A0A096MJ29_RAT Loading...

Myocyte enhancer factor 2C

AlphaFold DB (A0A096MK43), UniProt , Accession A0A096MJ29, Species RAT (Rattus norvegicus, Rat), Gene Mef2c, Length 463 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
1M65.7Low92Very high229 Ų229149.9 Ų149.9100%1.12872%0.719SS**  0133.20-177.515561.600109
2G86.9Confident92.4Very high67 Ų67149.3 Ų149.369%0.69172%0.717SS**  trans-79.3175.8-174.700000115
3R91.3Very high92.8Very high258 Ų258143.5 Ų143.597%0.97469%0.693SS**PPolyproline II helixtrans-74.7125.2171.8-61-179.1-173.9178.13109.3
4K94.3Very high93.1Very high175 Ų175141.2 Ų141.276%0.76168%0.68SS**PPolyproline II helixtrans-94.7150.8170.6-64.8-172.2176.9-173.40110.5
5K94.4Very high93.4Very high212 Ų212145.1 Ų145.192%0.92269%0.685SS**PPolyproline II helixtrans-64.1143.3167.5-172.3177.9-180-177.70108.8
6I95.1Very high93.6Very high90 Ų90141.6 Ų141.646%0.46267%0.672SS.*  trans-131.4153.5172.667.2173.2000109.4
7Q96.5Very high93.8Very high158 Ų158135.8 Ų135.874%0.73864%0.642SS**  trans-70.1158.1171.2-69.2174.7-16.700111T9Q7-T9 VanDerWaalsContact C-N 3.33Å; Q7-T9 HydrophobicContact CB-CG2 4.39Å; Q7-T9 PolarHBondContact O-N 2.62Å
8I96.5Very high94Very high144 Ų144133.4 Ų133.474%0.73863%0.631SS**SBendtrans-92.171.3176.4-52.3-57000108.9
9T96.9Very high94.2Very high98 Ų98130.3 Ų130.360%0.60162%0.621SS**SBendtrans-131.7169.8178.554.40000110.3Q7 I11Q7-T9 VanDerWaalsContact C-N 3.33Å; Q7-T9 HydrophobicContact CB-CG2 4.39Å; Q7-T9 PolarHBondContact O-N 2.62Å; T9-I11 PolarHBondContact O-N 3.13Å
10R96.6Very high94.4Very high168 Ų168125.6 Ų125.663%0.63460%0.601SS**  trans-65.2117.1178.1-178.3175.3178.9147.5-1.1110.1M12R10-M12 HydrophobicContact CB-SD 4.44Å; R10-M12 HydrophobicContact CG-SD 4.1Å; R10-M12 PolarHBondContact O-N 2.88Å; R10-M12 VanDerWaalsContact O-N 3.16Å
11I97.5Very high94.5Very high50 Ų50121.9 Ų121.926%0.25658%0.582SS.*  trans-66.5113.8172.8-58173.3000108.4T9 N16 R17 T20T9-I11 PolarHBondContact O-N 3.13Å; I11-N16 HydrophobicContact CG2-CB 4.18Å; I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.32Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.25Å; I11-T20 HydrophobicContact CD1-CG2 3.74Å
12M97.5Very high96.1Very high143 Ų143114.5 Ų114.570%0.70455%0.551SS**  trans-74.9-43.3-174-64.3-51.1-6100113.2R10 E14 R17R10-M12 HydrophobicContact CB-SD 4.44Å; R10-M12 HydrophobicContact CG-SD 4.1Å; R10-M12 PolarHBondContact O-N 2.88Å; R10-M12 VanDerWaalsContact O-N 3.16Å; M12-E14 PolarHBondContact O-N 2.91Å; M12-R17 PolarHBondContact O-NH1 3.17Å; M12-R17 VanDerWaalsContact O-NH1 3.1Å
13D97.3Very high96.5Very high74 Ų74118.6 Ų118.640%0.39655%0.549SS..SBendtrans-60.8118.2173.6171.3-1.8000111.2R15 N16 R17D13-R15 PolarHBondContact O-N 3.19Å; D13-R15 WeakPolarHBondContact OD1-CB 3.35Å; D13-R15 PolarHBondContact OD1-N 2.92Å; D13-N16 HydrophobicContact CB-CB 4.17Å; D13-N16 PolarHBondContact O-N 3.34Å; D13-N16 PolarHBondContact OD1-N 3.22Å; D13-N16 WeakPolarHBondContact OD2-CB 3.5Å; D13-N16 PolarHBondContact OD2-ND2 3.41Å; D13-R17 VanDerWaalsContact O-CB 3.24Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.37Å
14E97.2Very high96.9Very high111 Ų111113 Ų11352%0.51953%0.528SS..Hα-helixtrans-57.9-43.5-179.9-161.464.8-116.800113.2M12 R17 Q18M12-E14 PolarHBondContact O-N 2.91Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-R17 IonicContact OE1-CZ 3.14Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 IonicContact OE1-NH2 2.86Å; E14-R17 PolarHBondContact OE1-NH2 3.36Å; E14-R17 IonicContact OE2-CZ 3.84Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.49Å; E14-R17 PolarHBondContact OE2-NH2 3.13Å; E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 3.39Å
15R97.6Very high97.1Very high199 Ų199106.7 Ų106.775%0.75150%0.501SS*.Hα-helixtrans-68-46.9-176.1-174.6-174.4-68140-3.5109.9D13 Q18 V19D13-R15 PolarHBondContact O-N 3.19Å; D13-R15 WeakPolarHBondContact OD1-CB 3.35Å; D13-R15 PolarHBondContact OD1-N 2.92Å; R15-Q18 PolarHBondContact O-N 3.37Å; R15-V19 WeakPolarHBondContact O-CB 3.25Å; R15-V19 WeakPolarHBondContact O-CG2 3.4Å; R15-V19 PolarHBondContact O-N 2.97Å
16N96.6Very high97.3Very high90 Ų90103.6 Ų103.648%0.48149%0.488SS..Hα-helixtrans-68.2-34.1175.8-85.8-49.9000112.3I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.18Å; D13-N16 HydrophobicContact CB-CB 4.17Å; D13-N16 PolarHBondContact O-N 3.34Å; D13-N16 PolarHBondContact OD1-N 3.22Å; D13-N16 WeakPolarHBondContact OD2-CB 3.5Å; D13-N16 PolarHBondContact OD2-ND2 3.41Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.32Å; N16-T20 PolarHBondContact O-OG1 3.1Å
17R97.7Very high97.4Very high42 Ų42101 Ų10116%0.15848%0.483CS..Hα-helixtrans-64.4-48.4173.5-17416766.9-1117.4111.4I11 M12 D13 E14 T20 F21I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.32Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.25Å; M12-R17 PolarHBondContact O-NH1 3.17Å; M12-R17 VanDerWaalsContact O-NH1 3.1Å; D13-R17 VanDerWaalsContact O-CB 3.24Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.37Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-R17 IonicContact OE1-CZ 3.14Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 IonicContact OE1-NH2 2.86Å; E14-R17 PolarHBondContact OE1-NH2 3.36Å; E14-R17 IonicContact OE2-CZ 3.84Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.49Å; E14-R17 PolarHBondContact OE2-NH2 3.13Å; R17-T20 PolarHBondContact O-N 2.81Å; R17-F21 WeakPolarHBondContact O-CB 3.35Å; R17-F21 PolarHBondContact O-N 2.97Å
18Q97.5Very high97.5Very high93 Ų9397.7 Ų97.744%0.43547%0.47SS..Hα-helixtrans-64.8-44-179.8-179.760.66.100112.4E14 R15 T20 F21 T22E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 3.39Å; R15-Q18 PolarHBondContact O-N 3.37Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.03Å; Q18-F21 PolarHBondContact O-N 3.03Å; Q18-T22 PolarHBondContact O-N 2.98Å; Q18-T22 PolarHBondContact O-OG1 3.46Å
19V97.3Very high97.6Very high75 Ų7592 Ų9246%0.45544%0.44SS..Hα-helixtrans-63.3-39.4174.8171.40000111.4R15 K23R15-V19 WeakPolarHBondContact O-CB 3.25Å; R15-V19 WeakPolarHBondContact O-CG2 3.4Å; R15-V19 PolarHBondContact O-N 2.97Å; V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.36Å
20T96.9Very high97.7Very high36 Ų3692.5 Ų92.522%0.22143%0.434CS..Hα-helixtrans-69.6-40.4177-59.10000111.8I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.74Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.32Å; N16-T20 PolarHBondContact O-OG1 3.1Å; R17-T20 PolarHBondContact O-N 2.81Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.03Å; T20-K23 PolarHBondContact O-N 3.08Å; T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.45Å; T20-R24 WeakPolarHBondContact O-CG 3.39Å; T20-R24 PolarHBondContact O-N 3.39Å
21F98.2Very high97.8Very high47 Ų4790.8 Ų90.821%0.20643%0.431CS..Hα-helixtrans-58.7-55.6176.3175.7-101.9000110.9R17 Q18 K23 R24 K25 I47 N49 F55R17-F21 WeakPolarHBondContact O-CB 3.35Å; R17-F21 PolarHBondContact O-N 2.97Å; Q18-F21 PolarHBondContact O-N 3.03Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 3.16Å; F21-R24 PolarHBondContact O-N 2.94Å; F21-K25 HydrophobicContact CE1-CD 4.06Å; F21-K25 HydrophobicContact CZ-CD 4.02Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.21Å; F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; F21-N49 HydrophobicContact CE1-CB 4.35Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CZ 4.03Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CG 4.47Å
22T97.8Very high97.9Very high75 Ų7589 Ų8946%0.4642%0.424SS..Hα-helixtrans-54.2-44.4179-61.50000112Q18 F26Q18-T22 PolarHBondContact O-N 2.98Å; Q18-T22 PolarHBondContact O-OG1 3.46Å; T22-F26 PolarHBondContact O-N 3.45Å
23K97.1Very high97.9Very high152 Ų15288.6 Ų88.666%0.66142%0.415SS*.Hα-helixtrans-72.7-41.2-178.8-68.1173.369.71700113.2V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.36Å; T20-K23 PolarHBondContact O-N 3.08Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 3.16Å; K23-G27 PolarHBondContact O-N 2.93Å
24R98.2Very high98Very high140 Ų14087.8 Ų87.853%0.52841%0.409SS..Hα-helixtrans-71.2-39.4177-75-169.5176.2-153.7-0.7111.8T20 F21 G27 L28T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.45Å; T20-R24 WeakPolarHBondContact O-CG 3.39Å; T20-R24 PolarHBondContact O-N 3.39Å; F21-R24 PolarHBondContact O-N 2.94Å; R24-G27 PolarHBondContact O-N 2.98Å; R24-L28 WeakPolarHBondContact O-CB 3.4Å; R24-L28 PolarHBondContact O-N 3.45Å
25K98.4Very high98Very high44 Ų4487 Ų8719%0.19141%0.408CS..Hα-helixtrans-56.6-50.6174.8-170.6-17279.1720111.2F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 4.06Å; F21-K25 HydrophobicContact CZ-CD 4.02Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.21Å; K25-L28 PolarHBondContact O-N 3.17Å; K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.07Å; K25-M29 WeakPolarHBondContact O-CB 3.5Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.49Å; K25-I47 HydrophobicContact CG-CD1 3.96Å; K25-F55 HydrophobicContact CD-CB 3.86Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.87Å
26F98.5Very high98.1Very high147 Ų14778 Ų7865%0.64538%0.376SS*.Hα-helixtrans-64.2-41.6176.7-175.1-97.8000112.4T22 L28 M29 K30T22-F26 PolarHBondContact O-N 3.45Å; F26-L28 PolarHBondContact O-N 3.12Å; F26-M29 PolarHBondContact O-N 3.35Å; F26-K30 PolarHBondContact O-N 2.93Å
27G98.5Very high98.2Very high35 Ų3578.2 Ų78.236%0.36138%0.38SS..Hα-helixtrans-60.5-41.1175.200000113.5K23 R24 K30 K31K23-G27 PolarHBondContact O-N 2.93Å; R24-G27 PolarHBondContact O-N 2.98Å; G27-K30 PolarHBondContact O-N 3.4Å; G27-K31 WeakPolarHBondContact O-CG 3.25Å; G27-K31 PolarHBondContact O-N 3.16Å; G27-K31 VanDerWaalsContact O-N 3.1Å
28L98.6Very high98.2Very high89 Ų8983 Ų8347%0.46641%0.408SS..Hα-helixtrans-68.1-44.5176.9-177.461000111.6R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.4Å; R24-L28 PolarHBondContact O-N 3.45Å; K25-L28 PolarHBondContact O-N 3.17Å; F26-L28 PolarHBondContact O-N 3.12Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 2.83Å; L28-K31 PolarHBondContact O-N 3.43Å; L28-K31 VanDerWaalsContact O-N 3.08Å; L28-A32 PolarHBondContact O-N 3.48Å; L28-L45 HydrophobicContact CD2-CD1 4.2Å; L28-L45 HydrophobicContact CD2-CD2 3.96Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; L28-I47 HydrophobicContact CD2-CD1 4.32Å
29M98.5Very high98.2Very high24 Ų2482.2 Ų82.212%0.11841%0.412CS..Hα-helixtrans-59.3-40.7174-71.8167166.700111.8K25 F26 K31 A32 Y33 L45 Y57K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.07Å; K25-M29 WeakPolarHBondContact O-CB 3.5Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.49Å; F26-M29 PolarHBondContact O-N 3.35Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.96Å; M29-A32 PolarHBondContact O-N 3.41Å; M29-Y33 PolarHBondContact O-N 2.92Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; M29-Y57 HydrophobicContact CG-CG 4.3Å
