ-OE2 3.28Å; K31-E34 PolarHBondContact O-N 2.95Å; E34-L38 VanDerWaalsContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.82Å
35L98.7Very high98.5Very high94 Ų9476 Ų7649%0.49240%0.398SS..Hα-helixtrans-67.6-42.8-179.8-175.961.3000112.6K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.33Å; K31-L35 PolarHBondContact O-N 3.23Å; A32-L35 PolarHBondContact O-N 3.05Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.07Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 2.87Å; L35-L38 PolarHBondContact O-N 2.94Å; L35-C39 HydrophobicContact CD1-CB 4.42Å; L35-C39 PolarHBondContact O-N 3.12Å; L35-C39 VanDerWaalsContact O-N 3.11Å; L35-I43 HydrophobicContact CB-CD1 4Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.94Å
36S98.4Very high98.5Very high12 Ų1277.8 Ų77.88%0.08441%0.409CS..Hα-helixtrans-61.4-37.917957.60000113.1A32 Y33 D40 C41 S59A32-S36 PolarHBondContact O-N 2.97Å; A32-S36 PolarHBondContact O-OG 2.92Å; Y33-S36 WeakPolarHBondContact CA-OG 3.33Å; Y33-S36 PolarHBondContact O-N 3.45Å; Y33-S36 PolarHBondContact O-OG 3.02Å; S36-D40 WeakPolarHBondContact O-CA 3.11Å; S36-D40 PolarHBondContact O-N 2.9Å; S36-C41 WeakPolarHBondContact CA-O 3.38Å; S36-C41 WeakPolarHBondContact CB-O 3.4Å; S36-C41 PolarHBondContact O-N 3.06Å; S36-S59 WeakPolarHBondContact OG-CB 3.24Å
37V98.5Very high98.5Very high92 Ų9272.3 Ų72.356%0.55839%0.386SS*.Hα-helixtrans-81-35.6-178.6175.20000112Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.15Å; Y33-V37 HydrophobicContact CE2-CG2 3.77Å; Y33-V37 WeakPolarHBondContact O-CG2 3.5Å; Y33-V37 PolarHBondContact O-N 3.17Å; Y33-V37 VanDerWaalsContact O-N 3.08Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 2.87Å
38L98.7Very high98.5Very high145 Ų14576.9 Ų76.976%0.75940%0.396SS*.Hα-helixtrans-77.6-22.9-179-71.1171.4000113.8E34 L35E34-L38 VanDerWaalsContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.82Å; L35-L38 PolarHBondContact O-N 2.94Å
39C98.5Very high98.4Very high77 Ų7773.9 Ų73.952%0.5238%0.381SS..THydrogen-bonded Turntrans-12813.8-173.1-57.70000113.9L35 C41L35-C39 HydrophobicContact CD1-CB 4.42Å; L35-C39 PolarHBondContact O-N 3.12Å; L35-C39 VanDerWaalsContact O-N 3.11Å; C39-C41 VanDerWaalsContact C-N 3.34Å; C39-C41 PolarHBondContact O-N 3.34Å; C39-C41 PolarHBondContact O-SG 3.21Å
40D98.3Very high98.3Very high160 Ų16076.4 Ų76.486%0.85640%0.401SS*.THydrogen-bonded Turntrans46.651.6-176.8-161.324.5000113.5S36S36-D40 WeakPolarHBondContact O-CA 3.11Å; S36-D40 PolarHBondContact O-N 2.9Å
41C97.3Very high98.2Very high53 Ų5375.6 Ų75.636%0.35841%0.406SS..  trans-111.3128.5-169.5-77.80000113.1S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.38Å; S36-C41 WeakPolarHBondContact CB-O 3.4Å; S36-C41 PolarHBondContact O-N 3.06Å; C39-C41 VanDerWaalsContact C-N 3.34Å; C39-C41 PolarHBondContact O-N 3.34Å; C39-C41 PolarHBondContact O-SG 3.21Å; C41-I43 HydrophobicContact CB-CD1 4.29Å; C41-I43 HydrophobicContact CB-CG1 4.18Å; C41-I43 PolarHBondContact O-N 3.16Å; C41-S59 PolarHBondContact O-OG 3.24Å; C41-S59 VanDerWaalsContact O-OG 3.07Å
42E98.1Very high98.1Very high64 Ų6475.9 Ų75.930%0.29941%0.413SS..  trans-75.5118.4167-66.3-169.9120.900110.1K64 V65 K68E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.46Å; E42-V65 HydrophobicContact CB-CG2 4.21Å; E42-K68 IonicContact OE2-NZ 3.31Å; E42-K68 PolarHBondContact OE2-NZ 3.18Å
43I98.4Very high98.1Very high35 Ų3581.5 Ų81.518%0.17944%0.436CS..  trans-130.4125.9-175-60.4176000108.7A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.2Å; L35-I43 HydrophobicContact CB-CD1 4Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.94Å; C41-I43 HydrophobicContact CB-CD1 4.29Å; C41-I43 HydrophobicContact CB-CG1 4.18Å; C41-I43 PolarHBondContact O-N 3.16Å; I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.22Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; I43-S59 PolarHBondContact N-OG 2.69Å; I43-S59 PolarHBondContact O-N 3.08Å
44A98.5Very high98.1Very high40 Ų4079 Ų7933%0.33143%0.431SS..EExtended strand (participates in β ladder)trans-110.6144.4165.900000110.5M62 V65A44-M62 HydrophobicContact CB-CE 4.49Å; A44-M62 HydrophobicContact CB-SD 4.01Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.62Å
45L98.5Very high98.1Very high36 Ų3679.5 Ų79.519%0.18843%0.433CS..EExtended strand (participates in β ladder)trans-139.6118-179.7174.462.3000109.8L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.17Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.85Å; M29-L45 HydrophobicContact CG-CD2 4.25Å; L45-I47 HydrophobicContact CD1-CD1 4.33Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.15Å; L45-Y57 HydrophobicContact CB-CD1 4.28Å; L45-Y57 PolarHBondContact N-O 3.33Å; L45-Y57 PolarHBondContact O-N 3.31Å
46I98.6Very high98.1Very high84 Ų8479.8 Ų79.843%0.43143%0.431SS..EExtended strand (participates in β ladder)trans-113.5130.4179.2-66.7174000108.9F48 L54 L66I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.35Å; I46-L54 HydrophobicContact CG2-CD1 3.84Å; I46-L66 HydrophobicContact CD1-CD2 4.27Å
47I98.6Very high98.1Very high31 Ų3181.3 Ų81.316%0.15944%0.436CS..EExtended strand (participates in β ladder)trans-135.7112.8-179.2-57171.2000109.3F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.85Å; F21-I47 HydrophobicContact CZ-CG2 4.09Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.34Å; L45-I47 HydrophobicContact CD1-CD1 4.33Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; I47-F55 HydrophobicContact CB-CB 4.43Å; I47-F55 PolarHBondContact N-O 3.04Å; I47-F55 PolarHBondContact O-N 3.29Å
48F98.6Very high98.1Very high130 Ų13077.9 Ų77.957%0.5742%0.417SS*.EExtended strand (participates in β ladder)trans-90.9135.8163.7-65.5-82.5000109.8I46 L54I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.35Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.49Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 4.01Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å
49N96.8Very high98.1Very high25 Ų2572.8 Ų72.813%0.13439%0.393CS..  trans-87.9176.1170.987.7-28.3000111.5F21 T51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.38Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; N49-T51 PolarHBondContact ND2-OG1 3.32Å; N49-T51 PolarHBondContact O-N 3.4Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.28Å; N49-T51 WeakPolarHBondContact OD1-CB 3.37Å; N49-T51 PolarHBondContact OD1-N 2.91Å; N49-N52 PolarHBondContact O-N 2.77Å; N49-N52 PolarHBondContact OD1-N 2.71Å; N49-K53 PolarHBondContact N-O 2.59Å; N49-K53 VanDerWaalsContact N-O 3.12Å; N49-K53 WeakPolarHBondContact OD1-CB 3.48Å; N49-K53 PolarHBondContact OD1-N 2.72Å; N49-F55 HydrophobicContact CB-CE2 4.12Å
50S96Very high98Very high81 Ų8172.1 Ų72.157%0.56639%0.387SS*.THydrogen-bonded Turntrans-68.814.1175.658.10000115.4
51T96.7Very high97.9Very high94 Ų9469.7 Ų69.758%0.57737%0.374SS*.THydrogen-bonded Turntrans-126.117.7171.9-29.50000110.2N49 K53N49-T51 PolarHBondContact ND2-OG1 3.32Å; N49-T51 PolarHBondContact O-N 3.4Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.28Å; N49-T51 WeakPolarHBondContact OD1-CB 3.37Å; N49-T51 PolarHBondContact OD1-N 2.91Å; T51-K53 PolarHBondContact O-N 3.26Å
52N97.4Very high98Very high137 Ų13768.1 Ų68.173%0.73336%0.362SS*.  trans53.821.7-176.3-57.4-15.5000114.7N49 L54N49-N52 PolarHBondContact O-N 2.77Å; N49-N52 PolarHBondContact OD1-N 2.71Å; N52-L54 PolarHBondContact O-N 3.14Å
53K98.2Very high98Very high130 Ų13071.2 Ų71.257%0.56538%0.38SS*.  trans-78.3122173.3-63-171.1177.8-171.20109.4N49 T51 F55N49-K53 PolarHBondContact N-O 2.59Å; N49-K53 VanDerWaalsContact N-O 3.12Å; N49-K53 WeakPolarHBondContact OD1-CB 3.48Å; N49-K53 PolarHBondContact OD1-N 2.72Å; T51-K53 PolarHBondContact O-N 3.26Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.46Å; K53-F55 WeakPolarHBondContact O-CD2 3.47Å; K53-F55 WeakPolarHBondContact O-CE2 3.41Å
54L98.4Very high97.9Very high84 Ų8474.8 Ų74.844%0.4439%0.394SS..EExtended strand (participates in β ladder)trans-70.8134.3174.2176.959.5000111I46 F48 N52 Q56I46-L54 HydrophobicContact CG2-CD1 3.84Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.49Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 4.01Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å; N52-L54 PolarHBondContact O-N 3.14Å; L54-Q56 HydrophobicContact CD1-CB 4.49Å
55F98.5Very high97.9Very high65 Ų6573.8 Ų73.829%0.28538%0.384SS..EExtended strand (participates in β ladder)trans-130.4129.4162.6-57.4-95.7000107.6F21 K25 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.09Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.76Å; F21-F55 HydrophobicContact CZ-CD2 3.76Å; F21-F55 AromaticContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CG 4.46Å; F21-F55 HydrophobicContact CZ-CZ 4.46Å; K25-F55 HydrophobicContact CD-CB 3.85Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CG 3.86Å; I47-F55 HydrophobicContact CB-CB 4.43Å; I47-F55 PolarHBondContact N-O 3.04Å; I47-F55 PolarHBondContact O-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.12Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.46Å; K53-F55 WeakPolarHBondContact O-CD2 3.47Å; K53-F55 WeakPolarHBondContact O-CE2 3.41Å
56Q98.4Very high97.9Very high100 Ų10075.2 Ų75.247%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-127.9160.9-175.980-166.653.100112.3L45 L54 M62L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.15Å; L54-Q56 HydrophobicContact CD1-CB 4.49Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.88Å
