A0A096MJ23_RAT Loading...

Myocyte enhancer factor 2C

AlphaFold DB (A0A096MKI4), UniProt , Accession A0A096MJ23, Species RAT (Rattus norvegicus, Rat), Gene Mef2c, Length 433 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
1M67.8Low92.4Very high221 Ų221148.9 Ų148.9100%1.08971%0.714SS**  01330179.4151.655.500109.2
2G87.6Confident92.9Very high68 Ų68149.3 Ų149.370%0.70172%0.718SS**  trans-79.6177.9-173.800000115.2
3R91.5Very high93.2Very high259 Ų259143.8 Ų143.898%0.97770%0.695SS**PPolyproline II helixtrans-73.4124.3173-60.7-179.2-173.5178.23.3109.5
4K94.3Very high93.5Very high172 Ų172141.6 Ų141.675%0.74868%0.683SS**PPolyproline II helixtrans-94.8149.7171.4-64.8-172.9177.5-174.60110.7
5K94.4Very high93.8Very high212 Ų212145.7 Ų145.792%0.92269%0.688SS**PPolyproline II helixtrans-65.4142.7169.2-172.2175.7-179.11790109.1
6I95.4Very high94Very high90 Ų90142.2 Ų142.246%0.46268%0.675SS.*  trans-129.8154.5174.667.9172.5000109.9
7Q96.8Very high94.2Very high158 Ų158136.4 Ų136.474%0.73865%0.645SS**  trans-71.4157.3170.6-65.6178.7-5.700110.8T9Q7-T9 HydrophobicContact CB-CG2 4.43Å; Q7-T9 PolarHBondContact O-N 2.78Å
8I96.8Very high94.4Very high144 Ų144134.2 Ų134.274%0.73864%0.635SS**SBendtrans-92.574.1176.1-52.4-56.8000108.8
9T97.4Very high94.6Very high97 Ų97131.2 Ų131.260%0.59563%0.626SS**SBendtrans-134.1169.8178.354.20000110.1Q7 I11Q7-T9 HydrophobicContact CB-CG2 4.43Å; Q7-T9 PolarHBondContact O-N 2.78Å; T9-I11 PolarHBondContact O-N 2.74Å
10R97Very high94.7Very high167 Ų167126.5 Ų126.563%0.6361%0.606SS**  trans-64.7118177.2-178.3178.3177.6126-0.7110M12R10-M12 HydrophobicContact CG-SD 4.45Å; R10-M12 PolarHBondContact O-N 2.92Å; R10-M12 VanDerWaalsContact O-N 3.17Å
11I97.8Very high94.9Very high50 Ų50122.6 Ų122.626%0.25659%0.586SS.*  trans-66.8113.9172.2-57.6173.6000108.3T9 N16 R17 T20T9-I11 PolarHBondContact O-N 2.74Å; I11-N16 HydrophobicContact CG2-CB 4.2Å; I11-R17 HydrophobicContact CB-CB 4Å; I11-R17 HydrophobicContact CB-CG 4.34Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.19Å; I11-R17 PolarHBondContact O-NH1 3.23Å; I11-T20 HydrophobicContact CD1-CG2 3.78Å
12M97.8Very high96.3Very high153 Ų153115.6 Ų115.675%0.75456%0.556SS**  trans-72.5-45-175.6-63.7-57.9-70.700112.5R10 E14 R17R10-M12 HydrophobicContact CG-SD 4.45Å; R10-M12 PolarHBondContact O-N 2.92Å; R10-M12 VanDerWaalsContact O-N 3.17Å; M12-E14 PolarHBondContact O-N 3.28Å; M12-R17 PolarHBondContact O-NH1 3.36Å
13D97.4Very high96.8Very high79 Ų79119.7 Ų119.742%0.42255%0.554SS.*  trans-58.9119.9174.9175.4-28.4000111.5R15 N16 R17D13-R15 WeakPolarHBondContact OD1-CA 3.38Å; D13-R15 WeakPolarHBondContact OD1-CB 3.5Å; D13-R15 PolarHBondContact OD1-N 3.03Å; D13-N16 HydrophobicContact CB-CB 4.07Å; D13-N16 PolarHBondContact OD1-N 3.1Å; D13-N16 PolarHBondContact OD2-ND2 3.17Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.37Å
14E97.6Very high97.1Very high112 Ų112114 Ų11452%0.52353%0.533SS..Hα-helixtrans-62-44.3-178.3-162.565.1-115.100113.3M12 R17 Q18M12-E14 PolarHBondContact O-N 3.28Å; E14-R17 PolarHBondContact O-N 3.06Å; E14-R17 IonicContact OE1-CZ 2.66Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.59Å; E14-R17 IonicContact OE1-NH2 3.69Å; E14-R17 PolarHBondContact OE1-NH2 2.67Å; E14-R17 IonicContact OE2-CZ 2.65Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.14Å; E14-R17 PolarHBondContact OE2-NH2 2.75Å; E14-Q18 WeakPolarHBondContact O-CB 3.3Å; E14-Q18 PolarHBondContact O-N 3.21Å
15R97.8Very high97.3Very high203 Ų203108 Ų10877%0.76651%0.507SS*.Hα-helixtrans-67.9-45.8-176.4-175.9-175.2-68.1152.6-2.3109.8D13 Q18 V19D13-R15 WeakPolarHBondContact OD1-CA 3.38Å; D13-R15 WeakPolarHBondContact OD1-CB 3.5Å; D13-R15 PolarHBondContact OD1-N 3.03Å; R15-Q18 PolarHBondContact O-N 3.41Å; R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.18Å