30K98.6Very high98.3Very high108 Ų10886.3 Ų86.347%0.4743%0.431SS..Hα-helixtrans-62.9-37.4173.6-166.3-174.9-172.3-57.60112.2F26 G27 L28 E34F26-K30 PolarHBondContact O-N 2.93Å; G27-K30 PolarHBondContact O-N 3.4Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 2.83Å; K30-E34 IonicContact NZ-OE1 2.61Å; K30-E34 PolarHBondContact NZ-OE1 3.16Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 3.3Å
31K98.6Very high98.3Very high133 Ų13387.1 Ų87.158%0.57844%0.438SS*.Hα-helixtrans-70.9-37.5176.6-68.9-144.1135.7-61.80113.3G27 L28 M29 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.25Å; G27-K31 PolarHBondContact O-N 3.16Å; G27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 3.43Å; L28-K31 VanDerWaalsContact O-N 3.08Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.96Å; K31-E34 IonicContact NZ-OE2 3.96Å; K31-E34 PolarHBondContact NZ-OE2 3.27Å; K31-E34 PolarHBondContact O-N 3.09Å; K31-L35 WeakPolarHBondContact O-CB 3.42Å; K31-L35 PolarHBondContact O-N 3.01Å
32A98.6Very high98.2Very high12 Ų1288 Ų8810%0.09944%0.443CS..Hα-helixtrans-62.5-45.1172.500000110.7L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 3.48Å; M29-A32 PolarHBondContact O-N 3.41Å; A32-L35 PolarHBondContact O-N 3.27Å; A32-S36 WeakPolarHBondContact O-CB 3.22Å; A32-S36 PolarHBondContact O-N 3.12Å; A32-S36 PolarHBondContact O-OG 3.37Å; A32-I43 HydrophobicContact CB-CG2 4.17Å; A32-Y57 HydrophobicContact CB-CD1 3.91Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å
33Y98.6Very high98.2Very high134 Ų13486.1 Ų86.153%0.52543%0.429SS..Hα-helixtrans-57.8-52.1172.2173.7-100.2000112.5M29 L35 S36 V37 Y57M29-Y33 PolarHBondContact O-N 2.92Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.71Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 3.05Å; Y33-S36 PolarHBondContact O-OG 3.42Å; Y33-V37 HydrophobicContact CD2-CG2 4.1Å; Y33-V37 HydrophobicContact CE1-CG2 4.4Å; Y33-V37 HydrophobicContact CE2-CG2 3.67Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; Y33-V37 PolarHBondContact O-N 2.72Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.43Å
34E98.6Very high98.3Very high57 Ų5780.7 Ų80.727%0.26641%0.413SS..Hα-helixtrans-51.4-48.3176.1-76.7163.7-17800111.6K30 K31 L38K30-E34 IonicContact NZ-OE1 2.61Å; K30-E34 PolarHBondContact NZ-OE1 3.16Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 3.3Å; K31-E34 IonicContact NZ-OE2 3.96Å; K31-E34 PolarHBondContact NZ-OE2 3.27Å; K31-E34 PolarHBondContact O-N 3.09Å; E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CD1 3.48Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.07Å
35L98.6Very high98.3Very high95 Ų9575.8 Ų75.850%0.49740%0.397SS..Hα-helixtrans-67.3-43.4179.8-176.661000112.5K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.42Å; K31-L35 PolarHBondContact O-N 3.01Å; A32-L35 PolarHBondContact O-N 3.27Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.71Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.16Å; L35-L38 PolarHBondContact O-N 2.71Å; L35-C39 HydrophobicContact CD1-CB 4.38Å; L35-C39 WeakPolarHBondContact O-CB 3.25Å; L35-C39 PolarHBondContact O-N 3.44Å; L35-C39 VanDerWaalsContact O-N 3.1Å; L35-I43 HydrophobicContact CB-CD1 4.05Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.96Å
36S98.1Very high98.3Very high10 Ų1077.5 Ų77.57%0.0741%0.408CS..Hα-helixtrans-60.7-38.3179.361.80000113.1A32 Y33 D40 C41 S59A32-S36 WeakPolarHBondContact O-CB 3.22Å; A32-S36 PolarHBondContact O-N 3.12Å; A32-S36 PolarHBondContact O-OG 3.37Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 3.05Å; Y33-S36 PolarHBondContact O-OG 3.42Å; S36-D40 VanDerWaalsContact O-CA 3.31Å; S36-D40 WeakPolarHBondContact O-CA 3.5Å; S36-D40 PolarHBondContact O-N 3Å; S36-D40 VanDerWaalsContact O-N 3.16Å; S36-C41 WeakPolarHBondContact CA-O 3.1Å; S36-C41 WeakPolarHBondContact CB-O 3.43Å; S36-C41 PolarHBondContact O-N 3.02Å; S36-S59 WeakPolarHBondContact OG-CB 3.46Å
37V98.3Very high98.3Very high94 Ų9471.9 Ų71.957%0.5738%0.384SS*.Hα-helixtrans-81.3-36.2-178.8175.70000112.1Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.1Å; Y33-V37 HydrophobicContact CE1-CG2 4.4Å; Y33-V37 HydrophobicContact CE2-CG2 3.67Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; Y33-V37 PolarHBondContact O-N 2.72Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.16Å
38L98.6Very high98.3Very high144 Ų14476.5 Ų76.575%0.75439%0.394SS*.Hα-helixtrans-77.2-22.2-178.8-71171.5000113.8E34 L35E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CD1 3.48Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 2.71Å
39C98.5Very high98.2Very high75 Ų7573.5 Ų73.551%0.50738%0.379SS..THydrogen-bonded Turntrans-127.712.5-173.8-580000113.9L35 C41L35-C39 HydrophobicContact CD1-CB 4.38Å; L35-C39 WeakPolarHBondContact O-CB 3.25Å; L35-C39 PolarHBondContact O-N 3.44Å; L35-C39 VanDerWaalsContact O-N 3.1Å; C39-C41 PolarHBondContact O-N 3.36Å; C39-C41 PolarHBondContact O-SG 3.33Å
40D97.7Very high98Very high161 Ų16176 Ų7686%0.86140%0.399SS*.THydrogen-bonded Turntrans46.852.6-176.5-160.824000113.4S36S36-D40 VanDerWaalsContact O-CA 3.31Å; S36-D40 WeakPolarHBondContact O-CA 3.5Å; S36-D40 PolarHBondContact O-N 3Å; S36-D40 VanDerWaalsContact O-N 3.16Å
41C97.2Very high97.9Very high54 Ų5475 Ų7537%0.36540%0.402SS..  trans-111.9128.5-170.8-750000112.8S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.1Å; S36-C41 WeakPolarHBondContact CB-O 3.43Å; S36-C41 PolarHBondContact O-N 3.02Å; C39-C41 PolarHBondContact O-N 3.36Å; C39-C41 PolarHBondContact O-SG 3.33Å; C41-I43 HydrophobicContact CB-CD1 4.3Å; C41-I43 HydrophobicContact CB-CG1 4.2Å; C41-I43 PolarHBondContact O-N 2.86Å; C41-S59 PolarHBondContact O-OG 3.12Å
42E97.4Very high97.8Very high65 Ų6575.2 Ų75.230%0.30441%0.409SS..  trans-75.5119.4167.9-65.2-169.911800110.1K64 V65 K68E42-K64 WeakPolarHBondContact OE1-CE 3.49Å; E42-K64 IonicContact OE1-NZ 2.84Å; E42-K64 PolarHBondContact OE1-NZ 3.31Å; E42-V65 HydrophobicContact CB-CG2 4.1Å; E42-K68 IonicContact OE2-NZ 3.71Å; E42-K68 PolarHBondContact OE2-NZ 3.46Å
43I98Very high97.8Very high35 Ų3581.1 Ų81.118%0.17943%0.433CS..  trans-131.6124.6-175-59.9177.4000109.2A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.17Å; L35-I43 HydrophobicContact CB-CD1 4.05Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.96Å; C41-I43 HydrophobicContact CB-CD1 4.3Å; C41-I43 HydrophobicContact CB-CG1 4.2Å; C41-I43 PolarHBondContact O-N 2.86Å; I43-A58 CarbonylContact O-C 3.59Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.31Å; I43-S59 PolarHBondContact N-OG 3.07Å; I43-S59 PolarHBondContact O-N 3.25Å
44A98.1Very high97.7Very high39 Ų3978.6 Ų78.632%0.32243%0.428SS..EExtended strand (participates in β ladder)trans-107.8144.7165.500000110.5Y57 M62 V65A44-Y57 CarbonylContact C-O 3.51Å; A44-M62 HydrophobicContact CB-CE 4.16Å; A44-M62 HydrophobicContact CB-SD 3.93Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å
45L98.3Very high97.7Very high36 Ų3679 Ų7919%0.18843%0.429CS..EExtended strand (participates in β ladder)trans-139.9118.9179.4174.863.2000109.6L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.2Å; L28-L45 HydrophobicContact CD2-CD2 3.96Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; L45-I47 HydrophobicContact CD1-CD1 4.36Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.3Å; L45-Y57 HydrophobicContact CB-CD1 4.36Å; L45-Y57 PolarHBondContact N-O 2.87Å; L45-Y57 PolarHBondContact O-N 3.33Å
46I98.3Very high97.7Very high81 Ų8179.4 Ų79.442%0.41543%0.428SS..EExtended strand (participates in β ladder)trans-114.1129.3179.4-67174000108.7F48 L54 M62 L66I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; I46-L54 HydrophobicContact CG2-CD1 3.81Å; I46-M62 HydrophobicContact CD1-SD 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.37Å; I46-L66 HydrophobicContact CD1-CD2 4.26Å
47I98.5Very high97.7Very high29 Ų2981.2 Ų81.215%0.14943%0.434CS..EExtended strand (participates in β ladder)trans-134.6112.7-179.5-57.4171.1000109.1F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; K25-I47 HydrophobicContact CG-CD1 3.96Å; L28-I47 HydrophobicContact CD2-CD1 4.32Å; L45-I47 HydrophobicContact CD1-CD1 4.36Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.39Å; I47-F55 PolarHBondContact O-N 3.29Å
48F98.3Very high97.7Very high131 Ų13177.8 Ų77.858%0.57542%0.416SS*.EExtended strand (participates in β ladder)trans-90134163.7-63.6-81.9000109.7I46 L54I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.45Å; F48-L54 HydrophobicContact CE1-CB 3.92Å; F48-L54 HydrophobicContact CE1-CD1 3.96Å; F48-L54 HydrophobicContact CE1-CG 4.43Å; F48-L54 HydrophobicContact CE2-CD1 4.46Å; F48-L54 HydrophobicContact CZ-CD1 3.96Å
49N96.3Very high97.7Very high27 Ų2772.6 Ų72.614%0.14439%0.391CS..  trans-85.5176.7170.583.6-23.4000111.4F21 T51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.35Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; N49-T51 PolarHBondContact ND2-OG1 3.24Å; N49-T51 PolarHBondContact O-N 2.71Å; N49-T51 VanDerWaalsContact OD1-C 3.25Å; N49-T51 WeakPolarHBondContact OD1-CA 3.17Å; N49-T51 PolarHBondContact OD1-N 3.31Å; N49-T51 PolarHBondContact OD1-OG1 2.68Å; N49-N52 PolarHBondContact O-N 2.92Å; N49-N52 PolarHBondContact OD1-N 3.28Å; N49-K53 PolarHBondContact N-O 2.68Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.3Å; N49-K53 PolarHBondContact OD1-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.09Å
50S95.2Very high97.6Very high77 Ų7773.1 Ų73.154%0.53839%0.392SS..THydrogen-bonded Turntrans-68.46.6176.560.80000115.6
51T96Very high97.5Very high86 Ų8669.4 Ų69.453%0.52837%0.372SS..THydrogen-bonded Turntrans-122.526.7169.771.80000110.7N49 K53N49-T51 PolarHBondContact ND2-OG1 3.24Å; N49-T51 PolarHBondContact O-N 2.71Å; N49-T51 VanDerWaalsContact OD1-C 3.25Å; N49-T51 WeakPolarHBondContact OD1-CA 3.17Å; N49-T51 PolarHBondContact OD1-N 3.31Å; N49-T51 PolarHBondContact OD1-OG1 2.68Å; T51-K53 PolarHBondContact O-N 2.96Å
52N96.4Very high97.6Very high138 Ų13867.6 Ų67.674%0.73836%0.359SS*.  trans52.221.8179.6-59.4-10.5000115.6N49 L54N49-N52 PolarHBondContact O-N 2.92Å; N49-N52 PolarHBondContact OD1-N 3.28Å; N52-L54 PolarHBondContact O-N 2.99Å
53K97.8Very high97.5Very high135 Ų13570.2 Ų70.259%0.58738%0.375SS*.  trans-78.8122.6172.7-65.6-173.4177.5-170.90109N49 T51 F55N49-K53 PolarHBondContact N-O 2.68Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.3Å; N49-K53 PolarHBondContact OD1-N 3.29Å; T51-K53 PolarHBondContact O-N 2.96Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.4Å; K53-F55 WeakPolarHBondContact O-CD2 3.41Å; K53-F55 WeakPolarHBondContact O-CE2 3.49Å