57Y98.7Very high97.8Very high45 Ų4576.3 Ų76.318%0.17640%0.398CS..EExtended strand (participates in β ladder)trans-149.9140.9169.5164-93.1000108.9M29 A32 Y33 L45 S59 M62M29-Y57 HydrophobicContact CG-CG 4.34Å; A32-Y57 HydrophobicContact CB-CD1 3.88Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.29Å; Y33-Y57 PolarHBondContact N-OH 2.8Å; L45-Y57 HydrophobicContact CB-CD1 4.28Å; L45-Y57 PolarHBondContact N-O 3.33Å; L45-Y57 PolarHBondContact O-N 3.31Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.19Å
58A98.5Very high97.7Very high19 Ų1978.6 Ų78.616%0.15741%0.407CS..EExtended strand (participates in β ladder)trans-129.9152.8163.600000109.1I43 T60 M62I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.22Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; A58-T60 VanDerWaalsContact CB-O 3.23Å; A58-T60 WeakPolarHBondContact CB-O 3.48Å; A58-M62 HydrophobicContact CB-CB 4.41Å; A58-M62 HydrophobicContact CB-CE 3.99Å
59S98.2Very high97.7Very high38 Ų3880.3 Ų80.327%0.26641%0.41SS..SBendtrans-75.3-28.1169.656.10000112.5S36 C41 I43 Y57S36-S59 WeakPolarHBondContact OG-CB 3.24Å; C41-S59 PolarHBondContact O-OG 3.24Å; C41-S59 VanDerWaalsContact O-OG 3.07Å; I43-S59 PolarHBondContact N-OG 2.69Å; I43-S59 PolarHBondContact O-N 3.08Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å
60T96.6Very high97.7Very high64 Ų6484.1 Ų84.139%0.39344%0.435SS..SBendtrans-121.7-135.2169.656.80000109A58A58-T60 VanDerWaalsContact CB-O 3.23Å; A58-T60 WeakPolarHBondContact CB-O 3.48Å
61D97.3Very high97.7Very high109 Ų10986.3 Ų86.358%0.58344%0.436SS*.  trans-86.7132.1179-54.1-77.7000111.6D63 K64 V65D61-D63 PolarHBondContact O-N 3.35Å; D61-K64 HydrophobicContact CB-CB 3.94Å; D61-K64 PolarHBondContact O-N 2.91Å; D61-V65 PolarHBondContact O-N 3.38Å
62M98.2Very high97.6Very high20 Ų2089 Ų8910%0.09944%0.437CS..Hα-helixtrans-57.3-49.1-179.4-178.762.160.800111.8A44 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-CE 4.49Å; A44-M62 HydrophobicContact CB-SD 4.01Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.88Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.19Å; A58-M62 HydrophobicContact CB-CB 4.41Å; A58-M62 HydrophobicContact CB-CE 3.99Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 3.43Å; M62-V65 PolarHBondContact O-N 2.98Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.27Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.92Å; M62-L66 HydrophobicContact SD-CG 4.04Å
63D97.9Very high97.3Very high129 Ų12990.8 Ų90.869%0.6945%0.447SS*.Hα-helixtrans-67.3-31.2-174.3-51.6-42.2000111.6D61 L67D61-D63 PolarHBondContact O-N 3.35Å; D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.33Å
64K97.8Very high97Very high109 Ų10992.3 Ų92.347%0.47446%0.456SS..Hα-helixtrans-64.8-47.4173.4-173-161.4179.3-158.30111.4E42 D61 M62 K68E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.46Å; D61-K64 HydrophobicContact CB-CB 3.94Å; D61-K64 PolarHBondContact O-N 2.91Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 3.43Å; K64-K68 WeakPolarHBondContact O-CB 3.31Å; K64-K68 PolarHBondContact O-N 3.47Å
65V98.1Very high96.9Very high19 Ų1991.6 Ų91.612%0.11546%0.456CS..Hα-helixtrans-70.4-33.9-179.6-1770000111.3E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.21Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.62Å; D61-V65 PolarHBondContact O-N 3.38Å; M62-V65 PolarHBondContact O-N 2.98Å; V65-Y69 WeakPolarHBondContact O-CB 3.41Å; V65-Y69 PolarHBondContact O-N 3.45Å
66L97.8Very high96.7Very high66 Ų6698 Ų9835%0.34649%0.486SS..Hα-helixtrans-72.3-39.8174.8-68.2178.7000112.9I46 M62 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.27Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.27Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.92Å; M62-L66 HydrophobicContact SD-CG 4.04Å; L66-Y69 WeakPolarHBondContact O-CB 3.43Å; L66-Y69 PolarHBondContact O-N 3.12Å; L66-T70 PolarHBondContact O-N 2.89Å; L66-T70 VanDerWaalsContact O-N 3.07Å
67L97.3Very high96.6Very high107 Ų10799.1 Ų99.156%0.5649%0.492SS*.Hα-helixtrans-60.4-49.5172.7179.162.2000110.4D63 Y69 T70 E71D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.33Å; L67-Y69 VanDerWaalsContact C-N 3.28Å; L67-Y69 PolarHBondContact O-N 2.98Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 PolarHBondContact O-OG1 3.38Å; L67-E71 PolarHBondContact O-N 3.11Å
68K97.1Very high96.5Very high80 Ų80101.1 Ų101.135%0.34851%0.512SS..Hα-helixtrans-55.5-42.2173.4-170-175-170.8-176.10111.8E42 K64 T70 E71 Y72E42-K68 IonicContact OE2-NZ 3.31Å; E42-K68 PolarHBondContact OE2-NZ 3.18Å; K64-K68 WeakPolarHBondContact O-CB 3.31Å; K64-K68 PolarHBondContact O-N 3.47Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 3.05Å; K68-E71 WeakPolarHBondContact O-CB 3.33Å; K68-E71 PolarHBondContact O-N 2.83Å; K68-E71 VanDerWaalsContact O-N 3.13Å; K68-Y72 HydrophobicContact CG-CE2 4.16Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.48Å
69Y97.3Very high96.4Very high165 Ų165107.2 Ų107.265%0.64753%0.531SS*.Hα-helixtrans-60.3-37.8175.5175.5-104.9000112.6V65 L66 L67 E71 Y72V65-Y69 WeakPolarHBondContact O-CB 3.41Å; V65-Y69 PolarHBondContact O-N 3.45Å; L66-Y69 WeakPolarHBondContact O-CB 3.43Å; L66-Y69 PolarHBondContact O-N 3.12Å; L67-Y69 VanDerWaalsContact C-N 3.28Å; L67-Y69 PolarHBondContact O-N 2.98Å; Y69-E71 VanDerWaalsContact C-N 3.27Å; Y69-E71 PolarHBondContact O-N 3.49Å; Y69-Y72 PolarHBondContact O-N 2.93Å
70T96.4Very high96.4Very high106 Ų106108.9 Ų108.965%0.6554%0.539SS*.Hα-helixtrans-73.4-10.9176.155.60000115.1L66 L67 K68L66-T70 PolarHBondContact O-N 2.89Å; L66-T70 VanDerWaalsContact O-N 3.07Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 PolarHBondContact O-OG1 3.38Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 3.05Å
71E96.8Very high96.5Very high127 Ų127112.3 Ų112.359%0.59356%0.556SS**Hα-helixtrans-82.7-16174.2-65.9166.9175.400112.7L67 K68 Y69L67-E71 PolarHBondContact O-N 3.11Å; K68-E71 WeakPolarHBondContact O-CB 3.33Å; K68-E71 PolarHBondContact O-N 2.83Å; K68-E71 VanDerWaalsContact O-N 3.13Å; Y69-E71 VanDerWaalsContact C-N 3.27Å; Y69-E71 PolarHBondContact O-N 3.49Å
72Y94.1Very high96.5Very high151 Ų151111.2 Ų111.259%0.59256%0.556SS**  trans-102.7118.2-178.5-75-112.2000110.9K68 Y69 E74K68-Y72 HydrophobicContact CG-CE2 4.16Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.48Å; Y69-Y72 PolarHBondContact O-N 2.93Å; Y72-E74 VanDerWaalsContact C-N 3.35Å; Y72-E74 PolarHBondContact O-N 3.18Å
73N91.1Very high96.4Very high174 Ų174112.8 Ų112.893%0.9357%0.565SS**SBendtrans-70.1-28.3179.1-61.3-76000113.6
74E92.7Very high96.4Very high162 Ų162110.7 Ų110.776%0.75755%0.553SS**SBendtrans-144.8134.9-177.7-169.5174.618000110.8Y72Y72-E74 VanDerWaalsContact C-N 3.35Å; Y72-E74 PolarHBondContact O-N 3.18Å
75P95.1Very high96.3Very high68 Ų68109.3 Ų109.344%0.44255%0.554SS.*  trans-81.4134.8176.232.4-34.6000112E77P75-E77 PolarHBondContact O-N 3.03Å
76H94.9Very high96.2Very high201 Ų201114 Ų11493%0.93157%0.574SS**SBendtrans-55.4-34.2176.8177.4-80.7000113.8
77E97Very high96.1Very high123 Ų123113.7 Ų113.758%0.57558%0.575SS**SBendtrans-139.5129.5168.4-175.5174.6-179.400109.4P75 R79P75-E77 PolarHBondContact O-N 3.03Å; E77-R79 HydrophobicContact CG-CG 4.28Å; E77-R79 IonicContact OE1-CZ 3.23Å; E77-R79 IonicContact OE1-NE 2.68Å; E77-R79 PolarHBondContact OE1-NE 2.75Å; E77-R79 IonicContact OE1-NH2 2.75Å; E77-R79 PolarHBondContact OE1-NH2 3.38Å
78S96Very high95.9Very high86 Ų86114.1 Ų114.160%0.60158%0.577SS**  trans-118.9139.8172.2-171.90000109.9
79R97.3Very high95.8Very high147 Ų147117.5 Ų117.556%0.55559%0.588SS**  trans-141.3131.7-179.9-64.7-64.3-178.8-159.5-6.6111.1E77E77-R79 HydrophobicContact CG-CG 4.28Å; E77-R79 IonicContact OE1-CZ 3.23Å; E77-R79 IonicContact OE1-NE 2.68Å; E77-R79 PolarHBondContact OE1-NE 2.75Å; E77-R79 IonicContact OE1-NH2 2.75Å; E77-R79 PolarHBondContact OE1-NH2 3.38Å
80T98.2Very high95.6Very high73 Ų73116.1 Ų116.145%0.44859%0.585SS.*  trans-106176.7171.678.80000110.8S82 D83 I84T80-S82 PolarHBondContact O-N 3.42Å; T80-S82 WeakPolarHBondContact OG1-CB 3.23Å; T80-S82 PolarHBondContact OG1-N 3.45Å; T80-S82 VanDerWaalsContact OG1-N 3.14Å; T80-D83 WeakPolarHBondContact CA-OD2 3.39Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 2.87Å; T80-D83 PolarHBondContact O-N 2.83Å; T80-D83 PolarHBondContact OG1-OD2 2.59Å; T80-I84 WeakPolarHBondContact O-CG1 3.4Å; T80-I84 PolarHBondContact O-N 3.27Å
81N97.6Very high95.3Very high137 Ų137119 Ų11973%0.73359%0.589SS**Hα-helixtrans-58.7-30.2171.8-69.5-34.9000112.6V85N81-V85 WeakPolarHBondContact O-CB 3.27Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.15Å; N81-V85 PolarHBondContact O-N 2.85Å
82S97.8Very high93.9Very high85 Ų85115.9 Ų115.959%0.59459%0.591SS**Hα-helixtrans-67.1-48-179.9-58.10000111.5T80 I84 V85 E86T80-S82 PolarHBondContact O-N 3.42Å; T80-S82 WeakPolarHBondContact OG1-CB 3.23Å; T80-S82 PolarHBondContact OG1-N 3.45Å; T80-S82 VanDerWaalsContact OG1-N 3.14Å; S82-I84 VanDerWaalsContact C-N 3.3Å; S82-I84 PolarHBondContact O-N 2.91Å; S82-V85 PolarHBondContact O-N 3.23Å; S82-E86 PolarHBondContact O-N 2.8Å
83D97.2Very high92Very high54 Ų54115.7 Ų115.729%0.28960%0.599SS.*Hα-helixtrans-61.6-39.3179.4-49-88.7000111.7T80 E86 T87T80-D83 WeakPolarHBondContact CA-OD2 3.39Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 2.87Å; T80-D83 PolarHBondContact O-N 2.83Å; T80-D83 PolarHBondContact OG1-OD2 2.59Å; D83-E86 PolarHBondContact O-N 3.1Å; D83-T87 VanDerWaalsContact O-CB 3.29Å; D83-T87 WeakPolarHBondContact O-CB 3.34Å; D83-T87 PolarHBondContact O-N 3.37Å; D83-T87 PolarHBondContact O-OG1 2.82Å