16N96.9Very high97.5Very high90 Ų90104.9 Ų104.948%0.48149%0.494SS..Hα-helixtrans-68.3-35175.7-82.3-52.1000112.1I11 D13 T20I11-N16 HydrophobicContact CG2-CB 4.2Å; D13-N16 HydrophobicContact CB-CB 4.07Å; D13-N16 PolarHBondContact OD1-N 3.1Å; D13-N16 PolarHBondContact OD2-ND2 3.17Å; N16-T20 WeakPolarHBondContact O-CB 3.49Å; N16-T20 PolarHBondContact O-N 3.31Å; N16-T20 PolarHBondContact O-OG1 3.19Å
17R97.8Very high97.6Very high44 Ų44102.2 Ų102.217%0.16649%0.489CS..Hα-helixtrans-64.5-47.9173.2-174.7167.166.9-111.27.3111.7I11 M12 D13 E14 T20 F21I11-R17 HydrophobicContact CB-CB 4Å; I11-R17 HydrophobicContact CB-CG 4.34Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.19Å; I11-R17 PolarHBondContact O-NH1 3.23Å; M12-R17 PolarHBondContact O-NH1 3.36Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.37Å; E14-R17 PolarHBondContact O-N 3.06Å; E14-R17 IonicContact OE1-CZ 2.66Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.59Å; E14-R17 IonicContact OE1-NH2 3.69Å; E14-R17 PolarHBondContact OE1-NH2 2.67Å; E14-R17 IonicContact OE2-CZ 2.65Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.14Å; E14-R17 PolarHBondContact OE2-NH2 2.75Å; R17-T20 PolarHBondContact O-N 3.07Å; R17-F21 WeakPolarHBondContact O-CB 3.34Å; R17-F21 PolarHBondContact O-N 2.97Å
18Q97.8Very high97.7Very high97 Ų9799 Ų9945%0.45348%0.476SS..Hα-helixtrans-64.8-44.4-179.6-179.361.14.400112.4E14 R15 T20 F21 T22E14-Q18 WeakPolarHBondContact O-CB 3.3Å; E14-Q18 PolarHBondContact O-N 3.21Å; R15-Q18 PolarHBondContact O-N 3.41Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.2Å; Q18-F21 PolarHBondContact O-N 2.67Å; Q18-T22 PolarHBondContact O-N 3.25Å; Q18-T22 PolarHBondContact O-OG1 3.23Å
19V97.4Very high97.8Very high77 Ų7793.3 Ų93.347%0.46745%0.446SS..Hα-helixtrans-63.1-39.9174.8171.50000111.2R15 K23R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.18Å; V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.08Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.24Å
20T97Very high97.9Very high37 Ų3793.9 Ų93.923%0.22744%0.441CS..Hα-helixtrans-68.9-40.2177.1-59.30000111.9I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.78Å; N16-T20 WeakPolarHBondContact O-CB 3.49Å; N16-T20 PolarHBondContact O-N 3.31Å; N16-T20 PolarHBondContact O-OG1 3.19Å; R17-T20 PolarHBondContact O-N 3.07Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.2Å; T20-K23 PolarHBondContact O-N 3.04Å; T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 2.93Å
21F98.3Very high98Very high45 Ų4592.2 Ų92.220%0.19744%0.438CS..Hα-helixtrans-58.8-55.6176.1175.9-102000110.8R17 Q18 K23 R24 K25 I47 N49 F55R17-F21 WeakPolarHBondContact O-CB 3.34Å; R17-F21 PolarHBondContact O-N 2.97Å; Q18-F21 PolarHBondContact O-N 2.67Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 3.47Å; F21-R24 PolarHBondContact O-N 2.87Å; F21-K25 HydrophobicContact CE1-CD 4.03Å; F21-K25 HydrophobicContact CZ-CD 3.97Å; F21-K25 WeakPolarHBondContact O-CB 3.5Å; F21-K25 PolarHBondContact O-N 2.65Å; F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.28Å; F21-N49 HydrophobicContact CZ-CB 3.94Å; F21-F55 HydrophobicContact CE1-CD2 4.06Å; F21-F55 AromaticContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CZ 4.01Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CG 4.44Å; F21-F55 HydrophobicContact CZ-CZ 4.5Å
22T97.9Very high98Very high74 Ų7490.5 Ų90.545%0.45443%0.432SS..Hα-helixtrans-54.2-45.3178.9-61.60000112Q18 F26Q18-T22 PolarHBondContact O-N 3.25Å; Q18-T22 PolarHBondContact O-OG1 3.23Å; T22-F26 PolarHBondContact O-N 2.84Å
23K97.1Very high98.1Very high153 Ų15389.6 Ų89.667%0.66542%0.42SS*.Hα-helixtrans-72.4-41.4-178.4-67.917570.3168.30113.2V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.08Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.24Å; T20-K23 PolarHBondContact O-N 3.04Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 3.47Å; K23-G27 PolarHBondContact O-N 3.03Å; K23-G27 VanDerWaalsContact O-N 3.09Å