54L98Very high97.5Very high82 Ų8274 Ų7443%0.42939%0.39SS..EExtended strand (participates in β ladder)trans-70.9134.1173.8176.458.7000110.8I46 F48 N52 Q56I46-L54 HydrophobicContact CG2-CD1 3.81Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.45Å; F48-L54 HydrophobicContact CE1-CB 3.92Å; F48-L54 HydrophobicContact CE1-CD1 3.96Å; F48-L54 HydrophobicContact CE1-CG 4.43Å; F48-L54 HydrophobicContact CE2-CD1 4.46Å; F48-L54 HydrophobicContact CZ-CD1 3.96Å; N52-L54 PolarHBondContact O-N 2.99Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å
55F98.4Very high97.4Very high65 Ų6573 Ų7329%0.28538%0.38SS..EExtended strand (participates in β ladder)trans-130.5125163.1-57.6-94.4000107.6F21 K25 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CZ 4.03Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CG 4.47Å; K25-F55 HydrophobicContact CD-CB 3.86Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.87Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.39Å; I47-F55 PolarHBondContact O-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.09Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.4Å; K53-F55 WeakPolarHBondContact O-CD2 3.41Å; K53-F55 WeakPolarHBondContact O-CE2 3.49Å
56Q98.1Very high97.3Very high103 Ų10374.6 Ų74.648%0.48139%0.388SS..EExtended strand (participates in β ladder)trans-124162.4-176.581.8-163.649.800112.4L45 L54 M62L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.3Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å; Q56-M62 HydrophobicContact CB-CE 3.81Å; Q56-M62 HydrophobicContact CG-CE 4.01Å
57Y98.5Very high97.2Very high48 Ų4875.6 Ų75.619%0.18839%0.394CS..EExtended strand (participates in β ladder)trans-150.7138.4170.4165.9-96.2000109.2M29 A32 Y33 A44 L45 S59 M62M29-Y57 HydrophobicContact CG-CG 4.3Å; A32-Y57 HydrophobicContact CB-CD1 3.91Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.43Å; A44-Y57 CarbonylContact C-O 3.51Å; L45-Y57 HydrophobicContact CB-CD1 4.36Å; L45-Y57 PolarHBondContact N-O 2.87Å; L45-Y57 PolarHBondContact O-N 3.33Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å
58A98.3Very high97.1Very high23 Ų2377.9 Ų77.919%0.1940%0.403CS..EExtended strand (participates in β ladder)trans-124.1150165.900000108.8I43 M62I43-A58 CarbonylContact O-C 3.59Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.31Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.17Å
59S97.6Very high96.9Very high34 Ų3479.3 Ų79.324%0.23841%0.405CS..SBendtrans-74.3-28.7167.857.80000112.8S36 C41 I43 Y57S36-S59 WeakPolarHBondContact OG-CB 3.46Å; C41-S59 PolarHBondContact O-OG 3.12Å; I43-S59 PolarHBondContact N-OG 3.07Å; I43-S59 PolarHBondContact O-N 3.25Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å
60T96.4Very high96.8Very high86 Ų8682.8 Ų82.853%0.52843%0.428SS..SBendtrans-119.6-89.8174.552.90000110.7
61D97Very high96.7Very high83 Ų8385.3 Ų85.344%0.44443%0.431SS..  trans-134.1138.7-179.2-177-73.9000109.6D63 K64 V65D61-D63 PolarHBondContact OD1-N 3.45Å; D61-K64 HydrophobicContact CB-CB 3.88Å; D61-K64 PolarHBondContact OD1-N 2.83Å; D61-V65 VanDerWaalsContact O-CG2 3.31Å; D61-V65 WeakPolarHBondContact O-CG2 3.19Å; D61-V65 PolarHBondContact O-N 2.98Å
62M97.8Very high96.4Very high16 Ų1688.8 Ų88.88%0.07944%0.436CS..Hα-helixtrans-70.4-45.1-175.9-179.961.757.800111.7A44 I46 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-CE 4.16Å; A44-M62 HydrophobicContact CB-SD 3.93Å; I46-M62 HydrophobicContact CD1-SD 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.37Å; Q56-M62 HydrophobicContact CB-CE 3.81Å; Q56-M62 HydrophobicContact CG-CE 4.01Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.17Å; M62-K64 VanDerWaalsContact C-N 3.34Å; M62-V65 PolarHBondContact O-N 3.41Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.33Å; M62-L66 WeakPolarHBondContact O-CB 3.45Å; M62-L66 VanDerWaalsContact O-CG 3.3Å; M62-L66 WeakPolarHBondContact O-CG 3.28Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CG 3.97Å
63D97Very high95.5Very high120 Ų12090.4 Ų90.464%0.64244%0.444SS*.Hα-helixtrans-72.5-35.4-174.1-61.3-17.1000109.6D61 L66 L67D61-D63 PolarHBondContact OD1-N 3.45Å; D63-L66 PolarHBondContact O-N 3.2Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.28Å
64K96.9Very high95Very high114 Ų11491.8 Ų91.850%0.49645%0.453SS..Hα-helixtrans-58.7-47.9170.3-168.6-158.8176.9-159.60112.4E42 D61 M62 K68E42-K64 WeakPolarHBondContact OE1-CE 3.49Å; E42-K64 IonicContact OE1-NZ 2.84Å; E42-K64 PolarHBondContact OE1-NZ 3.31Å; D61-K64 HydrophobicContact CB-CB 3.88Å; D61-K64 PolarHBondContact OD1-N 2.83Å; M62-K64 VanDerWaalsContact C-N 3.34Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 3.25Å
65V96.9Very high94.6Very high19 Ų1991.2 Ų91.212%0.11545%0.454CS..Hα-helixtrans-73.5-33-177.3176.90000111.6E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.1Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å; D61-V65 VanDerWaalsContact O-CG2 3.31Å; D61-V65 WeakPolarHBondContact O-CG2 3.19Å; D61-V65 PolarHBondContact O-N 2.98Å; M62-V65 PolarHBondContact O-N 3.41Å; V65-Y69 WeakPolarHBondContact O-CB 3.39Å; V65-Y69 PolarHBondContact O-N 3.03Å
66L96.5Very high94.2Very high69 Ų6997.7 Ų97.736%0.36149%0.485SS..Hα-helixtrans-70.6-41.1173.5-71176000112.6I46 M62 D63 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.26Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.33Å; M62-L66 WeakPolarHBondContact O-CB 3.45Å; M62-L66 VanDerWaalsContact O-CG 3.3Å; M62-L66 WeakPolarHBondContact O-CG 3.28Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CG 3.97Å; D63-L66 PolarHBondContact O-N 3.2Å; L66-Y69 WeakPolarHBondContact O-CB 3.23Å; L66-Y69 PolarHBondContact O-N 3.14Å; L66-T70 PolarHBondContact O-N 3.23Å; L66-T70 PolarHBondContact O-OG1 3.12Å
67L96Very high94Very high103 Ų10398.8 Ų98.854%0.53949%0.49SS..Hα-helixtrans-59.2-50.7173.3177.661.7000110.4D63 Y69 T70 E71D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.28Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.01Å; L67-T70 PolarHBondContact O-N 3.49Å; L67-T70 PolarHBondContact O-OG1 3.24Å; L67-E71 WeakPolarHBondContact O-CG 3.38Å; L67-E71 PolarHBondContact O-N 3.15Å; L67-E71 VanDerWaalsContact O-N 3.16Å
68K95Very high93.7Very high77 Ų77100.5 Ų100.534%0.33551%0.509SS..Hα-helixtrans-54.6-44.7173.9-172.2-177.3-172-1740111.5E42 K64 T70 E71 Y72E42-K68 IonicContact OE2-NZ 3.71Å; E42-K68 PolarHBondContact OE2-NZ 3.46Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 3.25Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 2.91Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 2.68Å; K68-E71 VanDerWaalsContact O-N 3.07Å; K68-Y72 HydrophobicContact CG-CD2 4.32Å; K68-Y72 HydrophobicContact CG-CE2 3.87Å; K68-Y72 VanDerWaalsContact O-CD2 3.27Å; K68-Y72 WeakPolarHBondContact O-CD2 3.35Å; K68-Y72 PolarHBondContact O-N 3.17Å
69Y95.1Very high93.6Very high160 Ų160107.1 Ų107.163%0.62753%0.529SS*.Hα-helixtrans-59.2-38.2175.9174.4-95.7000112.6V65 L66 L67 E71 Y72V65-Y69 WeakPolarHBondContact O-CB 3.39Å; V65-Y69 PolarHBondContact O-N 3.03Å; L66-Y69 WeakPolarHBondContact O-CB 3.23Å; L66-Y69 PolarHBondContact O-N 3.14Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 2.86Å; Y69-Y72 PolarHBondContact O-N 3.04Å
70T94.3Very high93.6Very high100 Ų100108.6 Ų108.661%0.61354%0.536SS*.Hα-helixtrans-74-13175.454.40000115L66 L67 K68L66-T70 PolarHBondContact O-N 3.23Å; L66-T70 PolarHBondContact O-OG1 3.12Å; L67-T70 PolarHBondContact O-N 3.49Å; L67-T70 PolarHBondContact O-OG1 3.24Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 2.91Å
71E93.4Very high93.6Very high130 Ų130111.1 Ų111.161%0.60755%0.547SS*.Hα-helixtrans-84.3-18.7174.1-67.2167.5176.400112.7L67 K68 Y69L67-E71 WeakPolarHBondContact O-CG 3.38Å; L67-E71 PolarHBondContact O-N 3.15Å; L67-E71 VanDerWaalsContact O-N 3.16Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 2.68Å; K68-E71 VanDerWaalsContact O-N 3.07Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 2.86Å
72Y89.8Confident93.5Very high159 Ų159111 Ų11162%0.62455%0.552SS**  trans-96.6111.7175.8-73.3-83000111.3K68 Y69 E74K68-Y72 HydrophobicContact CG-CD2 4.32Å; K68-Y72 HydrophobicContact CG-CE2 3.87Å; K68-Y72 VanDerWaalsContact O-CD2 3.27Å; K68-Y72 WeakPolarHBondContact O-CD2 3.35Å; K68-Y72 PolarHBondContact O-N 3.17Å; Y69-Y72 PolarHBondContact O-N 3.04Å; Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 3.36Å
73N76.1Confident93.4Very high172 Ų172112.6 Ų112.692%0.9256%0.561SS**SBendtrans-63.1-27-178.7-67.3-35.8000114.6
74E87.3Confident93.3Very high164 Ų164111.1 Ų111.177%0.76655%0.553SS**SBendtrans-147.3132.2-176.9-167.8169.7-16300111.1Y72Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 3.36Å
75P90.6Very high93.2Very high70 Ų70109.5 Ų109.546%0.45555%0.552SS.*  trans-78.7133.2178.331.4-34.6000111.8E77P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.1Å
76H90.3Very high93Very high202 Ų202114.1 Ų114.194%0.93557%0.572SS**SBendtrans-59.8-34.1179.5-178.765.3000113.8
77E93.6Very high92.8Very high126 Ų126113.7 Ų113.759%0.58958%0.579SS**SBendtrans-135.3130.7167.3-177.5174.2-159.600108.8P75 R79P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.1Å; E77-R79 HydrophobicContact CG-CG 4.16Å; E77-R79 IonicContact OE1-CZ 3.03Å; E77-R79 IonicContact OE1-NE 2.9Å; E77-R79 PolarHBondContact OE1-NE 3.16Å; E77-R79 IonicContact OE1-NH2 3.99Å; E77-R79 PolarHBondContact OE1-NH2 2.86Å
78S93.1Very high92.6Very high84 Ų84114 Ų11459%0.58758%0.58SS**  trans-119.8137.7171.6-172.80000109.3
79R95.2Very high92.5Very high162 Ų162114.7 Ų114.761%0.61159%0.588SS**  trans-139.3135.6-179.1-66.1-64.3-177.7-167.4-6.1111.5E77E77-R79 HydrophobicContact CG-CG 4.16Å; E77-R79 IonicContact OE1-CZ 3.03Å; E77-R79 IonicContact OE1-NE 2.9Å; E77-R79 PolarHBondContact OE1-NE 3.16Å; E77-R79 IonicContact OE1-NH2 3.99Å; E77-R79 PolarHBondContact OE1-NH2 2.86Å
80T97Very high92.2Very high64 Ų64113.1 Ų113.139%0.39358%0.584SS.*  trans-117.2172.3179.269.50000110.5S82 D83 I84T80-S82 PolarHBondContact O-N 3Å; T80-S82 PolarHBondContact OG1-OG 3.15Å; T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 2.77Å; T80-D83 PolarHBondContact O-N 2.98Å; T80-D83 PolarHBondContact OG1-OD1 3.45Å; T80-D83 PolarHBondContact OG1-OD2 3.24Å; T80-I84 WeakPolarHBondContact O-CG1 3.43Å; T80-I84 PolarHBondContact O-N 3.29Å
81N96.2Very high91.7Very high139 Ų139116.4 Ų116.474%0.74359%0.59SS**Hα-helixtrans-62.2-30.2177.9-71.38000112.9V85N81-V85 VanDerWaalsContact O-CG2 3.29Å; N81-V85 WeakPolarHBondContact O-CG2 3.43Å; N81-V85 PolarHBondContact O-N 2.82Å; N81-V85 VanDerWaalsContact O-N 3.12Å