84I96.6Very high90.2Very high85 Ų85112.3 Ų112.344%0.43658%0.581SS.*Hα-helixtrans-67.1-44.5176.9-63.8167.1000110.2T80 S82 T87 L88T80-I84 WeakPolarHBondContact O-CG1 3.4Å; T80-I84 PolarHBondContact O-N 3.27Å; S82-I84 VanDerWaalsContact C-N 3.3Å; S82-I84 PolarHBondContact O-N 2.91Å; I84-T87 PolarHBondContact O-N 3.03Å; I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 WeakPolarHBondContact O-CB 3.32Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.33Å
85V95.8Very high88.1Confident80 Ų80107.8 Ų107.849%0.48558%0.578SS.*Hα-helixtrans-67.3-35177.2167.70000111.8N81 S82 R89N81-V85 WeakPolarHBondContact O-CB 3.27Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.15Å; N81-V85 PolarHBondContact O-N 2.85Å; S82-V85 PolarHBondContact O-N 3.23Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.4Å; V85-R89 PolarHBondContact O-N 2.75Å; V85-R89 PolarHBondContact O-NE 3.3Å
86E96.2Very high85.6Confident118 Ų118110.8 Ų110.855%0.55160%0.599SS**Hα-helixtrans-67.3-48.2171.6-170168142.100112.4S82 D83 L88 R89 K90S82-E86 PolarHBondContact O-N 2.8Å; D83-E86 PolarHBondContact O-N 3.1Å; E86-L88 PolarHBondContact O-N 2.83Å; E86-R89 PolarHBondContact O-N 3.31Å; E86-R89 IonicContact OE2-NH2 2.71Å; E86-K90 PolarHBondContact O-N 3.42Å
87T95.6Very high83.1Confident58 Ų58108.1 Ų108.136%0.35659%0.592SS.*Hα-helixtrans-56.8-40.2176.8-59.80000111.6D83 I84 K91D83-T87 VanDerWaalsContact O-CB 3.29Å; D83-T87 WeakPolarHBondContact O-CB 3.34Å; D83-T87 PolarHBondContact O-N 3.37Å; D83-T87 PolarHBondContact O-OG1 2.82Å; I84-T87 PolarHBondContact O-N 3.03Å; T87-K91 HydrophobicContact CG2-CD 4.08Å; T87-K91 WeakPolarHBondContact O-CB 3.31Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.21Å; T87-K91 PolarHBondContact O-N 3.28Å
88L94.3Very high81.1Confident117 Ų117107.2 Ų107.261%0.61360%0.599SS**Hα-helixtrans-70-34175.9-71.9170.7000113.2I84 E86 G92I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 WeakPolarHBondContact O-CB 3.32Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.33Å; E86-L88 PolarHBondContact O-N 2.83Å; L88-G92 PolarHBondContact O-N 3.26Å
89R93.7Very high79Confident151 Ų151108.9 Ų108.957%0.5761%0.607SS**Hα-helixtrans-69-47.2173-74.6176.9-64.4156.25.3111.3V85 E86 G92 L93V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.4Å; V85-R89 PolarHBondContact O-N 2.75Å; V85-R89 PolarHBondContact O-NE 3.3Å; E86-R89 PolarHBondContact O-N 3.31Å; E86-R89 IonicContact OE2-NH2 2.71Å; R89-G92 WeakPolarHBondContact O-CA 3.35Å; R89-G92 PolarHBondContact O-N 3.05Å; R89-L93 PolarHBondContact O-N 3.1Å
90K93.8Very high76.8Confident136 Ų136108.8 Ų108.859%0.59162%0.618SS**Hα-helixtrans-60.2-48.9177.5-169.6172.5-177.5172.70111.3E86 G92 L93 N94E86-K90 PolarHBondContact O-N 3.42Å; K90-G92 PolarHBondContact O-N 3.5Å; K90-G92 VanDerWaalsContact O-N 3.11Å; K90-L93 PolarHBondContact O-N 2.88Å; K90-N94 WeakPolarHBondContact CG-OD1 3.17Å; K90-N94 WeakPolarHBondContact O-CB 3.23Å; K90-N94 PolarHBondContact O-N 3.18Å; K90-N94 PolarHBondContact O-OD1 2.84Å
91K88.8Confident74.8Confident165 Ų165110.8 Ų110.872%0.71763%0.632SS**THydrogen-bonded Turntrans-64.7-12.8173.2-69.1-179.5-179.9-1760114.1T87T87-K91 HydrophobicContact CG2-CD 4.08Å; T87-K91 WeakPolarHBondContact O-CB 3.31Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.21Å; T87-K91 PolarHBondContact O-N 3.28Å
92G67.9Low72.4Confident62 Ų62111.2 Ų111.264%0.63964%0.635SS**THydrogen-bonded Turntrans-86-12.1172.200000114.9L88 R89 K90L88-G92 PolarHBondContact O-N 3.26Å; R89-G92 WeakPolarHBondContact O-CA 3.35Å; R89-G92 PolarHBondContact O-N 3.05Å; K90-G92 PolarHBondContact O-N 3.5Å; K90-G92 VanDerWaalsContact O-N 3.11Å
93L55.8Low70.5Confident148 Ų148111.7 Ų111.778%0.77564%0.643SS**THydrogen-bonded Turntrans-115.6-34.8174.4-89.877.6000113R89 K90 G95R89-L93 PolarHBondContact O-N 3.1Å; K90-L93 PolarHBondContact O-N 2.88Å; L93-G95 PolarHBondContact O-N 3.43Å
94N51.3Low68.1Low103 Ų103116.6 Ų116.655%0.55167%0.67SS**  trans-77.642.2-174.9-70.476.4000114.1K90K90-N94 WeakPolarHBondContact CG-OD1 3.17Å; K90-N94 WeakPolarHBondContact O-CB 3.23Å; K90-N94 PolarHBondContact O-N 3.18Å; K90-N94 PolarHBondContact O-OD1 2.84Å
95G49.8Very low65.9Low66 Ų66119.2 Ų119.268%0.6868%0.684SS**SBendtrans-98106.2163.900000108.9L93L93-G95 PolarHBondContact O-N 3.43Å
96C42.7Very low63.8Low132 Ų132119.7 Ų119.789%0.89269%0.692SS**SBendtrans71.777-169.4-168.20000114.5
97D41.8Very low61.5Low145 Ų145121.2 Ų121.278%0.77571%0.708SS**  -150.6138.5127-16340.8000109.3
98S54.5Low59Low103 Ų103121.9 Ų121.972%0.7273%0.727SS**  trans-133.8122.4-179-173.60000108.5D100S98-D100 PolarHBondContact O-N 2.81Å; S98-D100 VanDerWaalsContact O-N 3.13Å
99P53Low56.4Low121 Ų121125.4 Ų125.479%0.78674%0.74SS**  trans-76.5106-172.430.2-33.8000110.8
100D51.6Low53.9Low146 Ų146122.8 Ų122.878%0.78175%0.745SS**  trans-100.1115.8166.9-145.2-4.7000108.1S98 D102S98-D100 PolarHBondContact O-N 2.81Å; S98-D100 VanDerWaalsContact O-N 3.13Å; D100-D102 PolarHBondContact O-N 2.74Å
101P54.4Low51.8Low114 Ų114119.8 Ų119.874%0.7474%0.74SS**  trans-97.752.3-160.139.2-38.3000114.2
102D48.5Very low49.9Very low147 Ų147119.9 Ų119.979%0.78674%0.742SS**  trans-135.1148.1-176.4-94.6-55.8000114.8D100D100-D102 PolarHBondContact O-N 2.74Å
103A57.3Low49.5Very low94 Ų94121.1 Ų121.178%0.77774%0.742SS**  trans58.397.3162.800000121
104D47.5Very low49.4Very low157 Ų157119.5 Ų119.584%0.8473%0.73SS**  40.9144.8120.4-123.2-79.3000124.4
105D49.8Very low50Low140 Ų140118.5 Ų118.575%0.74973%0.725SS**  trans71.8141161.5-136.2-27.2000122.5
106S51.5Low50.5Low91 Ų91122.5 Ų122.564%0.63672%0.723SS**  trans54107.4153.2-75.60000124.1
107V48.7Very low51.6Low149 Ų149124.8 Ų124.890%0.90371%0.714SS**  46.6105.2124-173.60000118.2
108G42.4Very low53Low73 Ų73123 Ų12375%0.75370%0.697SS**  trans-163.433.1178.100000118.8S110G108-S110 PolarHBondContact O-N 3.16Å
109H39.3Very low54Low190 Ų190124.8 Ų124.888%0.8869%0.691SS**  trans-65.4117.9171.1-80.4-74.2000111.2P111H109-P111 WeakPolarHBondContact O-CD 3.42Å
110S40.6Very low55.2Low96 Ų96122.9 Ų122.967%0.67167%0.674SS**  trans-97109.5168.6-178.20000110.8G108G108-S110 PolarHBondContact O-N 3.16Å
111P50.7Low56.5Low74 Ų74120.5 Ų120.548%0.48166%0.661SS.*  trans-102.88.5-1735.817.4000114.2H109 S113 E114H109-P111 WeakPolarHBondContact O-CD 3.42Å; P111-S113 PolarHBondContact O-N 3.18Å; P111-E114 PolarHBondContact O-N 3.2Å; P111-E114 VanDerWaalsContact O-N 3.11Å
112E48.8Very low57.7Low166 Ų166120.6 Ų120.678%0.77665%0.652SS**THydrogen-bonded Turntrans-62.2-9.5-161.6-64.1-166.2101.400116.6
113S58.6Low59.4Low89 Ų89117.4 Ų117.462%0.62264%0.635SS**THydrogen-bonded Turntrans-88-30.7176.861.80000113.8P111 Y117P111-S113 PolarHBondContact O-N 3.18Å; S113-Y117 VanDerWaalsContact O-CD2 3.28Å; S113-Y117 WeakPolarHBondContact O-CD2 3.29Å
114E55.1Low60.6Low114 Ų114117 Ų11753%0.53362%0.618SS.*Hα-helixtrans-84.7-41-167.5-159.4178.397.600112.4P111 K116 Y117 R118P111-E114 PolarHBondContact O-N 3.2Å; P111-E114 VanDerWaalsContact O-N 3.11Å; E114-K116 PolarHBondContact O-N 3.07Å; E114-Y117 PolarHBondContact O-N 2.95Å; E114-R118 PolarHBondContact O-N 2.84Å; E114-R118 VanDerWaalsContact O-N 3.08Å; E114-R118 IonicContact OE1-CZ 3.55Å; E114-R118 IonicContact OE1-NH1 2.69Å; E114-R118 PolarHBondContact OE1-NH1 3.49Å; E114-R118 IonicContact OE1-NH2 3.89Å; E114-R118 PolarHBondContact OE1-NH2 2.7Å
115D62.8Low62.2Low82 Ų82113.8 Ų113.844%0.43960%0.602SS.*Hα-helixtrans-65.5-25.6177.8-66.6-40000112.6Y117 R118 K119D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.27Å; D115-R118 PolarHBondContact O-N 3.07Å; D115-R118 IonicContact OD1-CZ 2.72Å; D115-R118 IonicContact OD1-NE 3.63Å; D115-R118 PolarHBondContact OD1-NE 2.84Å; D115-R118 IonicContact OD1-NH2 2.59Å; D115-R118 PolarHBondContact OD1-NH2 2.91Å; D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 2.74Å
116K61Low63.7Low150 Ų150112.3 Ų112.365%0.65259%0.593SS**Hα-helixtrans-65.1-33.9172.8-165.7170.1-174.6172.90112.1E114 I120E114-K116 PolarHBondContact O-N 3.07Å; K116-I120 HydrophobicContact CG-CD1 4.36Å; K116-I120 VanDerWaalsContact O-CD1 3.29Å; K116-I120 WeakPolarHBondContact O-CD1 3.24Å; K116-I120 VanDerWaalsContact O-CG1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.28Å; K116-I120 PolarHBondContact O-N 3.03Å
117Y65.9Low65Low179 Ų179112.9 Ų112.970%0.70259%0.587SS**Hα-helixtrans-81.4-35.3174.1-72-74.8000112.6S113 E114 D115 K119 I120 N121S113-Y117 VanDerWaalsContact O-CD2 3.28Å; S113-Y117 WeakPolarHBondContact O-CD2 3.29Å; E114-Y117 PolarHBondContact O-N 2.95Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.27Å; Y117-K119 PolarHBondContact O-N 2.96Å; Y117-I120 PolarHBondContact O-N 3.42Å; Y117-N121 PolarHBondContact O-N 3.22Å
118R71.9Confident66.4Low109 Ų109109.5 Ų109.541%0.41156%0.563SS.*Hα-helixtrans-56-49.2170.1-83.9-172.9-88.4-85.5-1.4111.4E114 D115 I120 N121 E122E114-R118 PolarHBondContact O-N 2.84Å; E114-R118 VanDerWaalsContact O-N 3.08Å; E114-R118 IonicContact OE1-CZ 3.55Å; E114-R118 IonicContact OE1-NH1 2.69Å; E114-R118 PolarHBondContact OE1-NH1 3.49Å; E114-R118 IonicContact OE1-NH2 3.89Å; E114-R118 PolarHBondContact OE1-NH2 2.7Å; D115-R118 PolarHBondContact O-N 3.07Å; D115-R118 IonicContact OD1-CZ 2.72Å; D115-R118 IonicContact OD1-NE 3.63Å; D115-R118 PolarHBondContact OD1-NE 2.84Å; D115-R118 IonicContact OD1-NH2 2.59Å; D115-R118 PolarHBondContact OD1-NH2 2.91Å; R118-I120 VanDerWaalsContact C-N 3.27Å; R118-I120 PolarHBondContact O-N 2.94Å; R118-N121 PolarHBondContact O-N 3.17Å; R118-E122 WeakPolarHBondContact O-CG 3.22Å; R118-E122 PolarHBondContact O-N 2.97Å