24R98.3Very high98.1Very high141 Ų14188 Ų8853%0.53241%0.411SS..Hα-helixtrans-71.6-39.3177.5-74.3-169.7176-150-1.3111.9T20 F21 F26 G27 L28T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 2.93Å; F21-R24 PolarHBondContact O-N 2.87Å; R24-F26 PolarHBondContact O-N 3.46Å; R24-G27 PolarHBondContact O-N 2.96Å; R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 PolarHBondContact O-N 2.59Å
25K98.5Very high98.2Very high46 Ų4687.1 Ų87.120%0.241%0.409CS..Hα-helixtrans-56.5-49.8174.8-170.8-17478.771.40111.1F21 L28 M29 I47 F55F21-K25 HydrophobicContact CE1-CD 4.03Å; F21-K25 HydrophobicContact CZ-CD 3.97Å; F21-K25 WeakPolarHBondContact O-CB 3.5Å; F21-K25 PolarHBondContact O-N 2.65Å; K25-L28 PolarHBondContact O-N 3.08Å; K25-M29 HydrophobicContact CD-CE 4.14Å; K25-M29 HydrophobicContact CD-SD 4.5Å; K25-M29 HydrophobicContact CG-CE 3.88Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.4Å; K25-M29 WeakPolarHBondContact O-CB 3.32Å; K25-M29 VanDerWaalsContact O-CG 3.27Å; K25-M29 WeakPolarHBondContact O-CG 3.22Å; K25-M29 PolarHBondContact O-N 3.1Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.99Å; K25-F55 HydrophobicContact CD-CG 3.87Å
26F98.6Very high98.2Very high145 Ų14578 Ų7864%0.63638%0.376SS*.Hα-helixtrans-64.5-41.7176.9-175.1-98.5000112.5T22 R24 L28 M29 K30T22-F26 PolarHBondContact O-N 2.84Å; R24-F26 PolarHBondContact O-N 3.46Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.94Å; F26-M29 PolarHBondContact O-N 2.91Å; F26-K30 PolarHBondContact O-N 3.35Å
27G98.6Very high98.3Very high35 Ų3578 Ų7836%0.36138%0.38SS..Hα-helixtrans-62-38.7175.700000113.8K23 R24 K30 K31K23-G27 PolarHBondContact O-N 3.03Å; K23-G27 VanDerWaalsContact O-N 3.09Å; R24-G27 PolarHBondContact O-N 2.96Å; G27-K30 PolarHBondContact O-N 2.9Å; G27-K31 PolarHBondContact O-N 3.42Å; G27-K31 VanDerWaalsContact O-N 3.08Å
28L98.7Very high98.3Very high90 Ų9082.8 Ų82.847%0.47141%0.408SS..Hα-helixtrans-69-44.8176-177.460.7000111.4R24 K25 F26 K30 K31 A32 L45 I47R24-L28 WeakPolarHBondContact O-CB 3.43Å; R24-L28 PolarHBondContact O-N 2.59Å; K25-L28 PolarHBondContact O-N 3.08Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.94Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.39Å; L28-K31 PolarHBondContact O-N 3.31Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 2.94Å; L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; L28-I47 HydrophobicContact CD2-CD1 4.35Å
29M98.6Very high98.4Very high24 Ų2481.8 Ų81.812%0.11841%0.41CS..Hα-helixtrans-59.3-40.8173.7-71.4167.3166.100111.8K25 F26 K31 A32 Y33 L45 Q56 Y57K25-M29 HydrophobicContact CD-CE 4.14Å; K25-M29 HydrophobicContact CD-SD 4.5Å; K25-M29 HydrophobicContact CG-CE 3.88Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.4Å; K25-M29 WeakPolarHBondContact O-CB 3.32Å; K25-M29 VanDerWaalsContact O-CG 3.27Å; K25-M29 WeakPolarHBondContact O-CG 3.22Å; K25-M29 PolarHBondContact O-N 3.1Å; F26-M29 PolarHBondContact O-N 2.91Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.82Å; M29-A32 PolarHBondContact O-N 2.92Å; M29-Y33 PolarHBondContact O-N 3.34Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; M29-Q56 WeakPolarHBondContact CE-O 3.15Å; M29-Y57 HydrophobicContact CG-CG 4.31Å
30K98.8Very high98.4Very high109 Ų10985.9 Ų85.947%0.47443%0.429SS..Hα-helixtrans-63.6-36.9173.9-168.3177-167.6-73.30112.5F26 G27 L28 E34F26-K30 PolarHBondContact O-N 3.35Å; G27-K30 PolarHBondContact O-N 2.9Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.39Å; K30-E34 IonicContact NZ-OE1 2.67Å; K30-E34 PolarHBondContact NZ-OE1 2.91Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.29Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.46Å
31K98.8Very high98.4Very high133 Ų13386.7 Ų86.758%0.57844%0.436SS*.Hα-helixtrans-72.2-36.7176.8-81.7-74.3165.6-158.80113.2G27 L28 M29 E34 L35G27-K31 PolarHBondContact O-N 3.42Å; G27-K31 VanDerWaalsContact O-N 3.08Å; L28-K31 PolarHBondContact O-N 3.31Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.82Å; K31-E34 WeakPolarHBondContact CD-OE2 3.45Å; K31-E34 WeakPolarHBondContact CE-OE2 3.32Å; K31-E34 IonicContact NZ-OE2 3.52Å; K31-E34 PolarHBondContact NZ-OE2 3.33Å; K31-L35 WeakPolarHBondContact O-CB 3.27Å; K31-L35 PolarHBondContact O-N 3.06Å