82S95.9Very high90.9Very high80 Ų80117.7 Ų117.756%0.55960%0.596SS**Hα-helixtrans-63.3-50.7175.411.90000111.4T80 I84 V85 E86T80-S82 PolarHBondContact O-N 3Å; T80-S82 PolarHBondContact OG1-OG 3.15Å; S82-I84 VanDerWaalsContact C-N 3.27Å; S82-I84 PolarHBondContact O-N 2.93Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-V85 VanDerWaalsContact O-N 3.07Å; S82-E86 PolarHBondContact O-N 2.97Å
83D95.2Very high89.5Confident51 Ų51115.6 Ų115.627%0.27360%0.596SS.*Hα-helixtrans-64.4-36.4-176-37.4-41.8000111.2T80 A87T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 2.77Å; T80-D83 PolarHBondContact O-N 2.98Å; T80-D83 PolarHBondContact OG1-OD1 3.45Å; T80-D83 PolarHBondContact OG1-OD2 3.24Å; D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.37Å; D83-A87 PolarHBondContact O-N 3.45Å
84I94.9Very high88.7Confident89 Ų89114.3 Ų114.346%0.45658%0.582SS.*Hα-helixtrans-67.4-39.7175.3-64.2167.1000111T80 S82 L88T80-I84 WeakPolarHBondContact O-CG1 3.43Å; T80-I84 PolarHBondContact O-N 3.29Å; S82-I84 VanDerWaalsContact C-N 3.27Å; S82-I84 PolarHBondContact O-N 2.93Å; I84-L88 HydrophobicContact CG2-CD1 4.28Å; I84-L88 VanDerWaalsContact O-CG 3.25Å; I84-L88 WeakPolarHBondContact O-CG 3.32Å; I84-L88 PolarHBondContact O-N 3.21Å; I84-L88 VanDerWaalsContact O-N 3.15Å
85V94.6Very high87Confident79 Ų79110 Ų11048%0.47958%0.581SS.*Hα-helixtrans-69.4-42.9176.4168.50000111.2N81 S82 L88 N89N81-V85 VanDerWaalsContact O-CG2 3.29Å; N81-V85 WeakPolarHBondContact O-CG2 3.43Å; N81-V85 PolarHBondContact O-N 2.82Å; N81-V85 VanDerWaalsContact O-N 3.12Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-V85 VanDerWaalsContact O-N 3.07Å; V85-L88 PolarHBondContact O-N 2.89Å; V85-N89 VanDerWaalsContact O-CG 3.23Å; V85-N89 PolarHBondContact O-N 3.07Å; V85-N89 PolarHBondContact O-OD1 3.32Å
86E93.7Very high85.1Confident116 Ų116111.1 Ų111.154%0.54259%0.59SS.*Hα-helixtrans-60.8-46.9175.4-165.3-157.1134.400111.1S82 L88 N89 K90S82-E86 PolarHBondContact O-N 2.97Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.36Å; E86-N89 PolarHBondContact O-N 3.37Å; E86-K90 VanDerWaalsContact O-CB 3.23Å; E86-K90 WeakPolarHBondContact O-CB 3.49Å; E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 IonicContact OE1-NZ 3.32Å
87A92.1Very high83Confident60 Ų60108.3 Ų108.350%0.49658%0.578SS.*Hα-helixtrans-61.2-32.6179.100000113.2D83 K91D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.37Å; D83-A87 PolarHBondContact O-N 3.45Å; A87-K91 WeakPolarHBondContact O-CB 3.16Å; A87-K91 PolarHBondContact O-N 3.23Å
88L92.1Very high81.1Confident110 Ų110106.7 Ų106.758%0.57658%0.58SS**Hα-helixtrans-71.2-49.4173-71.9168.9000111.4I84 V85 E86 K90 K91 E92I84-L88 HydrophobicContact CG2-CD1 4.28Å; I84-L88 VanDerWaalsContact O-CG 3.25Å; I84-L88 WeakPolarHBondContact O-CG 3.32Å; I84-L88 PolarHBondContact O-N 3.21Å; I84-L88 VanDerWaalsContact O-N 3.15Å; V85-L88 PolarHBondContact O-N 2.89Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.36Å; L88-K90 PolarHBondContact O-N 3.19Å; L88-K91 WeakPolarHBondContact O-CB 3.44Å; L88-K91 PolarHBondContact O-N 2.92Å; L88-K91 VanDerWaalsContact O-N 3.12Å; L88-E92 PolarHBondContact O-N 3.05Å; L88-E92 VanDerWaalsContact O-N 3.14Å
89N91.4Very high79.1Confident91 Ų91108.5 Ų108.549%0.48759%0.59SS.*Hα-helixtrans-62.8-42.3-179.4-64.5-1.7000111.7V85 E86 K91 E92 N93V85-N89 VanDerWaalsContact O-CG 3.23Å; V85-N89 PolarHBondContact O-N 3.07Å; V85-N89 PolarHBondContact O-OD1 3.32Å; E86-N89 PolarHBondContact O-N 3.37Å; N89-K91 PolarHBondContact O-N 3.4Å; N89-E92 WeakPolarHBondContact O-CB 3.32Å; N89-E92 PolarHBondContact O-N 3.4Å; N89-N93 PolarHBondContact O-N 2.82Å; N89-N93 PolarHBondContact O-OD1 3.45Å
90K90.3Very high76.5Confident127 Ų127107.8 Ų107.855%0.55260%0.598SS**Hα-helixtrans-62.3-26.9176.4-168.1170.9-166.71620112.8E86 L88 K94E86-K90 VanDerWaalsContact O-CB 3.23Å; E86-K90 WeakPolarHBondContact O-CB 3.49Å; E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 IonicContact OE1-NZ 3.32Å; L88-K90 PolarHBondContact O-N 3.19Å; K90-K94 PolarHBondContact O-N 3.37Å
91K83.8Confident74.3Confident170 Ų170110.6 Ų110.674%0.73962%0.618SS**Hα-helixtrans-81.1-24.3173.2-172.4167.4-177.4168.90112.9A87 L88 N89A87-K91 WeakPolarHBondContact O-CB 3.16Å; A87-K91 PolarHBondContact O-N 3.23Å; L88-K91 WeakPolarHBondContact O-CB 3.44Å; L88-K91 PolarHBondContact O-N 2.92Å; L88-K91 VanDerWaalsContact O-N 3.12Å; N89-K91 PolarHBondContact O-N 3.4Å
92E76Confident71.8Confident156 Ų156111.5 Ų111.573%0.72962%0.623SS**Hα-helixtrans-74.4-51.6173.4-161.6160150.700110.6L88 N89 K94 G95L88-E92 PolarHBondContact O-N 3.05Å; L88-E92 VanDerWaalsContact O-N 3.14Å; N89-E92 WeakPolarHBondContact O-CB 3.32Å; N89-E92 PolarHBondContact O-N 3.4Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 2.91Å; E92-G95 PolarHBondContact O-N 3.44Å
93N60.3Low69.2Low116 Ų116112.1 Ų112.162%0.6263%0.627SS**Hα-helixtrans-61.1-31.8178.9-75.951.3000114N89 G95 S96N89-N93 PolarHBondContact O-N 2.82Å; N89-N93 PolarHBondContact O-OD1 3.45Å; N93-G95 PolarHBondContact O-N 2.98Å; N93-G95 VanDerWaalsContact O-N 3.12Å; N93-S96 PolarHBondContact O-N 3.46Å; N93-S96 PolarHBondContact O-OG 3.1Å
94K60.3Low66.7Low145 Ų145115.4 Ų115.463%0.6365%0.654SS**THydrogen-bonded Turntrans-67.8-4.6175.1-84.1-168.5167.7-650114.6K90 E92 E97K90-K94 PolarHBondContact O-N 3.37Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 2.91Å; K94-E97 IonicContact NZ-OE2 3.6Å
95G51.7Low64.2Low72 Ų72120.3 Ų120.374%0.74267%0.668SS**THydrogen-bonded Turntrans-83-6.9168.100000114.7E92 N93E92-G95 PolarHBondContact O-N 3.44Å; N93-G95 PolarHBondContact O-N 2.98Å; N93-G95 VanDerWaalsContact O-N 3.12Å
96S50.7Low61.9Low94 Ų94121.2 Ų121.266%0.65768%0.684SS**  trans-143.329.9-171.265.80000114.1N93 S98N93-S96 PolarHBondContact O-N 3.46Å; N93-S96 PolarHBondContact O-OG 3.1Å; S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact O-N 3.08Å; S96-S98 VanDerWaalsContact O-N 3.16Å
97E45.3Very low59.4Low144 Ų144121.3 Ų121.367%0.67369%0.687SS**  trans-8770.3174.2-164.1170.8-176.100110.1K94K94-E97 IonicContact NZ-OE2 3.6Å
98S52.9Low57.5Low92 Ų92123 Ų12364%0.64369%0.691SS**  trans-73129.7157.7-176.20000107.5S96 D100S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact O-N 3.08Å; S96-S98 VanDerWaalsContact O-N 3.16Å; S98-D100 PolarHBondContact O-N 2.9Å
99P51.5Low55.6Low121 Ų121123 Ų12379%0.78670%0.698SS**  trans-69.2102.5-178.5-20.933.7000112.1
100D40.3Very low53.4Low147 Ų147129.4 Ų129.479%0.78672%0.715SS**  trans-73.3131.1169.4-84.6-48.7000110.5S98 D102S98-D100 PolarHBondContact O-N 2.9Å; D100-D102 PolarHBondContact O-N 3.41Å; D100-D102 VanDerWaalsContact O-N 3.09Å
101P51.5Low51.7Low123 Ų123125.5 Ų125.580%0.79970%0.702SS**SBendtrans-91.548.5-159.938-40000114.7
102D44.4Very low50.3Low159 Ų159123.6 Ų123.685%0.8570%0.696SS**  trans-130.930.4-174-114.9-33.3000114.9D100D100-D102 PolarHBondContact O-N 3.41Å; D100-D102 VanDerWaalsContact O-N 3.09Å
103S40.2Very low49.3Very low93 Ų93123.5 Ų123.565%0.6570%0.695SS**  trans-84.1111.3167.2-169.80000110.6Y105S103-Y105 WeakPolarHBondContact O-CD2 3.35Å; S103-Y105 PolarHBondContact O-N 2.92Å
104S43.8Very low49.1Very low119 Ų119125.1 Ų125.183%0.83270%0.697SS**  trans-6794.2-178-1750000112.5A106S104-A106 PolarHBondContact O-N 2.98Å
105Y41.5Very low48.8Very low193 Ų193125.5 Ų125.576%0.75770%0.696SS**  trans-77105.4170.3-80.1-85.7000110.7S103 L107S103-Y105 WeakPolarHBondContact O-CD2 3.35Å; S103-Y105 PolarHBondContact O-N 2.92Å; Y105-L107 PolarHBondContact O-N 2.6Å
106A45.6Very low49.4Very low98 Ų98128 Ų12881%0.8169%0.686SS**  trans-65.298.816700000109.9S104 T108S104-A106 PolarHBondContact O-N 2.98Å; A106-T108 PolarHBondContact O-N 2.86Å
107L42.9Very low49.9Very low118 Ų118131 Ų13162%0.61869%0.687SS**  trans-65.7130.5-178.4-65.7178000111Y105Y105-L107 PolarHBondContact O-N 2.6Å
108T51.8Low50.8Low95 Ų95128.5 Ų128.558%0.58368%0.678SS**  trans-75142.4167.350.10000109.5A106 R110 T111A106-T108 PolarHBondContact O-N 2.86Å; T108-R110 PolarHBondContact O-N 2.98Å; T108-T111 PolarHBondContact O-N 3.49Å; T108-T111 VanDerWaalsContact O-N 3.08Å; T108-T111 PolarHBondContact O-OG1 2.96Å
109P52.1Low51.5Low109 Ų109128.8 Ų128.871%0.70867%0.672SS**THydrogen-bonded Turntrans-55.2-20.7-170.9-30.536.1000116.1T111P109-T111 PolarHBondContact O-N 2.98Å
110R45.4Very low52.5Low226 Ų226127.7 Ų127.785%0.85366%0.656SS**THydrogen-bonded Turntrans-71.3-8.8179.8-157.4178.7-177.2-165.80.6114.4T108T108-R110 PolarHBondContact O-N 2.98Å
111T53.5Low53.7Low45 Ų45127.4 Ų127.428%0.27665%0.65SS.*THydrogen-bonded Turntrans-96.2-30.7179.854.70000113.5T108 P109 E113 K114 Y115T108-T111 PolarHBondContact O-N 3.49Å; T108-T111 VanDerWaalsContact O-N 3.08Å; T108-T111 PolarHBondContact O-OG1 2.96Å; P109-T111 PolarHBondContact O-N 2.98Å; T111-E113 PolarHBondContact O-N 3.16Å; T111-K114 WeakPolarHBondContact O-CB 3.24Å; T111-K114 PolarHBondContact O-N 2.84Å; T111-K114 VanDerWaalsContact O-N 3.08Å; T111-Y115 VanDerWaalsContact O-CD2 3.25Å; T111-Y115 WeakPolarHBondContact O-CD2 3.5Å; T111-Y115 PolarHBondContact O-N 3.49Å
112E54.5Low54.4Low131 Ų131127.1 Ų127.161%0.61264%0.636SS**Hα-helixtrans-59.6-45-173.9-170.9178.2168.400112.6K114 Y115 K116E112-K114 PolarHBondContact O-N 3.21Å; E112-Y115 PolarHBondContact O-N 2.99Å; E112-Y115 VanDerWaalsContact O-N 3.13Å; E112-K116 PolarHBondContact O-N 3.01Å
113E55.9Low55.7Low153 Ų153123.8 Ų123.872%0.71562%0.619SS**Hα-helixtrans-56-34.7176.9-59.8-178.9148.400112.7T111 K117T111-E113 PolarHBondContact O-N 3.16Å; E113-K117 WeakPolarHBondContact O-CB 3.19Å; E113-K117 PolarHBondContact O-N 2.8Å
114K54.8Low57Low151 Ų151124.4 Ų124.466%0.65762%0.615SS**Hα-helixtrans-73-39.2-179.9-166.4-179.5179.9-173.90111.5T111 E112 I118T111-K114 WeakPolarHBondContact O-CB 3.24Å; T111-K114 PolarHBondContact O-N 2.84Å; T111-K114 VanDerWaalsContact O-N 3.08Å; E112-K114 PolarHBondContact O-N 3.21Å; K114-I118 WeakPolarHBondContact O-CD1 3.3Å; K114-I118 WeakPolarHBondContact O-CG1 3.49Å; K114-I118 PolarHBondContact O-N 2.82Å
115Y53.7Low58Low153 Ų153123.5 Ų123.560%0.660%0.599SS**Hα-helixtrans-73-41.6176.5-70.6-72.4000112.2T111 E112 K117 I118 N119T111-Y115 VanDerWaalsContact O-CD2 3.25Å; T111-Y115 WeakPolarHBondContact O-CD2 3.5Å; T111-Y115 PolarHBondContact O-N 3.49Å; E112-Y115 PolarHBondContact O-N 2.99Å; E112-Y115 VanDerWaalsContact O-N 3.13Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.27Å; Y115-I118 PolarHBondContact O-N 3.1Å; Y115-I118 VanDerWaalsContact O-N 3.16Å; Y115-N119 PolarHBondContact O-N 3.13Å
116K64.6Low59.1Low125 Ų125119.3 Ų119.354%0.54359%0.588SS.*Hα-helixtrans-58.9-40.7177.4-169172-174.7-68.50112E112 N119 E120E112-K116 PolarHBondContact O-N 3.01Å; K116-N119 PolarHBondContact O-N 3.37Å; K116-E120 IonicContact NZ-OE1 2.62Å; K116-E120 PolarHBondContact NZ-OE1 3.24Å; K116-E120 PolarHBondContact O-N 2.77Å; K116-E120 VanDerWaalsContact O-N 3.1Å