119K75.1Confident68Low139 Ų139109.2 Ų109.260%0.60455%0.55SS*.Hα-helixtrans-56.1-39.6178.6-153.178.4177.3-1790113.2D115 Y117 N121 D123D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 2.74Å; Y117-K119 PolarHBondContact O-N 2.96Å; K119-N121 VanDerWaalsContact C-N 3.33Å; K119-D123 PolarHBondContact O-N 3.02Å; K119-D123 VanDerWaalsContact O-N 3.13Å
120I76.7Confident69.5Low82 Ų82108.9 Ų108.942%0.42154%0.541SS..Hα-helixtrans-81.3-10.9-178.9-66170.1000112.4K116 Y117 R118 D123 I124K116-I120 HydrophobicContact CG-CD1 4.36Å; K116-I120 VanDerWaalsContact O-CD1 3.29Å; K116-I120 WeakPolarHBondContact O-CD1 3.24Å; K116-I120 VanDerWaalsContact O-CG1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.28Å; K116-I120 PolarHBondContact O-N 3.03Å; Y117-I120 PolarHBondContact O-N 3.42Å; R118-I120 VanDerWaalsContact C-N 3.27Å; R118-I120 PolarHBondContact O-N 2.94Å; I120-D123 VanDerWaalsContact C-OD1 3.29Å; I120-D123 VanDerWaalsContact CA-OD1 3.29Å; I120-D123 WeakPolarHBondContact CA-OD1 3.46Å; I120-D123 VanDerWaalsContact O-OD1 3.06Å; I120-I124 HydrophobicContact CG2-CD1 4.45Å; I120-I124 VanDerWaalsContact O-CD1 3.24Å; I120-I124 WeakPolarHBondContact O-CD1 3.25Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å
121N79.1Confident70.4Confident96 Ų96110.8 Ų110.851%0.51354%0.539SS..Hα-helixtrans-88.3-42.5166.5-162.5105.1000110.7Y117 R118 K119 D123 I124 D125Y117-N121 PolarHBondContact O-N 3.22Å; R118-N121 PolarHBondContact O-N 3.17Å; K119-N121 VanDerWaalsContact C-N 3.33Å; N121-D123 PolarHBondContact O-N 3.11Å; N121-I124 PolarHBondContact O-N 3.35Å; N121-D125 PolarHBondContact ND2-OD2 3.23Å; N121-D125 PolarHBondContact O-N 3.13Å
122E80.7Confident70.7Confident115 Ų115117.4 Ų117.454%0.53755%0.554SS.*Hα-helixtrans-60.3-42178.7-72.6170.5-169.200112.9R118 L126R118-E122 WeakPolarHBondContact O-CG 3.22Å; R118-E122 PolarHBondContact O-N 2.97Å; E122-L126 WeakPolarHBondContact O-CB 3.44Å; E122-L126 PolarHBondContact O-N 2.68Å
123D83Confident70.9Confident80 Ų80116.3 Ų116.343%0.42855%0.553SS.*Hα-helixtrans-72.9-35.1179.9680.6000113.1K119 I120 N121 M127K119-D123 PolarHBondContact O-N 3.02Å; K119-D123 VanDerWaalsContact O-N 3.13Å; I120-D123 VanDerWaalsContact C-OD1 3.29Å; I120-D123 VanDerWaalsContact CA-OD1 3.29Å; I120-D123 WeakPolarHBondContact CA-OD1 3.46Å; I120-D123 VanDerWaalsContact O-OD1 3.06Å; N121-D123 PolarHBondContact O-N 3.11Å; D123-M127 VanDerWaalsContact O-CB 3.27Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 2.81Å
124I82.7Confident70.1Confident85 Ų85117 Ų11744%0.43656%0.556SS.*Hα-helixtrans-63.6-49.6171.5-69.3178.6000110.9I120 N121 L126 M127 I128I120-I124 HydrophobicContact CG2-CD1 4.45Å; I120-I124 VanDerWaalsContact O-CD1 3.24Å; I120-I124 WeakPolarHBondContact O-CD1 3.25Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å; N121-I124 PolarHBondContact O-N 3.35Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 2.95Å; I124-M127 WeakPolarHBondContact O-CB 3.4Å; I124-M127 PolarHBondContact O-N 2.89Å; I124-M127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.77Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.86Å
125D82.3Confident69.4Low91 Ų91116.2 Ų116.249%0.48757%0.57SS.*Hα-helixtrans-63.6-39.4177.9-85.5-38000111.8N121 M127 I128 S129N121-D125 PolarHBondContact ND2-OD2 3.23Å; N121-D125 PolarHBondContact O-N 3.13Å; D125-M127 VanDerWaalsContact C-N 3.31Å; D125-M127 PolarHBondContact O-N 3.3Å; D125-I128 PolarHBondContact O-N 2.98Å; D125-S129 WeakPolarHBondContact O-CB 3.34Å; D125-S129 PolarHBondContact O-N 3.26Å
126L80.1Confident68.8Low109 Ų109118.3 Ų118.357%0.57159%0.585SS**Hα-helixtrans-65.5-33.9174.9-16769.7000112E122 I124 R130E122-L126 WeakPolarHBondContact O-CB 3.44Å; E122-L126 PolarHBondContact O-N 2.68Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 2.95Å; L126-R130 WeakPolarHBondContact O-CB 3.29Å; L126-R130 VanDerWaalsContact O-CG 3.31Å; L126-R130 WeakPolarHBondContact O-CG 3.5Å; L126-R130 PolarHBondContact O-N 2.88Å
127M79.1Confident68.3Low103 Ų103116.1 Ų116.151%0.50759%0.586SS.*Hα-helixtrans-69.9-45.3175.1-164.3-169.9-4500111.8D123 I124 D125 S129 R130 Q131D123-M127 VanDerWaalsContact O-CB 3.27Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 2.81Å; I124-M127 WeakPolarHBondContact O-CB 3.4Å; I124-M127 PolarHBondContact O-N 2.89Å; I124-M127 VanDerWaalsContact O-N 3.16Å; D125-M127 VanDerWaalsContact C-N 3.31Å; D125-M127 PolarHBondContact O-N 3.3Å; M127-S129 VanDerWaalsContact C-N 3.35Å; M127-R130 PolarHBondContact O-N 2.75Å; M127-Q131 WeakPolarHBondContact O-CB 3.31Å; M127-Q131 WeakPolarHBondContact O-CG 3.21Å; M127-Q131 PolarHBondContact O-N 3.07Å
128I79.4Confident67.9Low77 Ų77112.7 Ų112.740%0.39559%0.586SS.*Hα-helixtrans-61.9-43.9175.5-68.2166.2000110.4I124 D125 Q131 R132I124-I128 HydrophobicContact CG2-CD1 3.77Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.86Å; D125-I128 PolarHBondContact O-N 2.98Å; I128-Q131 PolarHBondContact O-N 3.03Å; I128-R132 PolarHBondContact O-N 3.48Å; I128-R132 VanDerWaalsContact O-N 3.08Å
129S74.2Confident67.1Low68 Ų68112.9 Ų112.948%0.47660%0.601SS.*Hα-helixtrans-63.9-43.3178.1-168.50000111.9D125 M127 R132D125-S129 WeakPolarHBondContact O-CB 3.34Å; D125-S129 PolarHBondContact O-N 3.26Å; M127-S129 VanDerWaalsContact C-N 3.35Å; S129-R132 PolarHBondContact O-N 3.08Å
130R72Confident65.3Low183 Ų183113.5 Ų113.569%0.69161%0.611SS**Hα-helixtrans-62.5-41.5172.5-80.9174.8166.1-103-0.9112.9L126 M127 R132 L133L126-R130 WeakPolarHBondContact O-CB 3.29Å; L126-R130 VanDerWaalsContact O-CG 3.31Å; L126-R130 WeakPolarHBondContact O-CG 3.5Å; L126-R130 PolarHBondContact O-N 2.88Å; M127-R130 PolarHBondContact O-N 2.75Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.4Å; R130-L133 PolarHBondContact O-N 3.48Å; R130-L133 VanDerWaalsContact O-N 3.15Å
131Q59.1Low63.9Low135 Ų135119 Ų11963%0.63163%0.632SS**Hα-helixtrans-64.8-32.4177.9-74.7176.616.700112.5M127 I128 L133M127-Q131 WeakPolarHBondContact O-CB 3.31Å; M127-Q131 WeakPolarHBondContact O-CG 3.21Å; M127-Q131 PolarHBondContact O-N 3.07Å; I128-Q131 PolarHBondContact O-N 3.03Å; Q131-L133 PolarHBondContact O-N 3.29Å
132R57.7Low62.1Low213 Ų213123.1 Ų123.180%0.80465%0.649SS**THydrogen-bonded Turntrans-73.3-8.2174.5-74.2-172.1175.5-173.10.9115I128 S129 R130I128-R132 PolarHBondContact O-N 3.48Å; I128-R132 VanDerWaalsContact O-N 3.08Å; S129-R132 PolarHBondContact O-N 3.08Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.4Å
133L53Low60.8Low144 Ų144126.2 Ų126.275%0.75467%0.665SS**THydrogen-bonded Turntrans-103.4-2.2-179.9-77.2163.7000114.4R130 Q131R130-L133 PolarHBondContact O-N 3.48Å; R130-L133 VanDerWaalsContact O-N 3.15Å; Q131-L133 PolarHBondContact O-N 3.29Å
134C40.6Very low59.2Low102 Ų102127 Ų12769%0.68968%0.675SS**  trans-101.568.3172.3-75.10000112V136C134-V136 VanDerWaalsContact C-N 3.33Å; C134-V136 PolarHBondContact O-N 3.03Å
135A40.9Very low57.7Low99 Ų99128.9 Ų128.982%0.81869%0.69SS**  trans-72.983.5171.500000111.2
136V50.1Low56Low126 Ų126129.8 Ų129.876%0.76470%0.703SS**PPolyproline II helixtrans-70.8126.1174-178.10000109.3C134C134-V136 VanDerWaalsContact C-N 3.33Å; C134-V136 PolarHBondContact O-N 3.03Å
137P50.3Low54.9Low104 Ų104132.2 Ų132.268%0.67572%0.715SS**PPolyproline II helixtrans-70.2144.117829.1-34.6000111.2
138P58.8Low53.7Low107 Ų107133.2 Ų133.270%0.69573%0.729SS**PPolyproline II helixtrans-68.2138.4177.628.7-34.3000110.9N140P138-N140 PolarHBondContact O-N 3.47Å
139P53.4Low52.1Low113 Ų113136.3 Ų136.373%0.73475%0.752SS**  trans-73.7111.1178.629-33.4000110.9F141P139-F141 HydrophobicContact CB-CD2 4.41Å; P139-F141 PolarHBondContact O-N 3.46Å
140N38.4Very low51Low151 Ų151138.4 Ų138.481%0.80777%0.766SS**  trans-73.4102.4167-72.1-60.9000109.7P138P138-N140 PolarHBondContact O-N 3.47Å
141F47.8Very low49.7Very low197 Ų197133.8 Ų133.886%0.86476%0.762SS**  trans-130.998.5162.6-82-72.9000110.3P139P139-F141 HydrophobicContact CB-CD2 4.41Å; P139-F141 PolarHBondContact O-N 3.46Å
142E40.3Very low49Very low184 Ų184135 Ų13586%0.8677%0.768SS**  trans-73.9131171.2-175.5178.6173.200109.7
143M54.5Low48.2Very low179 Ų179132.1 Ų132.188%0.88277%0.768SS**  trans-138102.2-179.6-16769.9154.100109.4
144P49.2Very low47.7Very low97 Ų97129.5 Ų129.563%0.6376%0.761SS**  trans-91.6-176.4-172.235-35.2000113.9
145V50.9Low47.8Very low124 Ų124132 Ų13275%0.75277%0.767SS**  trans89.887.7164.2-171.40000117.8
146S46.8Very low47.9Very low110 Ų110132.6 Ų132.677%0.76976%0.76SS**  67.5117122.7-52.70000122.5
147I56.6Low47.5Very low160 Ų160138.2 Ų138.282%0.82177%0.77SS**  trans-128.7131.9144.3-59.4178.9000107.1
148P53Low47.2Very low124 Ų124137.7 Ų137.781%0.80577%0.768SS**  trans-78.6147-176.931.6-35.1000112.8
149V46.3Very low46.6Very low143 Ų143140.5 Ų140.587%0.86778%0.777SS**  trans-120127.2170.8170.80000109.2
150S51.5Low46.7Very low112 Ų112140.2 Ų140.278%0.78378%0.776SS**  trans-83.4147.2168.928.30000111.8
151S43.7Very low46.9Very low86 Ų86139.4 Ų139.460%0.60178%0.776SS**  trans-58.7167.3179.442.90000113.6
152H45.8Very low46.7Very low161 Ų161134.8 Ų134.875%0.74577%0.768SS**  cis-154.8162.638.5-65.3-100.6000114.8
153N39.9Very low46.8Very low152 Ų152130.4 Ų130.481%0.81376%0.758SS**  trans66.6147.9156.3-75.510000120.1
154S43.9Very low46.5Very low88 Ų88130.3 Ų130.362%0.61576%0.76SS**  cis-170.8145.2-21.451.60000112.2
155L42.5Very low46Very low155 Ų155129.4 Ų129.481%0.81277%0.768SS**  trans73.298.5157.8-63171.6000120.6
156V42Very low45.5Very low111 Ų111131 Ų13167%0.67377%0.772SS**  trans30.9131.2133.3-71.50000122.5