32A98.7Very high98.4Very high14 Ų1487.5 Ų87.512%0.11644%0.441CS..Hα-helixtrans-62.2-45.6170.400000111.2L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 2.94Å; M29-A32 PolarHBondContact O-N 2.92Å; A32-L35 PolarHBondContact O-N 2.9Å; A32-S36 WeakPolarHBondContact O-CB 3.27Å; A32-S36 PolarHBondContact O-N 3.01Å; A32-S36 PolarHBondContact O-OG 3.44Å; A32-I43 HydrophobicContact CB-CG2 4.18Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.65Å
33Y98.7Very high98.4Very high133 Ų13385.8 Ų85.852%0.52243%0.428SS..Hα-helixtrans-57.5-52.9173.6172.6-103000112.4M29 L35 S36 V37 Y57M29-Y33 PolarHBondContact O-N 3.34Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.21Å; Y33-S36 WeakPolarHBondContact CA-OG 3.26Å; Y33-S36 PolarHBondContact O-N 3.44Å; Y33-S36 PolarHBondContact O-OG 3.16Å; Y33-V37 HydrophobicContact CD2-CG2 4.05Å; Y33-V37 HydrophobicContact CE1-CG2 4.41Å; Y33-V37 HydrophobicContact CE2-CG2 3.6Å; Y33-V37 WeakPolarHBondContact O-CG2 3.3Å; Y33-V37 PolarHBondContact O-N 3.45Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.16Å
34E98.8Very high98.5Very high47 Ų4780.3 Ų80.322%0.2241%0.412CS..Hα-helixtrans-54.4-44.8177.6-76.1167.3-168.300112.2K30 K31 L38K30-E34 IonicContact NZ-OE1 2.67Å; K30-E34 PolarHBondContact NZ-OE1 2.91Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.29Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 3.46Å; K31-E34 WeakPolarHBondContact CD-OE2 3.45Å; K31-E34 WeakPolarHBondContact CE-OE2 3.32Å; K31-E34 IonicContact NZ-OE2 3.52Å; K31-E34 PolarHBondContact NZ-OE2 3.33Å; E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3Å
35L98.7Very high98.5Very high93 Ų9375.3 Ų75.349%0.48740%0.395SS..Hα-helixtrans-66.2-44.4177.9-176.861.1000112.3K31 A32 Y33 V37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.27Å; K31-L35 PolarHBondContact O-N 3.06Å; A32-L35 PolarHBondContact O-N 2.9Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.21Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 2.71Å; L35-L38 PolarHBondContact O-N 3.5Å; L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.1Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.97Å
36S98.4Very high98.5Very high10 Ų1077 Ų777%0.0741%0.406CS..Hα-helixtrans-60.6-37.5179.159.90000113.2A32 Y33 D40 C41 S59A32-S36 WeakPolarHBondContact O-CB 3.27Å; A32-S36 PolarHBondContact O-N 3.01Å; A32-S36 PolarHBondContact O-OG 3.44Å; Y33-S36 WeakPolarHBondContact CA-OG 3.26Å; Y33-S36 PolarHBondContact O-N 3.44Å; Y33-S36 PolarHBondContact O-OG 3.16Å; S36-D40 WeakPolarHBondContact O-CA 3.33Å; S36-D40 PolarHBondContact O-N 3.22Å; S36-C41 WeakPolarHBondContact CA-O 3.48Å; S36-C41 WeakPolarHBondContact CB-O 3.47Å; S36-C41 PolarHBondContact O-N 3.25Å; S36-S59 WeakPolarHBondContact OG-CB 3.4Å
37V98.5Very high98.5Very high92 Ų9271.6 Ų71.656%0.55838%0.383SS*.Hα-helixtrans-80.3-36.6179.3178.40000112.6Y33 L35Y33-V37 HydrophobicContact CD2-CG2 4.05Å; Y33-V37 HydrophobicContact CE1-CG2 4.41Å; Y33-V37 HydrophobicContact CE2-CG2 3.6Å; Y33-V37 WeakPolarHBondContact O-CG2 3.3Å; Y33-V37 PolarHBondContact O-N 3.45Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 2.71Å
38L98.7Very high98.5Very high144 Ų14476 Ų7675%0.75439%0.393SS*.Hα-helixtrans-76.5-23.8-178.1-71.5170.7000113.8E34 L35E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.36Å; E34-L38 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3.5Å
39C98.6Very high98.4Very high76 Ų7673 Ų7351%0.51438%0.377SS..THydrogen-bonded Turntrans-126.212.1-173.2-58.40000113.9L35 C41L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 3.43Å; L35-C39 VanDerWaalsContact O-N 3.1Å; C39-C41 PolarHBondContact O-N 3.24Å; C39-C41 PolarHBondContact O-SG 3.26Å
40D98.1Very high98.2Very high162 Ų16275.5 Ų75.587%0.86640%0.397SS*.THydrogen-bonded Turntrans47.252.6-176.5-160.522.6000113.4S36S36-D40 WeakPolarHBondContact O-CA 3.33Å; S36-D40 PolarHBondContact O-N 3.22Å