117K61.6Low59.9Low155 Ų155123.4 Ų123.467%0.67459%0.588SS**Hα-helixtrans-64.9-38176.7-166.4173.8-176.3-179.40113.2E113 Y115 E121E113-K117 WeakPolarHBondContact O-CB 3.19Å; E113-K117 PolarHBondContact O-N 2.8Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.27Å; K117-E121 PolarHBondContact O-N 3.37Å; K117-E121 VanDerWaalsContact O-N 3.17Å
118I65Low60.5Low93 Ų93121.5 Ų121.548%0.47758%0.584SS.*Hα-helixtrans-67.9-38.1175.8-67165.4000110.9K114 Y115 E121 F122K114-I118 WeakPolarHBondContact O-CD1 3.3Å; K114-I118 WeakPolarHBondContact O-CG1 3.49Å; K114-I118 PolarHBondContact O-N 2.82Å; Y115-I118 PolarHBondContact O-N 3.1Å; Y115-I118 VanDerWaalsContact O-N 3.16Å; I118-E121 PolarHBondContact O-N 3.25Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.25Å
119N67.4Low60.8Low97 Ų97123 Ų12352%0.51959%0.585SS.*Hα-helixtrans-65.8-44.4177.5-161.7104.3000111.9Y115 K116 E121 F122 D123Y115-N119 PolarHBondContact O-N 3.13Å; K116-N119 PolarHBondContact O-N 3.37Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 2.83Å; N119-F122 PolarHBondContact O-N 2.9Å; N119-D123 PolarHBondContact ND2-OD2 2.83Å; N119-D123 PolarHBondContact O-N 2.84Å
120E71.9Confident60.6Low99 Ų99128 Ų12846%0.46360%0.595SS.*Hα-helixtrans-63.9-30.6176.5-72.5173.8-166.500112.6K116 N124K116-E120 IonicContact NZ-OE1 2.62Å; K116-E120 PolarHBondContact NZ-OE1 3.24Å; K116-E120 PolarHBondContact O-N 2.77Å; K116-E120 VanDerWaalsContact O-N 3.1Å; E120-N124 PolarHBondContact O-N 3.41Å; E120-N124 PolarHBondContact O-ND2 3.21Å
121E65.4Low60.9Low140 Ų140124.6 Ų124.665%0.65459%0.592SS**Hα-helixtrans-70.8-42.4172.5-171.8164.5-148.300111.8K117 I118 N119 N124 M125K117-E121 PolarHBondContact O-N 3.37Å; K117-E121 VanDerWaalsContact O-N 3.17Å; I118-E121 PolarHBondContact O-N 3.25Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 2.83Å; E121-N124 PolarHBondContact O-N 3.07Å; E121-M125 PolarHBondContact O-N 2.61Å
122F67.3Low60.3Low117 Ų117128 Ų12851%0.51362%0.615SS.*Hα-helixtrans-67.9-41.4178.9-164.3-98.6000113.2I118 N119 N124 M125 I126I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.25Å; N119-F122 PolarHBondContact O-N 2.9Å; F122-N124 VanDerWaalsContact C-N 3.34Å; F122-N124 PolarHBondContact O-N 3.22Å; F122-M125 HydrophobicContact CD2-CE 3.41Å; F122-M125 VanDerWaalsContact CD2-CE 3.41Å; F122-M125 HydrophobicContact CE2-CE 3.59Å; F122-M125 HydrophobicContact CG-CE 4.32Å; F122-M125 WeakPolarHBondContact O-CB 3.5Å; F122-M125 PolarHBondContact O-N 2.98Å; F122-M125 VanDerWaalsContact O-N 3.17Å; F122-I126 HydrophobicContact CD1-CD1 3.99Å; F122-I126 HydrophobicContact CE1-CD1 3.47Å; F122-I126 VanDerWaalsContact CE1-CD1 3.47Å; F122-I126 HydrophobicContact CE1-CG1 4.2Å; F122-I126 HydrophobicContact CZ-CD1 4.2Å; F122-I126 PolarHBondContact O-N 2.71Å
123D70.8Confident59.9Low90 Ų90126.7 Ų126.748%0.48163%0.626SS.*Hα-helixtrans-60.5-42.2174.2-91-49000111.7N119 M125 I126 K127N119-D123 PolarHBondContact ND2-OD2 2.83Å; N119-D123 PolarHBondContact O-N 2.84Å; D123-M125 VanDerWaalsContact C-N 3.31Å; D123-M125 PolarHBondContact O-N 3.24Å; D123-I126 PolarHBondContact O-N 2.84Å; D123-K127 WeakPolarHBondContact O-CB 3.34Å; D123-K127 PolarHBondContact O-N 3.34Å
124N67.6Low59Low106 Ų106125.9 Ų125.957%0.56763%0.632SS**Hα-helixtrans-66.6-31.6176-77.6-48.3000112.7E120 E121 F122 S128E120-N124 PolarHBondContact O-N 3.41Å; E120-N124 PolarHBondContact O-ND2 3.21Å; E121-N124 PolarHBondContact O-N 3.07Å; F122-N124 VanDerWaalsContact C-N 3.34Å; F122-N124 PolarHBondContact O-N 3.22Å; N124-S128 PolarHBondContact O-N 3.49Å; N124-S128 PolarHBondContact O-OG 2.97Å
125M63.8Low58.6Low100 Ų100124 Ų12449%0.49364%0.635SS.*Hα-helixtrans-69.7-42.5173.9-177172.954.900112.5E121 F122 D123 S128 H129E121-M125 PolarHBondContact O-N 2.61Å; F122-M125 HydrophobicContact CD2-CE 3.41Å; F122-M125 VanDerWaalsContact CD2-CE 3.41Å; F122-M125 HydrophobicContact CE2-CE 3.59Å; F122-M125 HydrophobicContact CG-CE 4.32Å; F122-M125 WeakPolarHBondContact O-CB 3.5Å; F122-M125 PolarHBondContact O-N 2.98Å; F122-M125 VanDerWaalsContact O-N 3.17Å; D123-M125 VanDerWaalsContact C-N 3.31Å; D123-M125 PolarHBondContact O-N 3.24Å; M125-S128 PolarHBondContact O-N 2.82Å; M125-S128 PolarHBondContact O-OG 3.48Å; M125-H129 PolarHBondContact O-ND1 3.03Å
126I65.1Low58.2Low105 Ų105122 Ų12254%0.53864%0.641SS.*Hα-helixtrans-65.4-42.9174-76.8-177.9000110.9F122 D123 S128 H129F122-I126 HydrophobicContact CD1-CD1 3.99Å; F122-I126 HydrophobicContact CE1-CD1 3.47Å; F122-I126 VanDerWaalsContact CE1-CD1 3.47Å; F122-I126 HydrophobicContact CE1-CG1 4.2Å; F122-I126 HydrophobicContact CZ-CD1 4.2Å; F122-I126 PolarHBondContact O-N 2.71Å; D123-I126 PolarHBondContact O-N 2.84Å; I126-S128 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact O-N 3.12Å; I126-H129 PolarHBondContact O-N 3.3Å; I126-H129 VanDerWaalsContact O-N 3.16Å
127K63.4Low57.2Low183 Ų183122.1 Ų122.180%0.79665%0.654SS**Hα-helixtrans-65.1-16.8-177.3-158.9170.5-168.2171.70114D123D123-K127 WeakPolarHBondContact O-CB 3.34Å; D123-K127 PolarHBondContact O-N 3.34Å
128S55.7Low56.3Low79 Ų79121.8 Ų121.855%0.55266%0.66SS**Hα-helixtrans-95.9-14.7177.243.50000114.6N124 M125 I126N124-S128 PolarHBondContact O-N 3.49Å; N124-S128 PolarHBondContact O-OG 2.97Å; M125-S128 PolarHBondContact O-N 2.82Å; M125-S128 PolarHBondContact O-OG 3.48Å; I126-S128 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact O-N 3.12Å
129H57.4Low54.9Low127 Ų127127.8 Ų127.859%0.58868%0.683SS**  trans-118.494.4-171.5-68.885000113.4M125 I126 I131M125-H129 PolarHBondContact O-ND1 3.03Å; I126-H129 PolarHBondContact O-N 3.3Å; I126-H129 VanDerWaalsContact O-N 3.16Å; H129-I131 PolarHBondContact O-N 3.05Å
130K47.3Very low53.4Low212 Ų212131.9 Ų131.992%0.92270%0.699SS**PPolyproline II helixtrans-72.6119167-76.5-173.9175.3-178.10110.7
131I51.4Low51.8Low156 Ų156135.2 Ų135.280%0.872%0.716SS**PPolyproline II helixtrans-98.9128.7178.5-57.3171.8000110.7H129H129-I131 PolarHBondContact O-N 3.05Å
132P42.5Very low50.9Low117 Ų117134 Ų13476%0.7672%0.721SS**PPolyproline II helixtrans-84.4136.9159.5-7.426.3000110.9
133A45.7Very low49.7Very low102 Ų102134.2 Ų134.284%0.84373%0.731SS**PPolyproline II helixtrans-91156.9-172.700000114.6
134V37.3Very low48.1Very low136 Ų136136.3 Ų136.382%0.82475%0.748SS**  trans-137.5136.4171.5-177.40000108.6
135P46.2Very low46.7Very low112 Ų112137.6 Ų137.673%0.72775%0.753SS**PPolyproline II helixtrans-87.3161.8-170.634.5-37000114.8
136P45.3Very low45.3Very low112 Ų112138.6 Ų138.673%0.72777%0.767SS**PPolyproline II helixtrans-81.5153179.133.6-36000113.7
137P44.1Very low43.9Very low126 Ų126139.4 Ų139.482%0.81878%0.777SS**PPolyproline II helixtrans-78.8149.4174.333-34.7000112.5
138N41.7Very low42.5Very low149 Ų149136 Ų13680%0.79778%0.776SS**PPolyproline II helixtrans-93.1134.7172.9-76-112.7000110.3
139F36.2Very low41.3Very low219 Ų219136.6 Ų136.696%0.96178%0.78SS**  trans-154.9133.8145.3-92.7-65.4000109.8
140E34.4Very low40.1Very low183 Ų183138.7 Ų138.786%0.85579%0.79SS**  trans-119.2140.6-175.2-172.8175.4-144.700109.8
141M39Very low39.3Very low168 Ų168136 Ų13683%0.82879%0.786SS**  trans-129.6102.2-177.9-84.9-75.4-72.400109.8V143M141-V143 PolarHBondContact O-N 3.46Å
142P46.3Very low38.4Very low115 Ų115133.7 Ų133.775%0.74778%0.783SS**  trans-76.9119.4-176.229.1-33.6000111.8
143V42.3Very low38.1Very low121 Ų121136.4 Ų136.473%0.73379%0.791SS**  trans-115.2100.8172.5-179.50000109.5M141 I145M141-V143 PolarHBondContact O-N 3.46Å; V143-I145 HydrophobicContact CG1-CG1 4.4Å
144T37.8Very low37.3Very low134 Ų134137.6 Ų137.682%0.82279%0.787SS**  trans-83.3117-179.4-47.90000111.2
145I36.9Very low37Very low133 Ų133141.5 Ų141.568%0.68279%0.788SS**  trans-109.8123.3172.9-56.9178.1000109.1V143 V147V143-I145 HydrophobicContact CG1-CG1 4.4Å; I145-V147 PolarHBondContact O-N 3.22Å
146P35.4Very low36.3Very low121 Ų121141.1 Ų141.179%0.78679%0.788SS**  trans-77.2122.2174.830.5-32.5000111
147V35.8Very low35.6Very low122 Ų122143 Ų14374%0.73979%0.793SS**  trans-97.5119.5175.2175.40000110.1I145I145-V147 PolarHBondContact O-N 3.22Å
148S33.1Very low35.9Very low111 Ų111143 Ų14378%0.77679%0.792SS**  trans-101.295.9168.540.60000110.3
149S31.4Very low35.4Very low93 Ų93142.9 Ų142.965%0.6580%0.797SS**  trans-96.3120.2-171.7470000113.5
150H31.9Very low35.1Very low170 Ų170137.9 Ų137.979%0.78779%0.789SS**  trans-140.7148.1170.6-57.7-58.8000111.2
151N30.4Very low34.9Very low156 Ų156134.6 Ų134.683%0.83479%0.786SS**  trans60.289.9178.1-73.38.2000117.9
152S32.8Very low34.7Very low108 Ų108134.8 Ų134.876%0.75579%0.79SS**PPolyproline II helixtrans-100.2137.8135.951.40000109.1
153L35Very low34.1Very low174 Ų174132.9 Ų132.991%0.91179%0.791SS**PPolyproline II helixtrans-90.7121.2173.7-76.5166.2000108.9
154V30.9Very low33.8Very low127 Ų127135.2 Ų135.277%0.7780%0.799SS**PPolyproline II helixtrans-92.2125.2177.6-179.60000109.6
155Y30.6Very low34.4Very low217 Ų217133.2 Ų133.285%0.85179%0.788SS**PPolyproline II helixtrans-90.1124174.7-160.9-87.2000109.2
156S31Very low34.1Very low104 Ų104133.9 Ų133.973%0.72779%0.793SS**PPolyproline II helixtrans-93.3130.6-172.8-57.50000112.4
157N30.8Very low34Very low153 Ų153135.8 Ų135.882%0.81880%0.796SS**  trans-132.6142.3161.5-109.9-11.7000109.2
158P49.9Very low34.2Very low125 Ų125138 Ų13881%0.81280%0.803SS**  trans-95.9140-168.435.4-33.9000114
159V31.3Very low35.2Very low146 Ų146138 Ų13889%0.88580%0.8SS**  trans-149.8148155.373.50000111.6
160S29.6Very low35.1Very low114 Ų114141.9 Ų141.980%0.79781%0.813SS**  trans-68.9150.3-169.4-38.90000115.9
161S31.5Very low35.1Very low114 Ų114137.7 Ų137.780%0.79781%0.807SS**  -170.2158.6118.4-156.40000114.3
162L34.5Very low35.5Very low173 Ų173139 Ų13991%0.90681%0.808SS**  trans-64.5161.2-173.4-57.9107.5000116.1
163G33Very low36.3Very low74 Ų74139.3 Ų139.376%0.76381%0.807SS**  trans-163.4-12.5179.400000122.6
164N36.4Very low36.1Very low170 Ų170135.5 Ų135.591%0.90980%0.796SS**  trans66.7164.9178.1-110.211.8000118.8
165P49.8Very low36.5Very low92 Ų92138.1 Ų138.160%0.59780%0.804SS**  trans-124.2-173.5-165.244.8-32.9000116.9
166N32Very low36.7Very low147 Ų147136.2 Ų136.279%0.78680%0.803SS**  trans81.4145.9175.1-51.8-32.9000114.7
167L33.3Very low36.8Very low161 Ų161142.5 Ų142.584%0.84381%0.811SS**  cis-133.1172.921.2-72.3159.8000113.8
168L39.9Very low36.9Very low168 Ų168141.5 Ų141.588%0.8881%0.805SS**  trans-117.3-158.4169.8-63172.4000110.6
169P52.6Low36.1Very low112 Ų112139.9 Ų139.973%0.72780%0.797SS**  -128.7164.4-99.840.3-23000116
170L30.8Very low36.2Very low175 Ų175141.7 Ų141.792%0.91680%0.798SS**  trans-164.5136.2167.1-126.858.2000106.7
171A31Very low36.4Very low81 Ų81141.7 Ų141.767%0.66980%0.799SS**  cis121.7113.51700000110.3