157Y42.3Very low45.6Very low245 Ų245130.6 Ų130.696%0.96177%0.767SS**  -132.3144.3123.2-125.8-91.9000109.4
158S44.7Very low44.9Very low92 Ų92129.6 Ų129.664%0.64376%0.763SS**  trans-114.1134.6-165.8-54.60000113.1
159N45.6Very low44.6Very low166 Ų166131.8 Ų131.889%0.88877%0.768SS**  trans-117.1145.5163.4-93.7-2000109.8
160P54.6Low44.9Very low108 Ų108132.9 Ų132.970%0.70177%0.768SS**  trans-116.5135.6141.225.5-10.6000110.5
161V42.2Very low44.6Very low134 Ų134132.9 Ų132.981%0.81277%0.765SS**  68.7127.781.4125.20000111.6
162S44.5Very low44.7Very low100 Ų100136 Ų13670%0.69977%0.774SS**  cis-174.1-176-7.5480000111.4
163S42.5Very low44.6Very low92 Ų92132.9 Ų132.964%0.64378%0.777SS**  trans90.597.8148.2-166.20000119.8
164L47.1Very low44.8Very low177 Ų177133.9 Ų133.993%0.92778%0.776SS**  45.8129.6124.4-65.1141.1000120.6
165G40.1Very low45Very low78 Ų78134.9 Ų134.980%0.80478%0.78SS**  trans136.986.2148.700000117
166N40.1Very low44.9Very low157 Ų157132.1 Ų132.184%0.8477%0.774SS**  trans-155.1155.2160.5-131.12.4000106.7
167P48.8Very low45.2Very low102 Ų102133.8 Ų133.866%0.66278%0.779SS**  cis-127159.62540.9-27.1000116.2
168N41.2Very low45.3Very low138 Ų138130.4 Ų130.474%0.73877%0.771SS**  173.4170119.2-92.8-35.6000113.5
169L46.6Very low45.1Very low170 Ų170137.7 Ų137.789%0.8979%0.785SS**  trans87.7140.6166.3-52.3-177.4000118.7
170L53.2Low44.8Very low166 Ų166136.4 Ų136.487%0.86978%0.778SS**  trans-103.7-173.1179.1-62.4165.9000108.3
171P46.2Very low44.1Very low112 Ų112136 Ų13673%0.72778%0.777SS**  -132.6-165-58.537.7-21.1000111.9
172L43.8Very low44.6Very low151 Ų151138 Ų13879%0.79178%0.78SS**  trans73.3105.1143.2-168.275.5000120
173A45Very low44.6Very low97 Ų97138.9 Ų138.980%0.80279%0.786SS**  trans-155.7123.3145.600000112.4
174H43.9Very low44.8Very low173 Ų173140.9 Ų140.980%0.80180%0.797SS**  trans-97.9-178.4158.6-73.7-104.9000107.4
175P47.2Very low44.6Very low109 Ų109136 Ų13671%0.70879%0.79SS**  cis-153-176.118.745.4-24000119.8
176S42.1Very low45.1Very low97 Ų97138.1 Ų138.168%0.67879%0.787SS**  trans93.9145.1133.779.60000123.3
177L46.3Very low45.7Very low146 Ų146137.7 Ų137.776%0.76479%0.79SS**  trans60.1115.5164.1-48.1-173.5000118.1
178Q44.5Very low45.4Very low174 Ų174141 Ų14181%0.81380%0.796SS**  73.9104.358.5-74-160.4-18.400116.6
179R40.7Very low45.6Very low245 Ų245145.5 Ų145.593%0.92580%0.803SS**  -163.6170.7117.3-115.2-177.9-179.1-156.2-1.4114
180N39.6Very low46.2Very low139 Ų139142.5 Ų142.574%0.74379%0.794SS**  trans-91.2170.1-156-64.717.5000116.2
181S40.6Very low46Very low98 Ų98140.5 Ų140.569%0.68579%0.791SS**  trans75.2117.9141.461.20000120
182M52.1Low46.4Very low177 Ų177140.6 Ų140.687%0.87279%0.794SS**  -154.4167120.6-83.6-51.9115.700108.6
183S44.6Very low46.8Very low119 Ų119138.8 Ų138.883%0.83280%0.8SS**  trans-99.2166.6-167.8-67.80000114.3
184P46Very low46.9Very low133 Ų133137.9 Ų137.986%0.86480%0.8SS**  trans-92.9160.5-161.536.6-36.6000115.5
185G44.9Very low46.7Very low75 Ų75137 Ų13777%0.77380%0.802SS**  trans-162.8126.8176.300000115
186V49.3Very low46.5Very low122 Ų122138.4 Ų138.474%0.73981%0.808SS**  trans-40.8152.4175.6-70.10000118.5
187T52.4Low46.5Very low149 Ų149137.6 Ų137.691%0.91482%0.816SS**  trans-121.2123.3151.144.10000110.5
188H44.1Very low46.3Very low170 Ų170134 Ų13479%0.78781%0.814SS**PPolyproline II helixtrans-91.7153.7-174-103.3-102000113.1
189R45Very low46.4Very low234 Ų234133.6 Ų133.688%0.88382%0.817SS**PPolyproline II helixtrans-101.7131.6158.3-171.8179178.2-149.4-1.5109
190P58.8Low46.8Very low107 Ų107130.9 Ų130.970%0.69582%0.816SS**PPolyproline II helixtrans-93.2153-168.935-36.3000114.8
191P49.5Very low46.9Very low124 Ų124128.1 Ų128.181%0.80582%0.821SS**PPolyproline II helixtrans-96.6162.8157.138.1-31.7000111.9
192S54.2Low47.1Very low114 Ų114127.1 Ų127.180%0.79783%0.826SS**  trans-147.5131.3176.4-67.10000113.1
193A53Low46.5Very low112 Ų112126.1 Ų126.193%0.92682%0.824SS**  trans52.5141.6162.400000119.5
194G45.1Very low46.5Very low78 Ų78127.4 Ų127.480%0.80482%0.821SS**  cis-168.1164.2-3.100000110.4
195N40Very low46.3Very low154 Ų154126.5 Ų126.582%0.82481%0.813SS**  trans-139.5115.1-167.8172.982.2000112.7
196T44.6Very low46.1Very low139 Ų139129 Ų12985%0.85382%0.818SS**  trans-153.3105.917649.40000112.9
197G41.4Very low45.6Very low81 Ų81127 Ų12784%0.83582%0.824SS**  trans69.9157.4161.200000118.1
198G42.3Very low44.9Very low70 Ų70125.4 Ų125.472%0.72283%0.825SS**  cis164.9109.4-11.600000115.5
199L46.3Very low44.7Very low166 Ų166121 Ų12187%0.86983%0.825SS**  trans66.1156.8158-54.6175.8000119.2
200M48.3Very low44.5Very low187 Ų187116.4 Ų116.492%0.92182%0.823SS**  trans65.8139.1178.3-41-50.9-131.900115.6
201G41.9Very low43.7Very low81 Ų81116.8 Ų116.884%0.83583%0.829SS**  cis123.7119.9-4.800000112.3
202G44.5Very low43.5Very low77 Ų77116 Ų11679%0.79483%0.833SS**  trans137.185.1174.100000116.1
203D39.7Very low43Very low156 Ų156114.2 Ų114.283%0.83483%0.833SS**  trans-21170.2146.8-76.2-72.4000122.1
204L45.4Very low42.5Very low147 Ų147115.8 Ų115.877%0.7783%0.825SS**  trans87.7106.6153.4-72.3163.9000122.1
205T41.1Very low42.4Very low113 Ų113115.2 Ų115.269%0.69382%0.819SS**  60.1131.7127.959.30000124.2
206S40.3Very low42.8Very low127 Ų127118 Ų11889%0.88882%0.82SS**  trans61.7122.7132.7-59.50000121.4
207G39.9Very low42.8Very low82 Ų82114.7 Ų114.785%0.84581%0.813SS**  trans164.5128.5159.100000112.9
208A37.6Very low43.1Very low114 Ų114118.6 Ų118.694%0.94282%0.815SS**  trans-99.2141.1169.900000110.1
209G40.6Very low43.7Very low77 Ų77120.2 Ų120.279%0.79481%0.813SS**  trans-160.5154.6179.300000110.9
210T40.4Very low43.6Very low138 Ų138123.2 Ų123.285%0.84781%0.813SS**  trans-121.6163.5-165.150.80000114.2
211S42.6Very low43.4Very low116 Ų116121.2 Ų121.281%0.81181%0.806SS**  trans103.9143.514481.30000121
212A44.5Very low43.6Very low107 Ų107122.2 Ų122.288%0.88480%0.8SS**  trans67.3127.7151.500000121.8
213G44.7Very low44Very low77 Ų77124.6 Ų124.679%0.79480%0.802SS**  trans170.1100.9166.600000113.8
214N42.4Very low44.3Very low144 Ų144120.4 Ų120.477%0.7780%0.795SS**  trans-70.3164.2171.6-59.7-9.8000110.6Y216N214-Y216 HydrophobicContact CB-CE2 4.09Å; N214-Y216 PolarHBondContact ND2-OH 3.25Å
215G42.2Very low44.2Very low66 Ų66121.1 Ų121.168%0.6880%0.799SS**  cis-175.4-157.20.900000106.2
216Y48.6Very low44.4Very low212 Ų212123.1 Ų123.183%0.83181%0.805SS**  cis-156.7165.7-5.7-66.3-96.8000105.8N214N214-Y216 HydrophobicContact CB-CE2 4.09Å; N214-Y216 PolarHBondContact ND2-OH 3.25Å
217G45Very low44.8Very low70 Ų70123.1 Ų123.172%0.72280%0.799SS**  cis155.4151.6-7.100000112.9
218N46Very low45.1Very low163 Ų163124.7 Ų124.787%0.87280%0.797SS**  trans80.5155.6159.2-949.6000121.9
219P56.6Low45.8Very low104 Ų104125.3 Ų125.368%0.67579%0.792SS**  -147.1-137.2-127.444.6-20.2000114.5
220R44Very low46.2Very low230 Ų230125.5 Ų125.587%0.86879%0.793SS**  trans100.1142.7-178.9-60.6165.6127.1160-2.2112.3
221N44.3Very low46.4Very low144 Ų144125.7 Ų125.777%0.7779%0.789SS**  cis-139.5163.29.6-153.276.8000112.6
222S45.1Very low47.2Very low103 Ų103128.5 Ų128.572%0.7279%0.794SS**  trans-118.7-156.4-179-46.60000109.7
223P53.4Low47.3Very low127 Ų127130.2 Ų130.283%0.82579%0.789SS**  cis-141.5179.8-11.640.8-21.9000117
224G45.6Very low47.5Very low68 Ų68136.6 Ų136.670%0.70180%0.795SS**  trans103.7150151.500000117.7
225L44.4Very low47.5Very low162 Ų162136.3 Ų136.385%0.84879%0.793SS**  cis-147.5151.5-6-80.5173.8000112.2
226L44.3Very low48.1Very low155 Ų155141.9 Ų141.981%0.81280%0.804SS**  trans-12.4150.8154-50.2166.4000117.6
227V48.1Very low48.1Very low127 Ų127138.8 Ų138.877%0.7780%0.797SS**  -164131.260.4160.70000113.7
228S47.5Very low48.2Very low114 Ų114140.6 Ų140.680%0.79780%0.804SS**  trans50.7157143.2-55.30000125.7
229P51.8Low48.3Very low128 Ų128141.2 Ų141.283%0.83180%0.8SS**  trans-118.5172.7-164.243.1-30.7000116.3
230G49.5Very low47.9Very low81 Ų81141.2 Ų141.284%0.83580%0.802SS**  trans-136.4138.2166.100000111.4
231N44.2Very low48.9Very low141 Ų141136 Ų13675%0.75480%0.797SS**  trans-133.5119-163176.283.3000113
232L59.7Low49.9Very low175 Ų175134.3 Ų134.392%0.91680%0.795SS**  trans-137.9117.6167.9-79.4179.3000112.3
233N45.2Very low50.6Low144 Ų144135.3 Ų135.377%0.7780%0.799SS**  trans-67132.6172.8-101.7-31.2000112.1
234K50.7Low50.6Low211 Ų211137.5 Ų137.592%0.91780%0.8SS**  trans-140.1128.7135.1-74.1-160176.1178.30110.4
235N41Very low50.4Low138 Ų138141.5 Ų141.574%0.73881%0.805SS**  trans-88.6127.8-172.9174.133.8000111.7
236M55.1Low50.7Low183 Ų183139.6 Ų139.690%0.90180%0.795SS**  trans-152.4103.4160.6-101.1-62.5179.700109.5A238M236-A238 PolarHBondContact O-N 2.88Å
237Q48.1Very low50.5Low147 Ų147135.2 Ų135.269%0.68779%0.787SS**  trans-79.7100.5175.2-76.3-168.8-24.500111.2K239Q237-K239 VanDerWaalsContact C-N 3.29Å; Q237-K239 PolarHBondContact O-N 3.11Å
238A47.3Very low50.9Low107 Ų107136.8 Ų136.888%0.88479%0.788SS**  trans-7383.4162.500000109.9M236M236-A238 PolarHBondContact O-N 2.88Å
239K48.6Very low50.8Low177 Ų177138.8 Ų138.877%0.7779%0.79SS**PPolyproline II helixtrans-68.3131.4170.5-80.2-175.8175.7178.10110Q237Q237-K239 VanDerWaalsContact C-N 3.29Å; Q237-K239 PolarHBondContact O-N 3.11Å
240S47.6Very low50.6Low104 Ų104140 Ų14073%0.72779%0.79SS**PPolyproline II helixtrans-66.2148.3170.643.10000111.5
241P65.1Low50.7Low119 Ų119147.2 Ų147.277%0.77379%0.792SS**PPolyproline II helixtrans-68.5138171.529-33.7000110.4
242P66.1Low50.5Low109 Ų109149.6 Ų149.671%0.70880%0.796SS**PPolyproline II helixtrans-75.1158.2175.632.4-35.5000111.6M244P242-M244 PolarHBondContact O-N 2.87Å