41C97.5Very high98.1Very high55 Ų5574.5 Ų74.537%0.37240%0.4SS..  trans-112.2129.7-170.6-75.60000112.8S36 C39 I43 S59S36-C41 WeakPolarHBondContact CA-O 3.48Å; S36-C41 WeakPolarHBondContact CB-O 3.47Å; S36-C41 PolarHBondContact O-N 3.25Å; C39-C41 PolarHBondContact O-N 3.24Å; C39-C41 PolarHBondContact O-SG 3.26Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.24Å; C41-S59 PolarHBondContact O-OG 2.71Å
42E97.8Very high98Very high62 Ų6274.8 Ų74.829%0.2941%0.408SS..  trans-77.1121.1168.5-65.8-170118.800110.2K64 V65 K68E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.67Å; E42-K64 PolarHBondContact OE1-NZ 3.04Å; E42-V65 HydrophobicContact CB-CG2 4.15Å; E42-K68 IonicContact OE2-NZ 2.71Å; E42-K68 PolarHBondContact OE2-NZ 3.09Å
43I98.3Very high97.9Very high37 Ų3780.6 Ų80.619%0.1943%0.43CS..  trans-132.6124.7-174.6-59.4177.6000109.2A32 L35 C41 A58 S59A32-I43 HydrophobicContact CB-CG2 4.18Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.97Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.24Å; I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; I43-S59 PolarHBondContact N-OG 2.72Å; I43-S59 PolarHBondContact O-N 2.97Å
44A98.3Very high97.9Very high39 Ų3978.1 Ų78.132%0.32243%0.426SS..EExtended strand (participates in β ladder)trans-106.8144.916600000110.6M62 V65A44-M62 HydrophobicContact CB-CE 4.01Å; A44-M62 HydrophobicContact CB-SD 3.72Å; A44-V65 HydrophobicContact CB-CB 4.17Å; A44-V65 HydrophobicContact CB-CG1 3.57Å
45L98.5Very high97.9Very high36 Ų3678.9 Ų78.919%0.18843%0.429CS..EExtended strand (participates in β ladder)trans-140.6118.8178.3175.162.5000109.9L28 M29 I47 Q56 Y57L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; L45-I47 HydrophobicContact CD1-CD1 4.34Å; L45-I47 HydrophobicContact CD1-CG1 4.14Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; L45-Q56 CarbonylContact O-C 3.56Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; L45-Y57 HydrophobicContact CB-CD1 4.35Å; L45-Y57 PolarHBondContact N-O 3.39Å; L45-Y57 PolarHBondContact O-N 3.19Å
46I98.4Very high97.9Very high82 Ų8279.4 Ų79.442%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-114.2129.2179.4-67.2174.3000108.8F48 L54 M62 L66I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CZ 4.28Å; I46-L54 HydrophobicContact CG2-CD1 3.8Å; I46-M62 HydrophobicContact CG1-CE 4.01Å; I46-L66 HydrophobicContact CD1-CD2 4.28Å
47I98.6Very high97.9Very high30 Ų3081 Ų8115%0.15443%0.434CS..EExtended strand (participates in β ladder)trans-134.5111.9-179.8-57.9170.9000109.2F21 K25 L28 L45 F55F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; L28-I47 HydrophobicContact CD2-CD1 4.35Å; L45-I47 HydrophobicContact CD1-CD1 4.34Å; L45-I47 HydrophobicContact CD1-CG1 4.14Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.11Å; I47-F55 PolarHBondContact O-N 3.48Å
48F98.4Very high97.9Very high128 Ų12877.8 Ų77.856%0.56142%0.416SS*.EExtended strand (participates in β ladder)trans-89.4134.5163.7-64.7-82.7000109.7I46 L54I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CZ 4.28Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.46Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 3.98Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å
49N96.5Very high97.9Very high27 Ų2772.6 Ų72.614%0.14439%0.392CS..  trans-86.2176.9170.483-21.4000111.4F21 T51 N52 K53 F55F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.28Å; F21-N49 HydrophobicContact CZ-CB 3.94Å; N49-T51 PolarHBondContact ND2-OG1 2.98Å; N49-T51 PolarHBondContact O-N 3.22Å; N49-T51 VanDerWaalsContact OD1-C 3.24Å; N49-T51 WeakPolarHBondContact OD1-CA 3.31Å; N49-T51 PolarHBondContact OD1-N 3.39Å; N49-T51 PolarHBondContact OD1-OG1 3.47Å; N49-N52 PolarHBondContact O-N 2.89Å; N49-N52 PolarHBondContact OD1-N 2.81Å; N49-K53 PolarHBondContact N-O 3.48Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.5Å; N49-K53 PolarHBondContact OD1-N 2.85Å; N49-F55 HydrophobicContact CB-CE2 4.1Å
50S95.3Very high97.8Very high77 Ų7773 Ų7354%0.53839%0.392SS..THydrogen-bonded Turntrans-69.36.4176.560.60000115.5