172H39Very low37.3Very low185 Ų185142.7 Ų142.786%0.85680%0.802SS**  trans14150.1146.2-61.4-53.9000121.2
173P48.5Very low37.2Very low113 Ų113138.1 Ų138.173%0.73480%0.797SS**  -158163.954.445.3-24000122.3
174S31.8Very low37.3Very low95 Ų95141 Ų14166%0.66480%0.799SS**  trans37.3132.9141.468.90000124.5
175L38.6Very low37Very low182 Ų182139.7 Ų139.795%0.95380%0.798SS**  -135.5153.9119.7-84.4-177.4000110.1
176Q36.1Very low36.3Very low177 Ų177144 Ų14483%0.82781%0.81SS**  trans-123.6153.5-178.7-73.7-170.1-9.900112.6
177R32Very low36.5Very low235 Ų235147.3 Ų147.389%0.88781%0.811SS**  trans-156.2118.4137.9-171.3164.9-86.3-132.5-1.2112.7
178N33.9Very low36.9Very low132 Ų132145.2 Ų145.271%0.70681%0.807SS**  trans13.9154.7145.2-60.123.6000122.1
179S32.1Very low37Very low92 Ų92141.5 Ų141.564%0.64379%0.793SS**  cis176.6154.8-22.157.40000111.3
180M32.8Very low36.2Very low183 Ų183141.7 Ų141.790%0.90180%0.797SS**  trans80.4152.1158.7-56.2-159.8167.700120.8
181S34.5Very low36.5Very low115 Ų115138.1 Ų138.180%0.80479%0.793SS**  trans-132.7-167175.9-38.20000106.8
182P51.5Low36.6Very low134 Ų134137.3 Ų137.387%0.8779%0.792SS**  cis-134.4-171.69.443.8-25.3000114.8
183G30.5Very low36.5Very low77 Ų77135.9 Ų135.979%0.79479%0.791SS**  trans166.7124.4165.100000115.7
184V35.5Very low36Very low135 Ų135136.4 Ų136.482%0.81879%0.792SS**  trans-101.1138.9179.2173.80000110.9
185T31.6Very low36.1Very low143 Ų143135.9 Ų135.988%0.87780%0.802SS**  trans178.8165.7136.723.40000113.7
186H33.8Very low35.8Very low182 Ų182130.4 Ų130.484%0.84379%0.789SS**  trans-111.8140.5-176-87.7-113.9000113.6
187R36.5Very low35.8Very low216 Ų216129.2 Ų129.282%0.81579%0.788SS**  trans64.3154.3155-124.9-174.4177-162.7-0.1116.6
188P41.6Very low36Very low117 Ų117126.4 Ų126.476%0.7679%0.787SS**  -146.717579.540.9-24.6000115.3
189P42.9Very low36Very low90 Ų90123.7 Ų123.758%0.58479%0.79SS**  trans-114.3122.5155.834.8-22000112
190S34.3Very low36.1Very low117 Ų117122.7 Ų122.782%0.81879%0.794SS**  trans-87.3156.4165.6-61.90000109.9
191A38.4Very low35.9Very low100 Ų100121.2 Ų121.283%0.82679%0.79SS**  cis-161.6166.3-12.900000107
192G32.3Very low35.9Very low63 Ų63123.1 Ų123.165%0.64979%0.79SS**  cis163.9-175.7-3.900000111.2
193N37.4Very low34.9Very low155 Ų155123.4 Ų123.483%0.82979%0.79SS**  trans67.1141.7162.6-73.925.4000119.2
194T37.6Very low35Very low124 Ų124125.8 Ų125.876%0.76179%0.794SS**  cis-160.4139.8-10.470000111.4
195G33.6Very low34.7Very low84 Ų84123.2 Ų123.287%0.86680%0.795SS**  trans73.3143.7151.800000118.3
196G32.8Very low34.7Very low67 Ų67121.8 Ų121.869%0.69180%0.798SS**  cis174.5129.9-10.500000115.3
197L35.4Very low34.6Very low153 Ų153117 Ų11780%0.80180%0.797SS**  trans71.8127.1144.8-54.6176.7000120.6
198M37.4Very low34.4Very low175 Ų175113.2 Ų113.286%0.86280%0.798SS**  trans65.8145.5164.1-32.7-44.9-178.100116.7
199G32.6Very low33.9Very low76 Ų76113.6 Ų113.678%0.78480%0.804SS**  cis152.2146.5-7.900000111.7
200G34.1Very low33.4Very low70 Ų70114.4 Ų114.472%0.72282%0.818SS**  trans95.598.6167.100000117.5
201D29.2Very low33.1Very low152 Ų152112.4 Ų112.481%0.81382%0.816SS**  36.2131.7125.2-62.7-47.2000124
202L35Very low32.8Very low156 Ų156115.9 Ų115.982%0.81782%0.821SS**  trans78.6158.2140.5-69.2168.4000122.4
203T30.8Very low32.7Very low139 Ų139115.9 Ų115.985%0.85382%0.821SS**  trans92.7145.7161.173.60000119.9
204S31.6Very low32.4Very low128 Ų128120.2 Ų120.290%0.89583%0.827SS**  trans-90.1153.3-179-48.50000111.5
205G29.2Very low32.2Very low80 Ų80117.9 Ų117.983%0.82583%0.828SS**  trans-168.2107.8169.200000113.8
206A32.8Very low32.2Very low114 Ų114121 Ų12194%0.94283%0.825SS**  trans-89.6132.3159.800000108.4
207G30.2Very low33.2Very low80 Ų80123.2 Ų123.283%0.82583%0.827SS**  trans-160.5112-176.300000113.2
208T32.5Very low33Very low137 Ų137127 Ų12784%0.8483%0.83SS**  trans-93136.8169.650.90000110.8
209S31.2Very low32.7Very low126 Ų126126.1 Ų126.188%0.88183%0.829SS**  trans174159.1132.442.90000114.1
210A32.3Very low32.8Very low107 Ų107127.9 Ų127.988%0.88483%0.829SS**  trans-71.1165.2-177.100000115.1
211G29.5Very low33.7Very low75 Ų75130.7 Ų130.777%0.77384%0.835SS**  trans174.8102.4166.400000115.3
212N31.9Very low33.9Very low172 Ų172126.8 Ų126.892%0.9283%0.83SS**  trans-63.1165.7168.5-63.4-5.1000111.9
213G29.3Very low33.9Very low63 Ų63126.8 Ų126.865%0.64983%0.83SS**  cis133.7144-200000113.3
214Y31.9Very low33.9Very low247 Ų247127.1 Ų127.197%0.96983%0.826SS**  trans-147.2144.6171.9-75.5-83.6000108.7
215G32.9Very low34Very low75 Ų75127.4 Ų127.477%0.77382%0.822SS**  cis-165.6173.2-5.200000110.9
216N33.8Very low34.1Very low149 Ų149128.7 Ų128.780%0.79782%0.818SS**  trans-132.8156.3180-160.831.3000108.8
217P52.6Low34.9Very low113 Ų113129.5 Ų129.573%0.73481%0.814SS**  -157152.798.438.3-20.1000117.4
218R31.8Very low34.9Very low234 Ų234129.1 Ų129.188%0.88381%0.81SS**  -166.2152.7127.7-114173.2167.6-176-5.9114.4
219N31.8Very low34.9Very low156 Ų156129.6 Ų129.683%0.83481%0.808SS**  trans-58.4151.2-158.5-5915.1000120.2
220S34.4Very low35.4Very low113 Ų113132 Ų13279%0.7981%0.809SS**  trans-71-167.1150.9-17.50000111.8
221P53.5Low35.4Very low129 Ų129133.6 Ų133.684%0.83880%0.804SS**  cis-129.7-170.215.439.9-19.5000113.9
222G31.9Very low35.8Very low69 Ų69139.4 Ų139.471%0.71181%0.807SS**  cis160.4-179.3-12.600000114.1
223L35.7Very low35.7Very low156 Ų156137.4 Ų137.482%0.81780%0.797SS**  trans72.9113.6154.3-54.1178.4000123.8
224L32Very low36Very low146 Ų146140.5 Ų140.576%0.76480%0.797SS**  69.8125.7123-59.7177.2000125
225V32.3Very low36.1Very low134 Ų134137 Ų13781%0.81279%0.789SS**  82.1137.4129.71690000121.7
226S32.8Very low36Very low107 Ų107137.4 Ų137.475%0.74879%0.786SS**  trans-82.8-173.2175.6-36.50000112.4
227P49.3Very low36Very low132 Ų132140.4 Ų140.486%0.85779%0.792SS**  cis-134.3-163.40.443.5-24.9000113.6
228G28.8Very low35.4Very low72 Ų72140.1 Ų140.174%0.74279%0.792SS**  trans140.189.2153.900000118.5
229N32.8Very low36.2Very low147 Ų147134.4 Ų134.479%0.78679%0.785SS**  trans-38.6131.6162.7173.828.9000116.3
230L41.5Very low37.5Very low175 Ų175131.8 Ų131.892%0.91678%0.777SS**  trans-138.5152.5155.6-84-178.6000111.4
231N32.8Very low38.1Very low142 Ų142132.5 Ų132.576%0.75978%0.779SS**  trans-144.1156.3-166.1-171.4-0.4000110.7
232K37.6Very low37.1Very low197 Ų197135.4 Ų135.486%0.85778%0.784SS**  trans126.5148179.2-77.1157.3-173.4176.40111.1
233N30Very low37.7Very low130 Ų130139.3 Ų139.370%0.69579%0.788SS**  cis-172158.5-24.4-166.912.4000108.1
234I36.7Very low37.6Very low128 Ų128140 Ų14066%0.65679%0.792SS**  trans66.7136.1162-75.5161.2000115.3
235Q32.2Very low37.8Very low172 Ų172135.8 Ų135.880%0.80478%0.784SS**  cis-157.7179.70.1-125.3176.53500111.9
236A31.7Very low38.1Very low85 Ų85137.5 Ų137.570%0.70279%0.785SS**  trans86.199.1155.200000121.2
237K33.4Very low38.3Very low212 Ų212138.5 Ų138.592%0.92278%0.782SS**  trans59.897.8135.2-61.1-177.9179-179.80119.8
238S39.9Very low37.8Very low106 Ų106138.6 Ų138.674%0.74178%0.775SS**  trans-105.3151.8148.3137.90000110.2
239P48.2Very low38.1Very low114 Ų114146.9 Ų146.974%0.7478%0.784SS**PPolyproline II helixtrans-92.8150143.733.9-28.2000110.7
240P59.4Low38.6Very low102 Ų102148.5 Ų148.566%0.66278%0.784SS**PPolyproline II helixtrans-90.7169.6-174.436.8-37.3000113.6
241P47.5Very low38.9Very low127 Ų127146.4 Ų146.483%0.82578%0.781SS**PPolyproline II helixtrans-65.2135.7162.529.4-34.8000110.6
242M33.6Very low39Very low191 Ų191143.9 Ų143.994%0.94177%0.768SS**PPolyproline II helixtrans-85.6119.3173.5-72.1-163.3-65.100111.4
243N43.4Very low39Very low151 Ų151142.8 Ų142.881%0.80777%0.77SS**  trans-124.5115.3155179.2-9.7000107.5
244L34.1Very low39.8Very low169 Ų169146.3 Ų146.389%0.88577%0.774SS**  trans-152133.6159.7-152.474000109
245G35.8Very low39.9Very low59 Ų59147.2 Ų147.261%0.60879%0.785SS**  trans-95.2-171.2171.700000112.9
246M39.7Very low40Very low170 Ų170145.7 Ų145.784%0.83778%0.782SS**  trans88.9142.4168-143.670.175.600117.8
247N35.8Very low40.4Very low127 Ų127148.3 Ų148.368%0.67978%0.782SS**  trans86.194.6162.6-61.3-56.8000120.6
248N39.7Very low40.9Very low134 Ų134143.9 Ų143.972%0.71778%0.776SS**  54.6100117.6-66-51000119.6
249R34.8Very low41.8Very low246 Ų246145 Ų14593%0.92878%0.78SS**  -178.3136.1102.2-91.9151.4-168.6-162.22.9112.1
250K43.9Very low41.1Very low182 Ų182143 Ų14379%0.79178%0.78SS**  trans-87.8165.4154.8-66.5-171.7175.2-173.80108.6
251P46.2Very low40Very low131 Ų131143.1 Ų143.185%0.85178%0.783SS**  -126.8146.78817.9-0.2000113.9
252D35.1Very low39.6Very low89 Ų89145.8 Ų145.848%0.47678%0.782SS.*  trans-95.5136167.8176.930.4000107.6R254D252-R254 PolarHBondContact O-N 3.27Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.68Å; D252-R254 PolarHBondContact OD2-NE 3.27Å; D252-R254 IonicContact OD2-NH2 2.68Å; D252-R254 PolarHBondContact OD2-NH2 3.44Å
253L38.9Very low39.5Very low173 Ų173143.4 Ų143.491%0.90677%0.773SS**  trans-74.8111.1-176.9-115.181000110.1
254R45.2Very low39.1Very low204 Ų204142.5 Ų142.577%0.7777%0.773SS**  trans-134.4142171.2-61.4-170.8-171.4-147-4.5111.1D252D252-R254 PolarHBondContact O-N 3.27Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.68Å; D252-R254 PolarHBondContact OD2-NE 3.27Å; D252-R254 IonicContact OD2-NH2 2.68Å; D252-R254 PolarHBondContact OD2-NH2 3.44Å
255V40.5Very low38.9Very low147 Ų147142.8 Ų142.889%0.89177%0.772SS**  trans-73.6138.6-173.9-178.20000110.9
256L32.4Very low39.9Very low140 Ų140144.9 Ų144.973%0.73378%0.775SS**  trans-75.8130.3172.7-10273.3000110.2
257I40.8Very low39.5Very low140 Ų140141.8 Ų141.872%0.71877%0.77SS**  70.9136.682.3-73.6-177.7000112.1
258P43.6Very low39.3Very low120 Ų120141.4 Ų141.478%0.77977%0.772SS**  cis-133.4175.532.626.4-2.2000118.9
259P58.4Low38.9Very low128 Ų128142.5 Ų142.583%0.83178%0.778SS**  trans-124.5174.3-178.343.5-31.3000116.5
260G34Very low38.9Very low72 Ų72139 Ų13974%0.74277%0.772SS**  trans169.8151159.700000113.6
261S36.7Very low38.5Very low105 Ų105140.5 Ų140.573%0.73477%0.773SS**  cis-166.5144-1163.70000113.9
262K39.5Very low38.1Very low183 Ų183140 Ų14080%0.79676%0.762SS**  trans68.6127.4150.4-67.3173.3-178.6177.90123
263N31.7Very low38Very low141 Ų141142.1 Ų142.175%0.75477%0.773SS**  trans70.3148.6139.5-62.422.1000119.2
264T34.5Very low37.8Very low133 Ų133140 Ų14082%0.81676%0.763SS**  cis-153.8170.1-4.21.60000112.3
265M29.9Very low37.6Very low174 Ų174134 Ų13486%0.85775%0.752SS**  trans-74-178.2178.9-69.1-91.1-76.600114.1
266P55.7Low37.4Very low103 Ų103135.4 Ų135.467%0.66975%0.749SS**  cis-140.7-165.26.641.6-20.8000117.2
267S31.2Very low37.6Very low106 Ų106134 Ų13474%0.74175%0.751SS**  trans83.1148.2151.5-77.50000121.3
268V33.1Very low37.2Very low118 Ų118132.4 Ų132.472%0.71576%0.759SS**  cis-166.2165.4-26.9102.70000111.7