243P59Low50.4Low124 Ų124147.3 Ų147.381%0.80579%0.791SS**PPolyproline II helixtrans-66.2128.6171.628.4-34000110.7N245P243-N245 PolarHBondContact O-N 3.4Å
244M53Low50.1Low173 Ų173145.1 Ų145.185%0.85278%0.779SS**  trans-74.993.3176.6-65.8-165.2-58.600111.1P242 L246P242-M244 PolarHBondContact O-N 2.87Å; M244-L246 HydrophobicContact CB-CD1 4.01Å; M244-L246 PolarHBondContact O-N 3.44Å
245N43Very low49.7Very low152 Ų152142.7 Ų142.781%0.81378%0.775SS**  trans-8683.9168.9-174.111.8000110.4P243 G247P243-N245 PolarHBondContact O-N 3.4Å; N245-G247 PolarHBondContact O-N 2.9Å; N245-G247 VanDerWaalsContact O-N 3.17Å
246L50.3Low50Low122 Ų122145.4 Ų145.464%0.63978%0.775SS**  trans-79.292.9170.8-91.575.1000110.1M244 M248M244-L246 HydrophobicContact CB-CD1 4.01Å; M244-L246 PolarHBondContact O-N 3.44Å; L246-M248 HydrophobicContact CB-SD 4.26Å; L246-M248 HydrophobicContact CD2-SD 4.2Å; L246-M248 PolarHBondContact O-N 2.99Å
247G39.8Very low49.7Very low63 Ų63142.4 Ų142.465%0.64977%0.767SS**  trans-72.286168.800000112N245 N249N245-G247 PolarHBondContact O-N 2.9Å; N245-G247 VanDerWaalsContact O-N 3.17Å; G247-N249 PolarHBondContact O-N 3.48Å
248M56.4Low49.8Very low160 Ų160143.3 Ų143.379%0.78878%0.776SS**  trans-82.9108.4163.2-95.2919200110.6L246 N250L246-M248 HydrophobicContact CB-SD 4.26Å; L246-M248 HydrophobicContact CD2-SD 4.2Å; L246-M248 PolarHBondContact O-N 2.99Å; M248-N250 PolarHBondContact O-N 2.98Å
249N46.2Very low50.2Low157 Ų157144.8 Ų144.884%0.8477%0.767SS**  trans-66.9109.4164-63.6-71.9000109.4G247G247-N249 PolarHBondContact O-N 3.48Å
250N47.6Very low50.8Low154 Ų154141.3 Ų141.382%0.82476%0.763SS**  trans-153.6143.8140.5-118.5-23.9000115.5M248M248-N250 PolarHBondContact O-N 2.98Å
251R50.8Low51.6Low232 Ų232142.5 Ų142.588%0.87577%0.768SS**  trans-64.1145.8-166.8-65.3156.1175.1162.7-1.9112.9
252K40.9Very low50.4Low191 Ų191140.3 Ų140.383%0.8377%0.768SS**  trans-39136.1174-57.7171.2176.1-179.40114
253P57.1Low49.6Very low126 Ų126140.9 Ų140.982%0.81877%0.774SS**  trans-77114.7139.431.2-27.4000108.9L255P253-L255 PolarHBondContact O-N 2.96Å
254D38.9Very low48.9Very low98 Ų98144.3 Ų144.352%0.52478%0.776SS.*  trans-84.585.2176.1-177.121.8000109.6R256D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 2.9Å; D254-R256 IonicContact OD1-NE 3.99Å; D254-R256 IonicContact OD2-CZ 3.19Å; D254-R256 IonicContact OD2-NE 2.77Å; D254-R256 PolarHBondContact OD2-NE 3.44Å; D254-R256 IonicContact OD2-NH2 2.74Å; D254-R256 PolarHBondContact OD2-NH2 3.26Å
255L42.5Very low48.2Very low160 Ų160144.1 Ų144.184%0.83878%0.779SS**  trans-76.478.2-176.2-168.871.8000111.4P253 V257P253-L255 PolarHBondContact O-N 2.96Å; L255-V257 PolarHBondContact O-N 3.16Å
256R47.2Very low48.1Very low195 Ų195143.1 Ų143.174%0.73678%0.778SS**  trans-71.9114.4172.6-59.9-174.7-165.7169.310.1110D254 L258D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 2.9Å; D254-R256 IonicContact OD1-NE 3.99Å; D254-R256 IonicContact OD2-CZ 3.19Å; D254-R256 IonicContact OD2-NE 2.77Å; D254-R256 PolarHBondContact OD2-NE 3.44Å; D254-R256 IonicContact OD2-NH2 2.74Å; D254-R256 PolarHBondContact OD2-NH2 3.26Å; R256-L258 PolarHBondContact O-N 3.45Å
257V49Very low47.6Very low120 Ų120145.4 Ų145.473%0.72779%0.788SS**  trans-68110.5170.3-175.90000108.4L255 I259L255-V257 PolarHBondContact O-N 3.16Å; V257-I259 HydrophobicContact CG1-CD1 4.48Å; V257-I259 HydrophobicContact CG1-CG1 3.82Å; V257-I259 PolarHBondContact O-N 3.34Å; V257-I259 VanDerWaalsContact O-N 3.14Å
258L49.4Very low47.7Very low166 Ų166147.4 Ų147.487%0.86979%0.789SS**  trans-82.389177.2-158.282.7000109.6R256 P260R256-L258 PolarHBondContact O-N 3.45Å; L258-P260 WeakPolarHBondContact O-CD 3.33Å
259I56.7Low46.6Very low138 Ų138144.8 Ų144.871%0.70879%0.787SS**PPolyproline II helixtrans-80.7120.8175.2-54.8179.4000108.7V257V257-I259 HydrophobicContact CG1-CD1 4.48Å; V257-I259 HydrophobicContact CG1-CG1 3.82Å; V257-I259 PolarHBondContact O-N 3.34Å; V257-I259 VanDerWaalsContact O-N 3.14Å
260P61.3Low46.4Very low104 Ų104143.1 Ų143.168%0.67578%0.782SS**PPolyproline II helixtrans-63.2142.4172-20.733.8000111.1L258 G262L258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-G262 PolarHBondContact O-N 3.4Å
261P63.5Low46Very low129 Ų129140.9 Ų140.984%0.83878%0.778SS**PPolyproline II helixtrans-65.6131.1-178.827.4-34.4000111.1S263P261-S263 PolarHBondContact O-N 3.08Å
262G40Very low46Very low74 Ų74137.6 Ų137.676%0.76377%0.773SS**PPolyproline II helixtrans-65.9122.7-173.600000113.8P260 K264P260-G262 PolarHBondContact O-N 3.4Å; G262-K264 PolarHBondContact O-N 3.32Å
263S48.3Very low46.3Very low121 Ų121135 Ų13585%0.84677%0.768SS**PPolyproline II helixtrans-68.4123.2160.639.50000109.3P261P261-S263 PolarHBondContact O-N 3.08Å
264K44.2Very low45.9Very low195 Ų195135.9 Ų135.985%0.84877%0.771SS**PPolyproline II helixtrans-71.4133.8179.5-55.4163.8-172.5171.60109.3G262G262-K264 PolarHBondContact O-N 3.32Å
265N40.2Very low46.2Very low169 Ų169138.6 Ų138.690%0.90479%0.785SS**  trans-156.5149.6144.8-109.4-6.5000111
266T40.8Very low46.3Very low131 Ų131138 Ų13880%0.80478%0.782SS**  trans-86.7129.5-167.9-51.60000111.8
267M38.2Very low46.2Very low171 Ų171137 Ų13784%0.84279%0.79SS**  trans-134.4144156.9-79.6-62.4-75.500109.5
268P43.1Very low46Very low104 Ų104139.5 Ų139.568%0.67580%0.799SS**  trans-79159.6-173.332.4-35.9000113.2V270P268-V270 PolarHBondContact O-N 3.31Å
269S33.7Very low45.4Very low106 Ų106139 Ų13974%0.74180%0.797SS**  trans-68.5124.1171.5175.50000111.2
270V41.5Very low44.4Very low121 Ų121141 Ų14173%0.73380%0.803SS**  trans-107.5128.4153.8-71.40000108.5P268P268-V270 PolarHBondContact O-N 3.31Å
271S39.5Very low43.2Very low107 Ų107147.4 Ų147.475%0.74881%0.814SS**  trans-132.494.3172.7-67.80000105.4
272E49.8Very low42.3Very low164 Ų164149.7 Ų149.777%0.76682%0.817SS**  trans-126.6140.3-174.3-65.7-168.9136.800110.9
273D46.8Very low42.4Very low137 Ų137152.9 Ų152.973%0.73382%0.817SS**  trans-55.1128.9-163.2-57.3-101.6000115.7
274V50Low41.9Very low143 Ų143153.2 Ų153.287%0.86781%0.81SS**SBendtrans-116.432.9171.4-154.20000111.4
275D44.2Very low41.5Very low155 Ų155148.8 Ų148.883%0.82980%0.803SS**SBendtrans-136.815.1-172.4-115-38.1000114.8
276L44.5Very low41.6Very low147 Ų147149.6 Ų149.677%0.7780%0.801SS**  trans-132.865.1-176.7-73.2178.6000115
277L45.9Very low41.6Very low174 Ų174148.8 Ų148.891%0.91180%0.801SS**SBendtrans-142.4-1.1163.1-14476.9000116.8
278L45.3Very low41.7Very low173 Ų173145.3 Ų145.391%0.90680%0.799SS**SBendtrans-89.3-14.7-174.4-156.167.1000114.8
279N35.2Very low41.8Very low157 Ų157149.8 Ų149.884%0.8481%0.811SS**SBendtrans-13046.1-163.7-99.7-1.3000115.2
280Q35.7Very low42Very low178 Ų178150.5 Ų150.583%0.83282%0.817SS**  trans-157.175.1163.5-132.3-179.6106.100117.9
281R36.2Very low41.9Very low240 Ų240153 Ų15391%0.90682%0.824SS**  trans-179.1104.2132.3-105.6166.1-79.3-165-3.5112.5
282I45.4Very low42Very low176 Ų176152.5 Ų152.590%0.90383%0.827SS**  trans-134.793160-57177.2000107.4
283N41.5Very low41.6Very low141 Ų141150.4 Ų150.475%0.75483%0.826SS**  trans-164.9156.7147.9-146-1.2000113.2
284N37.7Very low41.9Very low129 Ų129149.9 Ų149.969%0.6983%0.83SS**  trans55.587.3163.5-71-7.4000120
285S36Very low41.7Very low102 Ų102149.1 Ų149.171%0.71383%0.825SS**  39.3120.3108.1-46.90000120.7
286Q42.3Very low41.7Very low186 Ų186147.9 Ų147.987%0.86982%0.823SS**  -173.8157.1102.6-102173.475.400114.3
287S41.9Very low41.9Very low113 Ų113145.9 Ų145.979%0.7982%0.821SS**  trans44.3121.8158.3570000121
288A40.2Very low42Very low98 Ų98144.3 Ų144.381%0.8182%0.819SS**  trans-70.2155.8173.300000114.9
289Q43.7Very low42.4Very low198 Ų198140.6 Ų140.693%0.92581%0.813SS**  trans-153167.2134.7-110.9171.439.500110.7
290S38.1Very low42.6Very low122 Ų122139.3 Ų139.385%0.85381%0.811SS**  trans-88.4166-152.3-60.20000116.7
291L39.2Very low43.1Very low172 Ų172136.8 Ų136.890%0.90181%0.81SS**  trans-54.3141.1176.7-62.1162.5000113.7
292A42.1Very low43.5Very low98 Ų98131.1 Ų131.181%0.8180%0.802SS**  trans-141.1111.6162.300000110
293T40.9Very low43.7Very low120 Ų120130.5 Ų130.574%0.73680%0.8SS**PPolyproline II helixtrans-101.9124.1177.648.10000110.6V295T293-V295 PolarHBondContact O-N 2.92Å
294P53Low43.8Very low125 Ų125129.9 Ų129.981%0.81280%0.803SS**PPolyproline II helixtrans-73121.1173.129.4-32.3000110.5
295V45.7Very low44.3Very low127 Ų127127.4 Ų127.477%0.7781%0.809SS**PPolyproline II helixtrans-80.5138.3169.5172.80000109.2T293T293-V295 PolarHBondContact O-N 2.92Å
296V44.4Very low44.7Very low130 Ų130132.6 Ų132.679%0.78882%0.822SS**  trans-109.4113.3171.2179.50000108.8
297S49.6Very low44.7Very low105 Ų105127.5 Ų127.573%0.73482%0.819SS**  trans-84.3125.3175.5-60.60000111
298V48.7Very low44.9Very low140 Ų140131.5 Ų131.585%0.84883%0.828SS**  trans-85.4131164.4-74.70000109.9
299A52.3Low44.9Very low95 Ų95130.3 Ų130.379%0.78583%0.825SS**  trans-134.5105-179.400000110.9
300T40.4Very low44.7Very low131 Ų131123.8 Ų123.880%0.80481%0.811SS**  trans-89.6141.2173-27.50000110.2
301P46.4Very low45.2Very low125 Ų125129 Ų12981%0.81281%0.814SS**  trans-130.6158.4142.335.8-25.4000112.8
302T43.5Very low45.4Very low121 Ų121127 Ų12774%0.74281%0.811SS**  trans-114.4141.7-174.447.90000111.8
303L50.5Low45.4Very low162 Ų162128 Ų12885%0.84881%0.812SS**  173.6151.9127.3-113.467.1000110.6
304P43Very low45.7Very low128 Ų128126.8 Ų126.883%0.83182%0.815SS**  trans-95.1150.7176.736.3-31.9000113
305G48Very low45.3Very low78 Ų78128.8 Ų128.880%0.80482%0.817SS**  trans-147.7143.7171.400000111.3