51T96.2Very high97.8Very high88 Ų8869.4 Ų69.454%0.5437%0.373SS..THydrogen-bonded Turntrans-121.226169.773.80000110.7N49 K53N49-T51 PolarHBondContact ND2-OG1 2.98Å; N49-T51 PolarHBondContact O-N 3.22Å; N49-T51 VanDerWaalsContact OD1-C 3.24Å; N49-T51 WeakPolarHBondContact OD1-CA 3.31Å; N49-T51 PolarHBondContact OD1-N 3.39Å; N49-T51 PolarHBondContact OD1-OG1 3.47Å; T51-K53 PolarHBondContact O-N 3.39Å
52N96.8Very high97.8Very high138 Ų13867.4 Ų67.474%0.73836%0.359SS*.  trans52.420.7179.8-59.3-13.9000115.6N49 L54N49-N52 PolarHBondContact O-N 2.89Å; N49-N52 PolarHBondContact OD1-N 2.81Å; N52-L54 PolarHBondContact O-N 2.82Å
53K98Very high97.8Very high136 Ų13670.2 Ų70.259%0.59138%0.375SS*.  trans-78.1122.3172.6-65.9-173.2177.4-1710109.1N49 T51 F55N49-K53 PolarHBondContact N-O 3.48Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.5Å; N49-K53 PolarHBondContact OD1-N 2.85Å; T51-K53 PolarHBondContact O-N 3.39Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.43Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å
54L98.1Very high97.7Very high82 Ų8273.8 Ų73.843%0.42939%0.389SS..EExtended strand (participates in β ladder)trans-71.1134.5174.1176.258.6000110.8I46 F48 N52I46-L54 HydrophobicContact CG2-CD1 3.8Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.46Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 3.98Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å; N52-L54 PolarHBondContact O-N 2.82Å
55F98.5Very high97.7Very high63 Ų6372.8 Ų72.828%0.27638%0.38SS..EExtended strand (participates in β ladder)trans-130124.6163.3-58.1-94.3000107.9F21 K25 I47 N49 K53F21-F55 HydrophobicContact CE1-CD2 4.06Å; F21-F55 AromaticContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CE2 3.73Å; F21-F55 HydrophobicContact CE1-CZ 4.01Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CE2 3.79Å; F21-F55 HydrophobicContact CZ-CG 4.44Å; F21-F55 HydrophobicContact CZ-CZ 4.5Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.99Å; K25-F55 HydrophobicContact CD-CG 3.87Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.11Å; I47-F55 PolarHBondContact O-N 3.48Å; N49-F55 HydrophobicContact CB-CE2 4.1Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.43Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å
56Q98.3Very high97.6Very high104 Ų10474.3 Ų74.349%0.48639%0.388SS..EExtended strand (participates in β ladder)trans-120.6160.9-17870.4-166.565.100112.9M29 L45 M62M29-Q56 WeakPolarHBondContact CE-O 3.15Å; L45-Q56 CarbonylContact O-C 3.56Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; Q56-M62 HydrophobicContact CB-CE 3.84Å; Q56-M62 HydrophobicContact CG-CE 4.49Å
57Y98.6Very high97.5Very high44 Ų4475.3 Ų75.317%0.17339%0.393CS..EExtended strand (participates in β ladder)trans-147.8141.8166.7165.8-91.9000108.5M29 A32 Y33 L45 S59 M62M29-Y57 HydrophobicContact CG-CG 4.31Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.65Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.16Å; L45-Y57 HydrophobicContact CB-CD1 4.35Å; L45-Y57 PolarHBondContact N-O 3.39Å; L45-Y57 PolarHBondContact O-N 3.19Å; Y57-S59 WeakPolarHBondContact OH-CA 3.44Å; Y57-M62 VanDerWaalsContact O-CE 3.26Å; Y57-M62 WeakPolarHBondContact O-CE 3.33Å
58A98.5Very high97.4Very high24 Ų2477.7 Ų77.720%0.19840%0.402CS..EExtended strand (participates in β ladder)trans-132.5149.1165.800000108.3I43 T60 M62I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-M62 HydrophobicContact CB-CB 4.2Å; A58-M62 HydrophobicContact CB-CE 4.39Å
59S98.1Very high97.2Very high35 Ų3579.5 Ų79.525%0.24541%0.407CS..SBendtrans-75.5-24.8173.658.40000113.1S36 C41 I43 Y57S36-S59 WeakPolarHBondContact OG-CB 3.4Å; C41-S59 PolarHBondContact O-OG 2.71Å; I43-S59 PolarHBondContact N-OG 2.72Å; I43-S59 PolarHBondContact O-N 2.97Å; Y57-S59 WeakPolarHBondContact OH-CA 3.44Å
60T97.1Very high97.1Very high84 Ų8483.2 Ų83.252%0.51543%0.43SS..SBendtrans-121.8-88.5174.952.30000110.5A58A58-T60 VanDerWaalsContact C-N 3.34Å