269N30.3Very low37Very low158 Ų158135.4 Ų135.485%0.84576%0.762SS**  trans78.4152.3163.4-85.3-13.7000122.5
270Q35.9Very low35.8Very low172 Ų172134.6 Ų134.680%0.80476%0.76SS**  trans-110.4152.6179.2-52.7166.6-4.300110.4
271R34.3Very low35.7Very low213 Ų213139.3 Ų139.380%0.80477%0.767SS**  167.9137.1112.1-96.6-171.2156.6-148.3-4.3114.9
272I37.8Very low35.7Very low122 Ų122139 Ų13963%0.62677%0.771SS**  trans62.498.8138.5-58.4175.5000118.9
273N34.2Very low35.4Very low132 Ų132136.6 Ų136.671%0.70677%0.772SS**  44.6120.6116.9-167.864.2000120.9
274N34.8Very low36.2Very low128 Ų128135.4 Ų135.468%0.68477%0.772SS**  -175.5153.193.6-142.815000115.2
275S39.4Very low36.2Very low79 Ų79135.7 Ų135.755%0.55277%0.773SS**  trans42.8116.2147-650000125.9
276Q37.3Very low36.5Very low176 Ų176133.5 Ų133.582%0.82277%0.769SS**  83.1141.9121-66.4-1729.200124.6
277S35.4Very low35.4Very low112 Ų112134 Ų13478%0.78378%0.775SS**  trans53102.5153.258.40000120
278A33.5Very low35.9Very low105 Ų105135.4 Ų135.487%0.86878%0.779SS**  trans-88.8140.5159.300000111.4
279Q40.1Very low36.1Very low184 Ų184134.5 Ų134.586%0.8678%0.783SS**  trans-116.4133.7160.5-71.6-174.6-8.600109.2
280S31.4Very low36.4Very low111 Ų111133.4 Ų133.478%0.77678%0.783SS**  trans-164.2112.4157.4-77.30000106.6
281L32.2Very low37.3Very low170 Ų170130.3 Ų130.389%0.8978%0.778SS**  65.497.372.8-66.6171.6000112
282A37.4Very low37.2Very low99 Ų99127 Ų12782%0.81878%0.782SS**  trans-140.8104172.500000110.1
283T33.6Very low37.3Very low133 Ų133128.9 Ų128.982%0.81679%0.792SS**  trans-165.8161.617339.10000108.8
284P48.8Very low38Very low116 Ų116128.6 Ų128.675%0.75380%0.797SS**  cis-124.5170.2-14.230.2-11.3000113.4
285V34.8Very low37.8Very low139 Ų139125.6 Ų125.684%0.84280%0.797SS**  trans-84.3142.7161.1173.10000109.1
286V34.8Very low37.7Very low127 Ų127131.9 Ų131.977%0.7782%0.817SS**  trans-85.8130.2176.7178.20000110.6
287S33Very low37.4Very low114 Ų114127.1 Ų127.180%0.79782%0.816SS**  trans-131.5144.2164.7-75.40000109.5
288V42.3Very low37.5Very low136 Ų136131 Ų13182%0.82482%0.824SS**  trans-101.2126.3-167-169.70000111.1
289A36.2Very low37.5Very low98 Ų98129.2 Ų129.281%0.8182%0.816SS**  trans-149.2130.5166.900000110.3
290T36.5Very low37Very low135 Ų135123.6 Ų123.683%0.82881%0.807SS**  trans-105.3136.5179.4-50.50000109.4
291P54.9Low37.3Very low108 Ų108129.3 Ų129.370%0.70181%0.813SS**  trans-101159.7-167.238-36.3000114.7
292T32.3Very low38.2Very low144 Ų144126.3 Ų126.388%0.88380%0.804SS**  trans-164.9153131.718.20000113.9
293L39.5Very low38Very low160 Ų160126.9 Ų126.984%0.83880%0.802SS**  trans-85.6-174.7167.3-93.566.6000110.5
294P49.3Very low38Very low126 Ų126125.7 Ų125.782%0.81881%0.806SS**  cis-121.6-171.6-716.310.2000111.9
295G31.7Very low37.5Very low66 Ų66127.7 Ų127.768%0.6881%0.809SS**  cis153175.8-4.400000112
296Q37Very low37.4Very low210 Ų210126.7 Ų126.798%0.98181%0.807SS**  trans64.1125.2-175.1-61.1-163-2.700117.2
297G31.1Very low37.3Very low77 Ų77127 Ų12779%0.79481%0.81SS**  trans-147.9133.3165.700000109.9
298M37.8Very low37.3Very low192 Ų192126.9 Ų126.995%0.94681%0.805SS**  trans-154.6127.5173-140.3-57.7109.900109.7
299G32.3Very low37.1Very low68 Ų68131.4 Ų131.470%0.70181%0.808SS**  trans109.6131.3168.500000116.2
300G29.4Very low37.1Very low66 Ų66129.9 Ų129.968%0.6880%0.802SS**  123.730124.600000122.7
301Y38.5Very low37Very low231 Ų231129 Ų12991%0.90680%0.797SS**  trans58.3-165.7152.6-66.4-75.4000116.1
302P51.1Low36Very low107 Ų107130 Ų13070%0.69579%0.792SS**  -136.5176.6-106.738.9-17.1000115.7
303S33.8Very low36.2Very low112 Ų112132.6 Ų132.678%0.78379%0.787SS**  160.7127.4120.6-72.70000113.1
304A33.9Very low36Very low107 Ų107130.5 Ų130.588%0.88479%0.786SS**  trans-137.9128.9148.400000106.8
305I37.7Very low35.4Very low159 Ų159132.5 Ų132.582%0.81579%0.789SS**  trans-94.2134.3-168.644.9171.5000112.5
306S31.9Very low35.7Very low117 Ų117135.1 Ų135.182%0.81880%0.797SS**  trans-161.7100.1166.4-790000110.8
307T33Very low35.6Very low135 Ų135130.6 Ų130.683%0.82879%0.788SS**  trans-80.6116.4174.1-50.80000108
308T34.2Very low36Very low111 Ų111131.4 Ų131.468%0.68179%0.787SS**  75.1103.160.6-51.20000114.8
309Y37.7Very low35.7Very low231 Ų231130 Ų13091%0.90678%0.783SS**  trans-173.7131.1133-96.2-74.2000104
310G35.2Very low35.9Very low65 Ų65134.2 Ų134.267%0.6779%0.789SS**  cis123.2138.919.400000107.5
311T34.6Very low36Very low118 Ų118136.6 Ų136.672%0.72480%0.795SS**  cis-152.1-167.5-0.957.10000106
312E34Very low35.9Very low129 Ų129131 Ų13160%0.60379%0.79SS**  cis-168157.3-9.642.9-157.66200105.4
313Y35.9Very low35Very low198 Ų198133.8 Ų133.878%0.77680%0.798SS**  cis-138.4-179.34.7-70.3-88.8000110
314S36.1Very low35.1Very low116 Ų116134.1 Ų134.181%0.81180%0.801SS**  trans-139.4138.9168.2-66.10000113.1
315L36.4Very low35Very low168 Ų168132 Ų13288%0.8879%0.789SS**  trans-141.6121.1155.6-68.7177000106.4
316S37.2Very low34.6Very low121 Ų121134.6 Ų134.685%0.84680%0.795SS**  78.9133.457.7-163.30000112.6
317S36Very low34.6Very low115 Ų115136 Ų13680%0.80479%0.793SS**  trans-137.6119.6-155.557.80000114.1
318A39.5Very low34.5Very low93 Ų93135.7 Ų135.777%0.76979%0.791SS**  trans-165.5121.8152.800000109.6
319D31.3Very low34.4Very low162 Ų162134.8 Ų134.887%0.86680%0.795SS**  -173.3170.4113.6-103.6-29.1000111.3
320L36.5Very low34Very low157 Ų157129.2 Ų129.282%0.82279%0.79SS**  trans-116159.9-156.5-69.5166000115.1
321S32.2Very low34Very low116 Ų116130.9 Ų130.981%0.81180%0.797SS**  trans70.788.7149.5-61.10000120.1
322S35.1Very low33.8Very low115 Ų115134.1 Ų134.180%0.80481%0.809SS**  trans-147.797.9142.968.60000113.9
323L33.5Very low33.7Very low164 Ų164136.4 Ų136.486%0.85982%0.82SS**  trans46.6124.6145.7-67.5164.1000121.9
324S35.3Very low33.4Very low120 Ų120134.2 Ų134.284%0.83982%0.82SS**  trans60.613014063.70000121.9
325G30.9Very low33.1Very low62 Ų62132.3 Ų132.364%0.63982%0.819SS**  131.575.3122.200000120.1
326F30.7Very low32.8Very low214 Ų214130 Ų13094%0.93982%0.817SS**  trans69.3166.7151.4-66.9-79.8000120
327N32Very low32.6Very low147 Ų147131 Ų13179%0.78682%0.818SS**  trans-127.9148.2-164-96.6-78.7000112.1
328T30.8Very low32.5Very low128 Ų128132.3 Ų132.379%0.78582%0.821SS**  trans45.4126.5145.961.90000121.2
329A30.5Very low32.2Very low91 Ų91131.5 Ų131.575%0.75282%0.822SS**  -171.2162.5117.500000112.6
330S30.7Very low32.2Very low114 Ų114135.8 Ų135.880%0.79783%0.826SS**  trans68.1107.9163-55.30000117.1
331A34.4Very low32Very low100 Ų100135.8 Ų135.883%0.82682%0.822SS**  8111260.100000113.6
332L30.6Very low32.2Very low186 Ų186137.3 Ų137.397%0.97482%0.816SS**  trans-86.5129.9174.2-64.7170.8000110
333H31.1Very low32.1Very low178 Ų178139.1 Ų139.182%0.82481%0.812SS**  trans-118.3151165.1-175.1-87.3000111
334L31.6Very low31.9Very low151 Ų151138.3 Ų138.379%0.79180%0.804SS**  trans-46.6136.4177.9-14168000113.1
335G28.7Very low31.7Very low77 Ų77138.9 Ų138.979%0.79480%0.796SS**  trans-82166.7-178.400000114.6
336S29.8Very low31.8Very low119 Ų119143.2 Ų143.283%0.83280%0.8SS**  trans-132152.6166.5-171.10000109.1
337V33.4Very low31.8Very low141 Ų141139.5 Ų139.586%0.85579%0.79SS**  trans-82.9135.6-171.4-74.30000112.8
338T34.8Very low31.9Very low144 Ų144140.9 Ų140.988%0.88379%0.793SS**  trans-97.2142.216943.30000110.9
339G32.4Very low32.7Very low76 Ų76139.8 Ų139.878%0.78479%0.789SS**  trans-98178.3-175.300000114.8
340W31Very low33.9Very low252 Ų252140.7 Ų140.796%0.95579%0.787SS**  trans-92.5120179.1-82.670.4000113.2
341Q33.1Very low34.1Very low157 Ų157140.9 Ų140.973%0.73479%0.788SS**  6.3137.7129.1-145.2161.5-10.800117.3
342Q36Very low34.1Very low147 Ų147140.4 Ų140.469%0.68778%0.784SS**  cis-175.9-178.1-1.3-178.6178.1-8.100111
343Q32.6Very low34.4Very low153 Ų153139.2 Ų139.272%0.71578%0.778SS**  trans83.9142.8162.6-62.3-174.3-15.400117.1
344H30.6Very low34.6Very low148 Ų148134.6 Ų134.669%0.68577%0.766SS**  cis-144.9128.8-4.9-102-64.2000108.3
345L30.6Very low34.8Very low131 Ų131134.6 Ų134.669%0.68676%0.762SS**  84.1102.993.4-168.677000117.6
346H31.6Very low35.1Very low153 Ų153138.8 Ų138.871%0.70877%0.765SS**  170.3139.9124.7-96.7-69.9000116.7
347N31Very low35.2Very low136 Ų136136.4 Ų136.473%0.72776%0.76SS**  trans47.5109.4152-63.426.8000125.1
348M34.1Very low35.1Very low176 Ų176134.8 Ų134.887%0.86776%0.761SS**  29.1157.5114-68.2-69.5-165.600122.3
349P47.8Very low34.8Very low106 Ų106134.2 Ų134.269%0.68876%0.761SS**  cis-139.4-152.1-25.636-12.3000112.5
350P56.6Low34.9Very low110 Ų110137.1 Ų137.171%0.71476%0.764SS**  -126-164.9-70.439.6-22.4000114.2
351S34.5Very low34.8Very low117 Ų117130.9 Ų130.982%0.81876%0.759SS**  trans91.6134170-39.90000114.8
352A35.1Very low34.8Very low91 Ų91129.2 Ų129.275%0.75276%0.759SS**  cis-166177-6.800000108.5
353L35.2Very low34.7Very low161 Ų161130.2 Ų130.284%0.84376%0.764SS**  cis-154.6177.61.3-15571.2000110.2
354S36.3Very low34.7Very low80 Ų80128.8 Ų128.856%0.55976%0.76SS**  trans-24.3165152.5-67.40000120.8
355Q35.3Very low34.8Very low152 Ų152126.5 Ų126.571%0.7176%0.761SS**  cis-172.6156.4-10.2-108.6165.4-66.500110.3
356L35.8Very low34.8Very low164 Ų164129.6 Ų129.686%0.85977%0.772SS**  trans59.4161.5148.4-64.5165.5000118.1
357G30.9Very low34.8Very low70 Ų70127.3 Ų127.372%0.72277%0.773SS**  cis-171.3158.4-6.100000109.9
358A31.8Very low35Very low106 Ų106126.6 Ų126.688%0.87678%0.778SS**  trans-100.4146.8-174.300000113.1
359C29.6Very low34.9Very low132 Ų132125.4 Ų125.489%0.89278%0.776SS**  trans-153.6146.9148.758.80000111.5
360T32.7Very low34.1Very low138 Ų138127.3 Ų127.385%0.84778%0.779SS**  trans-115.8146178.950.70000109.9
361S29.7Very low32.9Very low120 Ų120127.8 Ų127.884%0.83979%0.785SS**  trans-163167140.8-1510000113.5
362T32.5Very low33.1Very low122 Ų122129.7 Ų129.775%0.74879%0.785SS**  trans-108158.7-177.154.10000111.9
363H34.4Very low33.2Very low169 Ų169131.2 Ų131.278%0.78279%0.788SS**  -160.8169.2129-159.3-106000112.6
364L32.8Very low33.2Very low123 Ų123127.9 Ų127.964%0.64478%0.778SS**  trans-92.2154.1-174.4-73.663.2000113.9
365S31.7Very low33.1Very low99 Ų99130 Ų13069%0.69279%0.788SS**  trans40.6130140.469.60000121.5
366Q32Very low33.2Very low197 Ų197131.9 Ų131.992%0.92180%0.796SS**  -167171107.6-106.1175.437.400112.3
367S32Very low33.1Very low104 Ų104129.4 Ų129.473%0.72779%0.793SS**  trans-113129-172.853.70000112.8
368S34.6Very low33.6Very low121 Ų121134 Ų13485%0.84680%0.8SS**  trans-179.7130.6132.8-83.30000114.6
369N31Very low34.1Very low151 Ų151136.3 Ų136.381%0.80780%0.798SS**  trans-9.1148.3161.1-87.2-63.4000123.8
370L32.2Very low34.6Very low147 Ų147137.1 Ų137.177%0.7779%0.792SS**  trans78.494.5145.6-69.2165.3000120.9
371S31.2Very low34.8Very low120 Ų120140 Ų14084%0.83979%0.792SS**  trans-155.4141.5131-19.70000110.1