306Q44.5Very low45Very low210 Ų210127.9 Ų127.998%0.98182%0.816SS**  trans-86.8139.7-176.2-65.6175.1-3700111.8
307G43.4Very low44.8Very low79 Ų79128.1 Ų128.181%0.81482%0.818SS**  trans-170.3141.4173.100000111.3
308M45.1Very low44.1Very low197 Ų197128.6 Ų128.697%0.9782%0.817SS**  trans-105.2138.2-174.5-113.6-66.1149.800112.6
309G41Very low43.8Very low73 Ų73133.1 Ų133.175%0.75382%0.82SS**  trans111.1123.3149.600000118.2
310G39.1Very low43.1Very low62 Ų62131.9 Ų131.964%0.63982%0.817SS**  trans104.6118.6143.700000118.5
311Y47.5Very low43Very low230 Ų230132.1 Ų132.190%0.90282%0.818SS**  trans66.7119.9153.4-50.4-74000119.9
312P44.1Very low42.7Very low131 Ų131133.6 Ų133.685%0.85181%0.814SS**  trans-92.1134.5162.334.8-29000111.6
313S41.4Very low42.6Very low118 Ų118138.2 Ų138.283%0.82582%0.82SS**  trans-125.2111167.6-71.20000109.4
314A48.6Very low42.2Very low96 Ų96136.6 Ų136.679%0.79382%0.822SS**  trans-82.2131.5176.500000110.8
315I44.7Very low42.4Very low166 Ų166138.5 Ų138.585%0.85182%0.824SS**  trans-99.9104170.742.5170.1000109.9
316S38.1Very low42Very low108 Ų108139.5 Ų139.576%0.75582%0.819SS**  trans-93110.9173.9-63.40000110.5
317T40.7Very low42Very low135 Ų135134.9 Ų134.983%0.82881%0.81SS**  trans-84.9120.6167.3-58.60000108.9
318T36.2Very low42.4Very low116 Ų116134.1 Ų134.171%0.71280%0.796SS**  trans-141.4124.6176.4-58.90000110.1
319Y40.4Very low42.4Very low234 Ų234130.6 Ų130.692%0.91878%0.781SS**  trans-140.1133.9167-90.9-88.8000107.1
320G38Very low42.8Very low70 Ų70135.1 Ų135.172%0.72279%0.787SS**  trans12079-174.300000112.9
321T38.6Very low43.2Very low135 Ų135137.4 Ų137.483%0.82879%0.793SS**  trans-51.8152159.336.80000110.6
322E40Very low43.3Very low156 Ų156130.1 Ų130.173%0.72978%0.776SS**  -1655764.257.9-165.4127.500116.2
323Y41.4Very low43.3Very low219 Ų219131.7 Ų131.786%0.85978%0.776SS**  trans-126.789.1174.8-55.2-75.5000113.4L325Y323-L325 PolarHBondContact O-N 3.38Å; Y323-L325 VanDerWaalsContact O-N 3.12Å
324S42.3Very low43.3Very low127 Ų127131.4 Ų131.489%0.88877%0.774SS**  trans-80.883.5178.8-61.80000112.8
325L46.4Very low42.8Very low168 Ų168129.4 Ų129.488%0.8876%0.763SS**  trans-81.4119.7162.8-69.9179.4000109.9Y323 S327Y323-L325 PolarHBondContact O-N 3.38Å; Y323-L325 VanDerWaalsContact O-N 3.12Å; L325-S327 PolarHBondContact O-N 2.9Å
326S41.5Very low42.4Very low99 Ų99131.7 Ų131.769%0.69277%0.767SS**  trans-71.1118.4-179.3-171.80000111.2A328S326-A328 PolarHBondContact O-N 2.97Å
327S43.7Very low42.3Very low114 Ų114133.8 Ų133.880%0.79777%0.77SS**THydrogen-bonded Turntrans-77.268176.458.80000111.4L325L325-S327 PolarHBondContact O-N 2.9Å
328A50.9Low42Very low63 Ų63134.2 Ų134.252%0.52177%0.772SS.*THydrogen-bonded Turntrans-127.2-35.3179.100000113.4S326 L330S326-A328 PolarHBondContact O-N 2.97Å; A328-L330 VanDerWaalsContact C-N 3.33Å; A328-L330 PolarHBondContact O-N 2.96Å
329D46.9Very low42.1Very low122 Ų122133 Ų13365%0.65277%0.774SS**G310 helixtrans-81.2-2.5-175.3-71.1-64000115.3S331 S332D329-S331 PolarHBondContact O-N 3.13Å; D329-S331 VanDerWaalsContact O-N 3.07Å; D329-S332 PolarHBondContact O-OG 2.96Å
330L47.8Very low41.8Very low169 Ų169127.7 Ų127.789%0.88577%0.771SS**G310 helixtrans-736.6175.5-65.5179.7000114.2A328A328-L330 VanDerWaalsContact C-N 3.33Å; A328-L330 PolarHBondContact O-N 2.96Å
331S48.3Very low41.9Very low110 Ų110129.2 Ų129.277%0.76978%0.777SS**G310 helixtrans-119.32.8-176.7-59.20000114.4D329D329-S331 PolarHBondContact O-N 3.13Å; D329-S331 VanDerWaalsContact O-N 3.07Å
332S49.6Very low42Very low76 Ų76130.4 Ų130.453%0.53178%0.778SS.*SBendtrans-107.7-8.3-174.758.80000115.1D329 S334D329-S332 PolarHBondContact O-OG 2.96Å; S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact O-N 3.15Å
333L44.1Very low41.8Very low164 Ų164130.2 Ų130.286%0.85978%0.776SS**  trans-88.140.5-178.9-71.6174.5000114.5G335L333-G335 PolarHBondContact O-N 3.2Å
334S41.4Very low41.5Very low112 Ų112127.1 Ų127.178%0.78377%0.774SS**  trans-81.752.8170.346.80000112S332S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact O-N 3.15Å
335G37.9Very low41.2Very low54 Ų54124.8 Ų124.856%0.55777%0.77SS**  trans-119.5-14.2-15900000119.2L333L333-G335 PolarHBondContact O-N 3.2Å
336F36.8Very low40.7Very low214 Ų214122.3 Ų122.394%0.93977%0.767SS**  trans-133.477-174.9-74.8-74.5000113.7
337N34.6Very low40.8Very low152 Ų152124.6 Ų124.681%0.81378%0.776SS**  trans-97.2115.8163.3-79.5-57.2000110.3
338T35Very low40.9Very low144 Ų144125.8 Ų125.888%0.88378%0.779SS**  trans-12480.7155.852.50000108.7
339A37.6Very low40.3Very low91 Ų91126 Ų12675%0.75279%0.787SS**  trans-72.9139.5174.300000110.9
340S36Very low40Very low123 Ų123131.8 Ų131.886%0.8680%0.8SS**  trans-154.571.1163.2-87.30000110.2
341A40Very low39.7Very low102 Ų102131.2 Ų131.284%0.84379%0.793SS**  trans-103.263.2168.400000110.1
342L40Very low39.6Very low160 Ų160134.7 Ų134.784%0.83880%0.797SS**  trans-151.6153.9175-69.9179.7000105.8
343H35.3Very low39.1Very low152 Ų152138.4 Ų138.470%0.70481%0.806SS**  cis178.1178.2-9.7167.4-95.1000103.1G345H343-G345 PolarHBondContact O-N 3.22Å
344L34.8Very low39Very low153 Ų153138.6 Ų138.680%0.80180%0.802SS**  trans-48.6135.8177.6-73.257.1000113
345G35.6Very low38.8Very low79 Ų79138.5 Ų138.581%0.81479%0.792SS**  trans-178.587.5172.700000114.4H343H343-G345 PolarHBondContact O-N 3.22Å
346S36.9Very low39.1Very low116 Ų116143.6 Ų143.681%0.81180%0.801SS**  trans-91.2123.2168.5179.40000110.5
347V44.3Very low39.4Very low147 Ų147140 Ų14089%0.89179%0.792SS**  trans-149.9156.4158-860000109.8
348T44.8Very low40.2Very low138 Ų138140.3 Ų140.385%0.84779%0.79SS**  trans-116159.2-161.150.60000114.2
349G38.3Very low41Very low68 Ų68138.7 Ų138.770%0.70178%0.782SS**  trans116.2113.4133.300000117.8
350W40.7Very low41.7Very low243 Ų243140 Ų14092%0.9278%0.783SS**  trans-124.583.7154.6-93.491.9000110.5
351Q42Very low42.6Very low157 Ų157140.1 Ų140.173%0.73478%0.784SS**  trans32.8103.1130.9-169.6178.323.500119.7
352Q45Very low42.9Very low184 Ų184139.6 Ų139.686%0.8678%0.78SS**  trans-149.1154.2135.1-154.290.147.900109.6
353Q40.8Very low43.1Very low154 Ų154140.5 Ų140.572%0.7278%0.784SS**  trans-91.3165.9-153.7-67.6162-71.300117.2
354H40.2Very low43.6Very low168 Ų168137.6 Ų137.678%0.77878%0.781SS**  trans69.3141.5164.3-80.5-140.9000117.9
355L39.1Very low44.1Very low110 Ų110138 Ų13858%0.57678%0.779SS**  cis-168.7155.9-24.8-135.9153.6000107.2
356H42.6Very low44.5Very low160 Ų160142 Ų14274%0.74178%0.781SS**  trans45.1134.7161.753.332.7000120.6
357N44.3Very low44.7Very low138 Ų138139.7 Ų139.774%0.73878%0.775SS**  cis-167.3137.516.7-156.943.2000114.9
358M50.7Low44.5Very low160 Ų160137.8 Ų137.879%0.78878%0.775SS**  trans73.3161.7145.9-72.5-56.8162.300123.4
359P52.2Low44.3Very low110 Ų110136.8 Ų136.871%0.71477%0.772SS**  trans-126.6-177-130.447.6-36.7000118.9
360P52.1Low44.3Very low119 Ų119140 Ų14077%0.77378%0.779SS**  trans-122.2-179.4-16644.5-33.3000117.4
361S54.9Low44.2Very low124 Ų124133.1 Ų133.187%0.86777%0.768SS**  trans-157.2174.4164.9-80.80000111.5
362A45.4Very low44.2Very low92 Ų92131.5 Ų131.576%0.7677%0.768SS**  -179.8112.3-81.200000112.5
363L46Very low44Very low178 Ų178130.3 Ų130.393%0.93276%0.763SS**  trans-160.4158.6159.2-145.769.3000115.4
364S44.5Very low43.9Very low92 Ų92130.6 Ų130.664%0.64377%0.768SS**  trans-69.9-172.6-175.4-38.80000116.2
365Q45.5Very low43.7Very low161 Ų161127.5 Ų127.575%0.75277%0.766SS**  cis-168.515411.8-144.9160.6-39.600113.6
366L43.7Very low43.8Very low163 Ų163131.9 Ų131.985%0.85378%0.783SS**  trans58.8160157.5-75.2154.6000118.9
367G41.6Very low43.6Very low67 Ų67129.5 Ų129.569%0.69178%0.784SS**  cis-169.7175.2-2.800000110.4
368A40.4Very low43.7Very low107 Ų107128.9 Ų128.988%0.88479%0.791SS**  trans-147146.6-168.300000116.5
369C39.3Very low43.1Very low117 Ų117128.6 Ų128.679%0.79179%0.792SS**  trans-166.9109.4158.355.70000115.9
370T39.9Very low42.5Very low137 Ų137131 Ų13184%0.8480%0.798SS**  trans33.8125.1132.9570000125
371S38.9Very low42Very low98 Ų98131.1 Ų131.169%0.68580%0.802SS**  97.6137.4123.5-162.70000123.1
372T40.2Very low41.2Very low122 Ų122133 Ų13375%0.74880%0.802SS**  trans62.3128.6151.634.80000119.1
373H41.4Very low41.1Very low160 Ų160134.6 Ų134.674%0.74180%0.804SS**  cis-174.3171.539.757.8-58.2000112.7
374L39.4Very low40.9Very low159 Ų159130.8 Ų130.883%0.83279%0.793SS**  trans66.6163.7157.2-104.663.2000121
375S36.6Very low40.9Very low104 Ų104132.2 Ų132.273%0.72780%0.797SS**  trans-135.7143.8-167.545.80000111.2
376Q40.7Very low41.1Very low202 Ų202134.1 Ų134.194%0.94481%0.806SS**  trans-163.9160.7146.3-112.7168.233.900111.8
377S38.2Very low41.2Very low109 Ų109132 Ų13276%0.76281%0.805SS**  trans-84.4140.5-168.451.30000114.2
378S46.3Very low42Very low125 Ų125136.8 Ų136.887%0.87481%0.814SS**  trans-155.2162.9155.8-85.10000111.1
379N38.5Very low42.4Very low154 Ų154139.1 Ų139.182%0.82481%0.812SS**  trans-97.4162.5-161-98.4-70.5000115
380L38.8Very low43.3Very low161 Ų161140.6 Ų140.684%0.84381%0.81SS**  trans64.5101.1156.2-67.7157.6000119.3
381S41.2Very low44.4Very low121 Ų121143.7 Ų143.785%0.84681%0.812SS**  -174.3145.711932.40000112.5
382L38.2Very low45.5Very low165 Ų165144.3 Ų144.386%0.86482%0.816SS**  trans-106152.8170.9-10774000108.4
383P43.5Very low46.5Very low124 Ų124147.3 Ų147.381%0.80582%0.822SS**  -155136.991.737-16.4000118.9
384S42.6Very low47.6Very low99 Ų99145.3 Ų145.369%0.69282%0.823SS**  trans78.9158.7132.5-148.40000123
385T43.6Very low49Very low121 Ų121144.4 Ų144.474%0.74282%0.824SS**  trans62.492.316858.50000119.8