61D97.4Very high97Very high86 Ų8685.5 Ų85.546%0.4643%0.432SS..  trans-135.4138.5179.5-174.2-64.4000108.9D63 K64 V65D61-D63 PolarHBondContact OD1-N 3.45Å; D61-K64 HydrophobicContact CB-CB 3.9Å; D61-K64 PolarHBondContact OD1-N 3.28Å; D61-V65 WeakPolarHBondContact O-CG2 3.31Å; D61-V65 PolarHBondContact O-N 2.84Å
62M98.1Very high96.7Very high14 Ų1488.9 Ų88.97%0.06944%0.437CS..Hα-helixtrans-70.4-44-176.7-179.256.481.900111.8A44 I46 Q56 Y57 A58 K64 V65 L66A44-M62 HydrophobicContact CB-CE 4.01Å; A44-M62 HydrophobicContact CB-SD 3.72Å; I46-M62 HydrophobicContact CG1-CE 4.01Å; Q56-M62 HydrophobicContact CB-CE 3.84Å; Q56-M62 HydrophobicContact CG-CE 4.49Å; Y57-M62 VanDerWaalsContact O-CE 3.26Å; Y57-M62 WeakPolarHBondContact O-CE 3.33Å; A58-M62 HydrophobicContact CB-CB 4.2Å; A58-M62 HydrophobicContact CB-CE 4.39Å; M62-K64 VanDerWaalsContact C-N 3.32Å; M62-K64 PolarHBondContact O-N 3.25Å; M62-V65 PolarHBondContact O-N 3.35Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.23Å; M62-L66 WeakPolarHBondContact O-CB 3.36Å; M62-L66 WeakPolarHBondContact O-CG 3.34Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CD2 4.35Å; M62-L66 HydrophobicContact SD-CG 3.81Å
63D97.5Very high95.7Very high120 Ų12090.5 Ų90.564%0.64245%0.445SS*.Hα-helixtrans-71.4-34.8-174.3-62.2-16.4000109.7D61 L67D61-D63 PolarHBondContact OD1-N 3.45Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.33Å; D63-L67 PolarHBondContact O-N 3.29Å
64K97.5Very high95.1Very high112 Ų11291.9 Ų91.949%0.48745%0.454SS..Hα-helixtrans-59.7-47.4170.4-169-158.8176.8-159.80112.4E42 D61 M62 K68E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.67Å; E42-K64 PolarHBondContact OE1-NZ 3.04Å; D61-K64 HydrophobicContact CB-CB 3.9Å; D61-K64 PolarHBondContact OD1-N 3.28Å; M62-K64 VanDerWaalsContact C-N 3.32Å; M62-K64 PolarHBondContact O-N 3.25Å; K64-K68 WeakPolarHBondContact O-CB 3.34Å; K64-K68 PolarHBondContact O-N 3.04Å
65V97.3Very high94.7Very high19 Ų1991.3 Ų91.312%0.11546%0.455CS..Hα-helixtrans-73.5-33-177.2177.20000111.5E42 A44 D61 M62 Y69E42-V65 HydrophobicContact CB-CG2 4.15Å; A44-V65 HydrophobicContact CB-CB 4.17Å; A44-V65 HydrophobicContact CB-CG1 3.57Å; D61-V65 WeakPolarHBondContact O-CG2 3.31Å; D61-V65 PolarHBondContact O-N 2.84Å; M62-V65 PolarHBondContact O-N 3.35Å; V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 2.78Å
66L96.8Very high94.4Very high68 Ų6897.9 Ų97.936%0.35649%0.486SS..Hα-helixtrans-70.6-41.3173.2-70.2176000112.6I46 M62 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.28Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.23Å; M62-L66 WeakPolarHBondContact O-CB 3.36Å; M62-L66 WeakPolarHBondContact O-CG 3.34Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CD2 4.35Å; M62-L66 HydrophobicContact SD-CG 3.81Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 3.19Å; L66-T70 PolarHBondContact O-N 3Å; L66-T70 PolarHBondContact O-OG1 3.13Å
67L96.2Very high94.1Very high102 Ų10298.9 Ų98.953%0.53449%0.491SS..Hα-helixtrans-58.8-50.6173.4177.561.8000110.4D63 Y69 T70 E71D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.33Å; D63-L67 PolarHBondContact O-N 3.29Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.01Å; L67-T70 PolarHBondContact O-N 3.03Å; L67-T70 PolarHBondContact O-OG1 3.13Å; L67-E71 WeakPolarHBondContact O-CG 3.2Å; L67-E71 PolarHBondContact O-N 3.22Å; L67-E71 VanDerWaalsContact O-N 3.16Å
68K95.4Very high93.9Very high81 Ų81100.9 Ų100.935%0.35251%0.511SS..Hα-helixtrans-54.9-44.9173.7-176.2174.9175.3175.20111.6E42 K64 T70 E71 Y72E42-K68 IonicContact OE2-NZ 2.71Å; E42-K68 PolarHBondContact OE2-NZ 3.09Å; K64-K68 WeakPolarHBondContact O-CB 3.34Å; K64-K68 PolarHBondContact O-N 3.04Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.97Å; K68-E71 WeakPolarHBondContact O-CB 3.42Å; K68-E71 PolarHBondContact O-N 2.95Å; K68-Y72 HydrophobicContact CG-CD2 4.25Å; K68-Y72 HydrophobicContact CG-CE2 3.88Å; K68-Y72 VanDerWaalsContact O-CD2 3.3Å; K68-Y72 WeakPolarHBondContact O-CD2 3.4Å; K68-Y72 PolarHBondContact O-N 2.84Å