372L37.9Very low35.6Very low156 Ų156139.4 Ų139.482%0.81779%0.788SS**  trans-96.4142.5167.2-8276.2000109.1
373P36.8Very low36.4Very low123 Ų123142.2 Ų142.280%0.79979%0.793SS**  -126.4135.395.411.38.8000111.3
374S35.1Very low37Very low92 Ų92139.7 Ų139.764%0.64379%0.792SS**  77.8122.975.4-160.80000114
375T35.8Very low37.5Very low124 Ų124140.7 Ų140.776%0.76180%0.802SS**  trans58.4108.8176.363.70000118
376Q36.2Very low38.2Very low191 Ų191141 Ų14189%0.89381%0.805SS**  -168.1165.197.7-98-179.932.200112.2
377S34.8Very low39.3Very low113 Ų113137.1 Ų137.179%0.7980%0.796SS**  trans-76138.5-167.750.90000114.8
378L40Very low39.7Very low167 Ų167137.9 Ų137.987%0.87480%0.799SS**  trans-108.1134.4158.4-74.6174.4000110.5
379N42.3Very low40.2Very low153 Ų153144 Ų14482%0.81880%0.803SS**  trans-92.7103.4-178.1-179.1-2.2000110.2
380I40.7Very low40.5Very low149 Ų149144.4 Ų144.476%0.76481%0.805SS**  trans-102.7110.7172.8-59.7179000108.6S382I380-S382 PolarHBondContact O-N 2.82Å; I380-S382 VanDerWaalsContact O-N 3.16Å
381K36.4Very low40.7Very low199 Ų199149.3 Ų149.387%0.86581%0.814SS**  trans-79.193.1180-175.5178.3179.1-179.50110.4
382S47.7Very low40.8Very low107 Ų107149.6 Ų149.675%0.74881%0.811SS**PPolyproline II helixtrans-77.8151.4174.348.60000112.9I380I380-S382 PolarHBondContact O-N 2.82Å; I380-S382 VanDerWaalsContact O-N 3.16Å
383E48.6Very low40.5Very low182 Ų182148.4 Ų148.485%0.8581%0.81SS**PPolyproline II helixtrans-87.5141.6179.5-168.2173.3-175.900110.9
384P46.8Very low40.6Very low116 Ų116148.5 Ų148.575%0.75381%0.809SS**PPolyproline II helixtrans-79.1131.8-174.630.1-34.6000113.5
385V44.3Very low40.9Very low143 Ų143150.1 Ų150.187%0.86782%0.817SS**PPolyproline II helixtrans-62.8137.4170.6164.90000111.2
386S46.1Very low40.6Very low107 Ų107149.6 Ų149.675%0.74882%0.818SS**PPolyproline II helixtrans-82.7141.5175.6-68.70000112.5
387P55.3Low40.4Very low114 Ų114151.9 Ų151.974%0.7482%0.819SS**PPolyproline II helixtrans-79.5155.7177.933.1-35.7000112.7
388P40.3Very low40.2Very low120 Ų120157.2 Ų157.278%0.77982%0.823SS**PPolyproline II helixtrans-70.5155.7178.530.5-35.9000112.6
389R45.3Very low40.4Very low249 Ų249154.5 Ų154.594%0.9482%0.816SS**  trans-13587.3175.5-105.6-170.7172-175.5-0.9112.2
390D37.4Very low39.9Very low160 Ų160155.6 Ų155.686%0.85682%0.816SS**  trans-75.5125.4153.4-72.1-64.7000109.6
391R35.4Very low39.5Very low250 Ų250156.7 Ų156.794%0.94382%0.817SS**  trans-163.3122.6145.8-122.3179.3-175.6-154.6-1.2114.4
392T34.4Very low39.4Very low127 Ų127153 Ų15378%0.77981%0.812SS**  trans-77.6169.6167.3-26.60000111.6
393T31.2Very low38.4Very low130 Ų130158.4 Ų158.480%0.79882%0.816SS**  trans90.3121.2154-50.20000117.7
394T39.2Very low37.7Very low126 Ų126157 Ų15777%0.77381%0.809SS**  trans-80.6169.5171.646.20000111.9
395P40.5Very low36.9Very low126 Ų126159.2 Ų159.282%0.81881%0.809SS**  -148.2149.2106.936.8-22.1000115.3
396S29.8Very low36.4Very low113 Ų113157.2 Ų157.279%0.7981%0.807SS**  trans-157.1105.8152.4-162.90000113.8
397R31Very low35.7Very low239 Ų239155.9 Ų155.990%0.90281%0.811SS**  trans27.9115.3142.6-151.4178.4-149.2-179.16.4120.9
398Y32.1Very low34.8Very low225 Ų225162.8 Ų162.888%0.88282%0.822SS**  trans-101.5164.6150.3-79.3-85.3000111.3
399P43.5Very low34.4Very low110 Ų110162.2 Ų162.271%0.71482%0.821SS**  trans-123136.2154.135.8-23.6000113.4
400Q31.2Very low35Very low176 Ų176156 Ų15682%0.82281%0.813SS**  trans60.6139.1169-58.4179.8-3800116
401H32.8Very low34.8Very low172 Ų172154.7 Ų154.780%0.79681%0.811SS**  cis-137.7-163.937.8-114.9-90.9000113.7
402T33.4Very low34.7Very low122 Ų122149.6 Ų149.675%0.74880%0.802SS**  trans-114.3161.8-162.945.50000115.9
403R28.2Very low34.7Very low219 Ų219149.6 Ų149.683%0.82681%0.807SS**  trans83.9115.4160.1-71.2-160.2143.7-178.7-4.4121.3
404H33.1Very low34.8Very low152 Ų152151.3 Ų151.370%0.70481%0.81SS**  73.9137.3128-83.7-92.3000124.3
405E29.3Very low34.5Very low164 Ų164150.3 Ų150.377%0.76681%0.809SS**  trans78.6122.8142.8-70.2-74.489.300121.9
406A34.2Very low34.2Very low100 Ų100149.6 Ų149.683%0.82681%0.807SS**  trans56.4138.2140.500000122.2
407G31.9Very low34.1Very low80 Ų80150.1 Ų150.183%0.82581%0.809SS**  trans150.2124.8166.600000112.6
408R35.8Very low34.1Very low258 Ų258144.2 Ų144.297%0.97481%0.805SS**  trans-112.8155.5171.9-70.2-175.4177.4-138.11.6110.3
409S32.3Very low34.1Very low109 Ų109139.3 Ų139.376%0.76280%0.803SS**  trans-82.4-173.5172.359.40000111.7
410P57.4Low33.7Very low118 Ų118139.1 Ų139.177%0.76680%0.804SS**  cis-126.5-174.3-2928.1-7.7000111.7
411V33.2Very low33.9Very low133 Ų133141.1 Ų141.181%0.80681%0.806SS**  trans177.9162.9131.765.60000111.3
412D34Very low34.1Very low143 Ų143138.2 Ų138.277%0.76580%0.796SS**  trans-68.8167-175.4-50.1-98.5000116.4
413S34Very low34Very low127 Ų127136 Ų13689%0.88880%0.798SS**  trans-157.9150.4153.5-80.50000111.8
414L34Very low34.4Very low165 Ų165130.7 Ų130.786%0.86479%0.794SS**  trans-108145.7-174.8-68.2166.6000112.5
415S33.4Very low34.5Very low105 Ų105130.4 Ų130.473%0.73480%0.798SS**  trans26142.9145.4-48.80000123.4
416S32.5Very low34.9Very low112 Ų112134 Ų13478%0.78380%0.804SS**  trans104.3162.9142.2-560000119.7
417C28.6Very low35Very low124 Ų124138 Ų13884%0.83881%0.806SS**  trans71.5108.2-178-57.40000114.4
418S31.1Very low35.2Very low115 Ų115140.7 Ų140.780%0.80480%0.801SS**  cis79.3122.741.6-161.70000114.4
419S33Very low35.2Very low121 Ų121137.7 Ų137.785%0.84680%0.798SS**  trans-149.4126.9169.955.80000110
420S34.9Very low35.2Very low106 Ų106141.3 Ų141.374%0.74180%0.795SS**  trans-156.9108.1-171.2560000112.2
421Y35Very low34Very low218 Ų218143.9 Ų143.986%0.85580%0.803SS**  trans-172.2147.3170.5-152.2-105.1000107.7
422D37.4Very low33.9Very low111 Ų111144.2 Ų144.259%0.59480%0.795SS**  cis-164.8171.5-29.3-178.821.1000106.1
423G31.4Very low33.8Very low77 Ų77146.3 Ų146.379%0.79480%0.798SS**  trans174.946.9178.900000114.2
424S36.8Very low33.7Very low106 Ų106148.5 Ų148.574%0.74179%0.794SS**  trans-79.7129.5174-179.40000111.5
425D34.8Very low33.7Very low147 Ų147145.9 Ų145.979%0.78679%0.789SS**  trans-141.4123.6166.5-154-19.8000110.4
426R37.3Very low34.5Very low238 Ų238146.2 Ų146.290%0.89879%0.789SS**  trans-168.6100.4-178-106.7-175.8176.8165.5-0.3108.9
427E36.2Very low34.5Very low185 Ų185149 Ų14986%0.86479%0.793SS**  trans-78158.2176.6-69.2-162.6110.700113.8
428D35.5Very low34.6Very low136 Ų136146.1 Ų146.173%0.72778%0.784SS**  trans-66.1161.3-178.7-85.5-62.7000114.8
429H36.9Very low34.8Very low195 Ų195148.6 Ų148.690%0.90379%0.788SS**  trans-126.7100.2147.3-90.941.7000109.2
430R32.5Very low34.7Very low186 Ų186149.2 Ų149.270%0.70279%0.787SS**  trans-77.9140.3171.6-75.2-172.7175-146.24.7111.5E432R430-E432 IonicContact NH1-OE1 3.29Å; R430-E432 IonicContact NH1-OE2 2.6Å; R430-E432 PolarHBondContact NH1-OE2 2.69Å
431N31.3Very low34.6Very low172 Ų172154 Ų15492%0.9279%0.789SS**  trans-142.1133.6147.9-105.8-37.3000107.5
432E31.2Very low34.9Very low139 Ų139149.1 Ų149.165%0.6578%0.783SS**  trans-140.5114.7-158.1-178.4167.6-159.700110R430R430-E432 IonicContact NH1-OE1 3.29Å; R430-E432 IonicContact NH1-OE2 2.6Å; R430-E432 PolarHBondContact NH1-OE2 2.69Å
433F31.3Very low34.5Very low188 Ų188147.4 Ų147.483%0.82578%0.78SS**  trans-154133.6173-101.6-69.4000113.2
434H32.3Very low35.7Very low172 Ų172148.6 Ų148.680%0.79677%0.774SS**  trans62.5113.6165.9-65.9-66.2000120.8
435S34.8Very low35.5Very low111 Ų111150.2 Ų150.278%0.77677%0.774SS**  trans-74.4171.1159.4-36.10000112
436P49.3Very low35.4Very low111 Ų111150.9 Ų150.972%0.72177%0.772SS**  -154.9161.39240.1-21.8000119
437I33.8Very low35.2Very low171 Ų171148.6 Ų148.688%0.87776%0.764SS**  trans76.1136.1146.3-72.9161.5000121.5
438G30Very low34.9Very low63 Ų63147 Ų14765%0.64976%0.757SS**  trans120.3100.2167.400000113.7
439L34.8Very low34.6Very low168 Ų168145.7 Ų145.788%0.8876%0.758SS**  51.512070.6-67.1167000112.6
440T31.7Very low35.4Very low134 Ų134142 Ų14282%0.82275%0.751SS**  cis-149.2173.920.853.50000115.3
441R31.8Very low35.4Very low207 Ų207138.5 Ų138.578%0.78176%0.755SS**  trans-111-178.1161.7-122.5-166.2138.5-178.3-6.9108.6S443R441-S443 PolarHBondContact NH2-OG 3.16Å; R441-S443 VanDerWaalsContact NH2-OG 3.13Å
442P42.2Very low35.5Very low114 Ų114136.8 Ų136.874%0.7475%0.75SS**  cis-112.7175.91.714.512.6000113.3
443S29Very low35.7Very low75 Ų75139.9 Ų139.952%0.52476%0.762SS.*  cis73.615242.8-133.80000114.4R441R441-S443 PolarHBondContact NH2-OG 3.16Å; R441-S443 VanDerWaalsContact NH2-OG 3.13Å
444P55.3Low35.8Very low102 Ų102141.7 Ų141.766%0.66276%0.763SS**  cis-116-170.6-18.119.28.4000110.5
445D32.9Very low35.7Very low141 Ų141139.9 Ų139.975%0.75476%0.757SS**  168.8175.763.4-104.7-46.2000105.6
446E33.3Very low35.7Very low160 Ų160145.2 Ų145.275%0.74876%0.76SS**  cis-151.8-171.811.3-138.9-174.614900112.6
447R33.1Very low35.3Very low190 Ų190147.8 Ų147.872%0.71777%0.767SS**  trans-59174.2178.4-65.1157.7170.6-89.20.9116
448E30.5Very low35.5Very low153 Ų153144.7 Ų144.772%0.71576%0.76SS**  cis-157.9179.3-5-126.9161119.900111.1
449S27.8Very low35.8Very low107 Ų107151.1 Ų151.175%0.74877%0.773SS**  trans-117.6-159.4169.4-39.70000109.7
450P54.4Low35.7Very low118 Ų118146.8 Ų146.877%0.76677%0.769SS**  cis-130.4166.7-40.736.4-21.1000114
451S31.9Very low35.9Very low113 Ų113152.4 Ų152.479%0.7978%0.776SS**  trans-178.1141.9146.645.90000109.6
452V33.4Very low36.2Very low135 Ų135146.5 Ų146.582%0.81877%0.771SS**  cis81.983.632.2-172.10000115
453K36.8Very low36.5Very low204 Ų204151.5 Ų151.589%0.88780%0.8SS**  trans-168.4112.5131.6-114.8170.3-177.81710118.1
454R32.7Very low36.9Very low227 Ų227155.3 Ų155.386%0.85781%0.813SS**  trans-9.9117.5143.4178.9-176.5-65167.6-0.8119.8
455M30.8Very low35.9Very low133 Ų133158.1 Ų158.166%0.65582%0.821SS**  60.1123.2127.1-167.2-163.188.400122.6
456R34Very low36Very low224 Ų224159.1 Ų159.185%0.84583%0.825SS**  -162.1173127.4-119.6178.9179.881.1-0.3114.8
457L40.3Very low36.2Very low165 Ų165159 Ų15986%0.86483%0.83SS**  trans-112.3146.2-173.4-66.9135.5000112.1
458S39.2Very low36.4Very low105 Ų105157.1 Ų157.173%0.73484%0.837SS**  trans-170.6119.8153.150.70000106.5
459E35.8Very low36.8Very low198 Ų198157.3 Ų157.393%0.92585%0.845SS**  55.9129.683.2-68.1-165.9127.100114.2
460G33.5Very low37.4Very low78 Ų78160.9 Ų160.980%0.80485%0.852SS**  trans150.189.7173.900000115
461W36.3Very low36.1Very low252 Ų252164.2 Ų164.296%0.95586%0.858SS**  trans-57.1147.2178.2-82.442.4000116.9
462A38.1Very low36.5Very low83 Ų83168.5 Ų168.569%0.68686%0.864SS**  trans39.5126.3133.900000122.4
463T47.2Very low36.8Very low218 Ų218171.5 Ų171.5100%1.33787%0.868SS**  -136.60109.447.20000109.4

Retrieved 463 of 463 residues in 46.5 ms (Link to these results)