386Q49.9Very low50Low201 Ų201144.4 Ų144.494%0.93982%0.824SS**  -158.9155.4105.1-105.217162.800111
387S46.9Very low51.4Low120 Ų120140.4 Ų140.484%0.83982%0.816SS**  trans-104130.4-160.845.30000114.2
388L56.9Low52.6Low166 Ų166141 Ų14187%0.86982%0.817SS**  trans-115.1129.4164.3-74.9170.5000109.5
389N50.4Low53.1Low157 Ų157146.8 Ų146.884%0.8482%0.819SS**  trans-100.896.3179.4179.415.7000109.8
390I58Low54.1Low148 Ų148146.8 Ų146.876%0.75982%0.82SS**  trans-121.9124.8171.4-59178.2000107.9
391K61.8Low54.3Low201 Ų201150.7 Ų150.787%0.87482%0.823SS**  trans-96.698.3-167.8-176.8-179.7178.6-178.10110.7
392S61.8Low54.8Low111 Ų111151 Ų15178%0.77682%0.82SS**PPolyproline II helixtrans-79.9158.6172.943.40000112.8
393E62.2Low55.1Low185 Ų185149.4 Ų149.486%0.86482%0.817SS**PPolyproline II helixtrans-74.6157.7177.5-87.1-172.49400113.6
394P63.8Low55Low119 Ų119149.5 Ų149.577%0.77382%0.816SS**PPolyproline II helixtrans-74.7141.5179.431.3-35.4000113
395V69.2Low55Low139 Ų139150.8 Ų150.884%0.84282%0.822SS**PPolyproline II helixtrans-70.3143.6175.965.90000112.1
396S58.2Low54.7Low104 Ų104150.4 Ų150.473%0.72782%0.824SS**PPolyproline II helixtrans-82.4139.3173.3-67.70000111.9
397P70.1Confident54.1Low119 Ų119152.4 Ų152.477%0.77382%0.823SS**PPolyproline II helixtrans-67.7149-179.7-21.233.5000114.1
398P62.7Low53.7Low121 Ų121156.9 Ų156.979%0.78682%0.823SS**PPolyproline II helixtrans-71.2165.1172.932.3-36000112
399R58Low53Low246 Ų246154.1 Ų154.193%0.92882%0.815SS**  trans-134.292.7-176-160.1178.4-164171.15.5111.2
400D58.2Low52.5Low155 Ų155154.2 Ų154.283%0.82981%0.81SS**  trans-61.1151.3178.6-73.3-68.6000113.6
401R42.8Very low51.8Low242 Ų242154.1 Ų154.191%0.91381%0.807SS**  trans-150.290.8-178.1-166.3-176-167.7-158.83.6111.8
402T53.2Low50.9Low129 Ų129150.5 Ų150.579%0.79180%0.801SS**  trans-125.9113.3178.1-570000112.5
403T44.5Very low49.8Very low130 Ų130154.9 Ų154.980%0.79880%0.801SS**  trans19.5126.2146.3-46.40000121
404T41Very low49Very low126 Ų126153.6 Ų153.677%0.77379%0.794SS**  trans-66.9157.616942.40000114.4
405P41.6Very low48Very low126 Ų126155.9 Ų155.982%0.81880%0.795SS**  -147.4142.4104.136.4-19.9000118.1
406S37.8Very low47Very low114 Ų114153.8 Ų153.880%0.79779%0.792SS**  trans7.8124.8152.3-167.40000122.7
407R38.2Very low46.4Very low242 Ų242152.3 Ų152.391%0.91379%0.793SS**  -161.2141129.5-139.1174.2-176.9-1801.1113
408Y37.9Very low45.4Very low215 Ų215158.7 Ų158.784%0.84380%0.802SS**  trans-119.8159.3169.3-77.5-81.3000109.5
409P42.2Very low44.7Very low107 Ų107158.3 Ų158.370%0.69580%0.802SS**  -155.9150.493.537.9-18.1000118.9
410Q40.4Very low44.3Very low159 Ų159151.6 Ų151.674%0.74379%0.79SS**  trans58.9150.1144.3-58.5176.10.800120
411H41.9Very low44Very low147 Ų147150.8 Ų150.868%0.68179%0.79SS**  cis-155.6147.433-88.2-85.3000114.5
412T42.5Very low43.9Very low125 Ų125145.2 Ų145.277%0.76778%0.779SS**  trans57.5148.6144.460.30000121.5
413R38.8Very low43.4Very low202 Ų202143 Ų14376%0.76277%0.769SS**  cis-164.3150.5-0.8-132178.6157.3-170.8-7.2110.8
414H46Very low43.3Very low158 Ų158144.8 Ų144.873%0.73177%0.773SS**  trans61.4149162-63-69.3000118.5
415E42.2Very low43.3Very low168 Ų168143.8 Ų143.879%0.78577%0.771SS**  cis-146.8-179.7-7-138.7-172.8110.100112.9
416A48.3Very low43.1Very low95 Ų95142.8 Ų142.879%0.78577%0.767SS**  trans-39.6141.5-170.100000119.5
417G45.5Very low43.2Very low72 Ų72143.8 Ų143.874%0.74277%0.772SS**  trans-159.9-5.3179.300000121
418R50.9Low43.2Very low254 Ų254137.9 Ų137.996%0.95877%0.768SS**  trans67.9148.9-175.3-57.9178.2176.9-105-1.4116.4
419S47.6Very low43.2Very low113 Ų113132.4 Ų132.479%0.7976%0.761SS**  trans-150.6-167.8-173.755.90000108.4
420P50Low43Very low105 Ų105132.5 Ų132.568%0.68277%0.765SS**  -124.8172-56.733.4-18.6000112
421V50.1Low43.5Very low137 Ų137135.5 Ų135.583%0.8377%0.77SS**  -160.9121129.461.20000112.1
422D42.4Very low43.6Very low125 Ų125135.2 Ų135.267%0.66877%0.774SS**  trans-33.9174.2157.6-70.4-87000119.6
423S40.8Very low43.5Very low84 Ų84132.3 Ų132.359%0.58777%0.769SS**  cis178.5138.2-28.5-91.90000108
424L42.7Very low44Very low167 Ų167127.3 Ų127.387%0.87477%0.765SS**  trans62.9169.8162.2-55.7168.2000114.8
425S42.4Very low43.9Very low105 Ų105127 Ų12773%0.73477%0.769SS**  cis-146.7160.3-9.1-138.60000110.9
426S36.8Very low44.4Very low105 Ų105129 Ų12973%0.73477%0.769SS**  trans-82.6144.7168.556.60000112.3
427C40.3Very low44.2Very low134 Ų134131.9 Ų131.991%0.90577%0.766SS**  trans-162.2157.6142.1-118.10000112.8
428S37.4Very low44.1Very low118 Ų118135.7 Ų135.783%0.82577%0.77SS**  trans-140.9122.9175172.60000108.8
429S38.3Very low44.1Very low101 Ų101132.9 Ų132.971%0.70677%0.767SS**  trans-173.4142.1162.954.90000112.3
430S38.5Very low43.6Very low109 Ų109137.8 Ų137.876%0.76277%0.768SS**  trans45.7117.6142.863.20000120.8
431Y49.5Very low43.4Very low221 Ų221140.5 Ų140.587%0.86778%0.777SS**  -127.7148.5117-167.2-110.4000108.9
432D45.3Very low42.7Very low141 Ų141141.7 Ų141.775%0.75477%0.774SS**  trans-99.1172.4-174.8-166.614.4000110.8
433G40Very low42.7Very low64 Ų64144.3 Ų144.366%0.6678%0.779SS**  trans-72.4147.6174.800000113
434S49.9Very low42.7Very low98 Ų98148.4 Ų148.469%0.68579%0.789SS**  trans-145.5118.2153-172.90000109.2
435D43.6Very low42.5Very low151 Ų151145.7 Ų145.781%0.80778%0.784SS**  trans-56.5147.1157.7-89.1-75.1000110.9
436R51.7Low42.9Very low211 Ų211145.9 Ų145.980%0.79678%0.783SS**  trans-169.7103.7136.1-113.6166.9178.7138.55.6115
437E45.5Very low43.3Very low155 Ų155148.7 Ų148.772%0.72479%0.788SS**  50.9122.8127.3-59.1174.596.300119.6
438D42Very low43.4Very low151 Ų151145.7 Ų145.781%0.80778%0.779SS**  trans-45.5147.1170.2-63.5-110.5000115.1
439H50.5Low43.8Very low196 Ų196147.4 Ų147.491%0.90778%0.778SS**  trans-143.8118.4142.4-92.677.5000110.2
440R38Very low44Very low216 Ų216148.3 Ų148.382%0.81578%0.78SS**  trans-70.1151.4169.3-83.8174.2155.8174-9.3111
441N45.3Very low44.2Very low162 Ų162154.8 Ų154.887%0.86679%0.788SS**  trans-160.9115.1137.7-102-24.5000110.5
442E36Very low44Very low162 Ų162149.3 Ų149.376%0.75778%0.779SS**  trans-75.4155.3158.2-63.1166.382.300109.1
443F43Very low43.6Very low180 Ų180147.9 Ų147.979%0.78978%0.78SS**  trans-163.9103.5143.3-110.1-72.4000112.1
444H39.8Very low44.1Very low169 Ų169149.6 Ų149.678%0.78278%0.78SS**  trans65.5127.8147.8-77-127.5000122.9
445S39.3Very low44.1Very low110 Ų110152.2 Ų152.277%0.76979%0.786SS**  trans-89.8-164.4153.4-41.70000109.2
446P49.9Very low43.9Very low110 Ų110153.4 Ų153.471%0.71479%0.787SS**  cis-149.7-160.322.639.8-13.7000117.4
447I44.6Very low43.6Very low163 Ų163153.7 Ų153.784%0.83679%0.788SS**  trans83137.7162.1-63.9159.5000117.4
448G42.4Very low43.6Very low71 Ų71153.7 Ų153.773%0.73279%0.788SS**  trans-173.2-25.9-178.900000122.6
449L46Very low43.4Very low154 Ų154152 Ų15281%0.80679%0.788SS**  trans66.3135.1166.9-68.3163.8000123.1
450T42.9Very low43.3Very low121 Ų121148.4 Ų148.474%0.74278%0.782SS**  trans75.3101.5139.449.90000126.1
451R42.5Very low43.6Very low244 Ų244143.6 Ų143.692%0.92178%0.782SS**  68.8160116.1-88.4-148.9139.7-170-4.5123
452P45.3Very low43.6Very low106 Ų106142 Ų14269%0.68878%0.777SS**  trans-142.6-159.7-138.746.9-26.6000117
453S37.6Very low44.3Very low111 Ų111142.7 Ų142.778%0.77678%0.778SS**  trans79.9163.4165.5-1130000116.6
454P50.3Low44.6Very low101 Ų101144.6 Ų144.666%0.65678%0.78SS**  cis-137.8-174.26.743.6-26.2000117.9
455D49.2Very low44.7Very low152 Ų152144.2 Ų144.281%0.81378%0.78SS**  trans92.2147.8144.3-82-58.3000123.5
456E39.2Very low45.2Very low176 Ų176150.3 Ų150.382%0.82279%0.786SS**  trans-111.3151.1-171-50.9178.497.200112.3
457R46.9Very low45.2Very low217 Ų217152.1 Ų152.182%0.81979%0.789SS**  176152.6124.4-100.2167.6-180-102.42.2115.9
458E45.4Very low45.6Very low156 Ų156149.3 Ų149.373%0.72978%0.784SS**  trans60.7119.3150-75.1162.57200121.6
459S37.4Very low45.7Very low115 Ų115155.6 Ų155.680%0.80479%0.794SS**  trans-114.6-174.5165.1-72.70000108.4
460P48.9Very low46.4Very low121 Ų121151.6 Ų151.679%0.78679%0.79SS**  cis-129166.1-45.433.5-18.8000112.3
461S43.2Very low46.5Very low115 Ų115158.5 Ų158.580%0.80480%0.803SS**  trans-155114.3158.5-152.60000117.5
462V46.4Very low47.2Very low128 Ų128151.6 Ų151.678%0.77680%0.798SS**  trans16.3111.1144.3-169.20000119.3
463K49.9Very low47.6Very low177 Ų177157 Ų15777%0.7783%0.829SS**  -164.5108.6129.1-107.8150.1-170165.90116.3
464R50.1Low48.1Very low220 Ų220159.3 Ų159.383%0.8383%0.832SS**  61.498.2126.1-154.9176.1-66.9152.9-5.4119.3
465M40.5Very low48Very low160 Ų160162.3 Ų162.379%0.78884%0.841SS**  trans-39.4141.1159.9177-176.874.800115.1L467M465-L467 HydrophobicContact SD-CD1 4.21Å
466R51.2Low48Very low239 Ų239162.9 Ų162.990%0.90284%0.843SS**  trans-140.5138.7152.9-161.1176.1-171.8102.10.5109.9
467L49.7Very low48.5Very low148 Ų148162.1 Ų162.178%0.77584%0.844SS**  trans-111.8139.9178.2-82.5156.4000110.2M465M465-L467 HydrophobicContact SD-CD1 4.21Å
468S52.5Low48.6Very low104 Ų104158.7 Ų158.773%0.72785%0.845SS**  trans-160.299.7163.449.10000105.6
469E44.9Very low48.8Very low203 Ų203158.9 Ų158.995%0.94985%0.853SS**  63.8122.989.5-77.3-165.713800113.9
470G60.7Low49.6Very low70 Ų70162 Ų16272%0.72286%0.857SS**  trans159.188.3-173.600000111.7
471W44Very low49.7Very low266 Ų266165.2 Ų165.2100%1.00886%0.862SS**  trans-150.292.3170.7-92.592.4000108.7
472A58.3Low50.2Low99 Ų99169.3 Ų169.382%0.81887%0.867SS**  trans-168.676170.600000113.4
473T54.5Low50.5Low218 Ų218173.1 Ų173.1100%1.33788%0.875SS**  trans-152.90150.150.30000107.5

Retrieved 473 of 473 residues in 1661.7 ms (Link to these results)