69Y95.3Very high93.8Very high165 Ų165107 Ų10765%0.64753%0.529SS*.Hα-helixtrans-58.5-37.6175.6176.4-92.4000112.7V65 L66 L67 E71 Y72V65-Y69 WeakPolarHBondContact O-CB 3.43Å; V65-Y69 PolarHBondContact O-N 2.78Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 3.19Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 2.89Å; Y69-Y72 PolarHBondContact O-N 3.46Å
70T94.4Very high93.8Very high105 Ų105108.4 Ų108.464%0.64454%0.536SS*.Hα-helixtrans-74.8-13.4175.654.70000115L66 L67 K68L66-T70 PolarHBondContact O-N 3Å; L66-T70 PolarHBondContact O-OG1 3.13Å; L67-T70 PolarHBondContact O-N 3.03Å; L67-T70 PolarHBondContact O-OG1 3.13Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.97Å
71E93.4Very high93.7Very high125 Ų125111 Ų11158%0.58455%0.547SS*.Hα-helixtrans-84.4-21.1174.6-67.5167.6174.300112.6L67 K68 Y69L67-E71 WeakPolarHBondContact O-CG 3.2Å; L67-E71 PolarHBondContact O-N 3.22Å; L67-E71 VanDerWaalsContact O-N 3.16Å; K68-E71 WeakPolarHBondContact O-CB 3.42Å; K68-E71 PolarHBondContact O-N 2.95Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 2.89Å
72Y88.9Confident93.7Very high160 Ų160110.6 Ų110.663%0.62755%0.551SS**  trans-94.6115.9175.8-74.3-86000111.4K68 Y69 E74K68-Y72 HydrophobicContact CG-CD2 4.25Å; K68-Y72 HydrophobicContact CG-CE2 3.88Å; K68-Y72 VanDerWaalsContact O-CD2 3.3Å; K68-Y72 WeakPolarHBondContact O-CD2 3.4Å; K68-Y72 PolarHBondContact O-N 2.84Å; Y69-Y72 PolarHBondContact O-N 3.46Å; Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-E74 PolarHBondContact O-N 2.72Å
73N75.3Confident93.6Very high171 Ų171112.4 Ų112.491%0.91456%0.561SS**SBendtrans-68.3-26.8-177.7-63.8-75.9000114.3
74E86.1Confident93.5Very high166 Ų166110.7 Ų110.778%0.77655%0.551SS**SBendtrans-147.1132.4-177.5-168.1168.8-160.900111.1Y72Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-E74 PolarHBondContact O-N 2.72Å
75P90.6Very high93.4Very high70 Ų70109 Ų10946%0.45555%0.549SS..  trans-79.2134.3177.831.6-34.6000111.8E77P75-E77 VanDerWaalsContact C-N 3.26Å; P75-E77 PolarHBondContact O-N 2.72Å
76H90.6Very high93.3Very high201 Ų201113.4 Ų113.493%0.93157%0.569SS**SBendtrans-59.3-33.6179.1-179.663.4000113.9
77E93.8Very high93.1Very high124 Ų124114 Ų11458%0.57958%0.576SS**SBendtrans-135.9132.2167.4-176.5175.9-158.300109P75 R79P75-E77 VanDerWaalsContact C-N 3.26Å; P75-E77 PolarHBondContact O-N 2.72Å; E77-R79 HydrophobicContact CG-CG 4.14Å; E77-R79 IonicContact OE1-CZ 2.61Å; E77-R79 IonicContact OE1-NE 3.61Å; E77-R79 PolarHBondContact OE1-NE 2.71Å; E77-R79 IonicContact OE1-NH2 3.91Å; E77-R79 PolarHBondContact OE1-NH2 2.91Å
78S93.9Very high92.9Very high86 Ų86115.1 Ų115.160%0.60158%0.581SS**  trans-123.1136.6172.1-173.30000109.5
79R95.7Very high92.7Very high153 Ų153118 Ų11858%0.57759%0.59SS**  trans-139.2136.6-178-65.1-64.2-177.2-167.3-5111.6E77E77-R79 HydrophobicContact CG-CG 4.14Å; E77-R79 IonicContact OE1-CZ 2.61Å; E77-R79 IonicContact OE1-NE 3.61Å; E77-R79 PolarHBondContact OE1-NE 2.71Å; E77-R79 IonicContact OE1-NH2 3.91Å; E77-R79 PolarHBondContact OE1-NH2 2.91Å
80T97.4Very high92.5Very high65 Ų65116.4 Ų116.440%0.39959%0.587SS.*  trans-114.9172.2177.8730000110.7S82 D83 I84T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 WeakPolarHBondContact OG1-CB 3.39Å; T80-S82 PolarHBondContact OG1-N 2.84Å; T80-S82 PolarHBondContact OG1-OG 3.34Å; T80-D83 WeakPolarHBondContact CA-OD2 3.46Å; T80-D83 WeakPolarHBondContact CB-OD2 3.47Å; T80-D83 PolarHBondContact N-OD2 3.5Å; T80-D83 PolarHBondContact O-N 2.71Å; T80-D83 PolarHBondContact OG1-OD2 2.83Å; T80-I84 WeakPolarHBondContact O-CG1 3.47Å; T80-I84 PolarHBondContact O-N 3Å
81N96.8Very high92Very high138 Ų138120.1 Ų120.174%0.73859%0.594SS**Hα-helixtrans-59.1-29.8174.8-69.9-14.1000112.6V85N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.26Å; N81-V85 WeakPolarHBondContact O-CG2 3.24Å; N81-V85 PolarHBondContact O-N 3.32Å
82S96.7Very high90.6Very high77 Ų77117.1 Ų117.154%0.53860%0.597SS.*Hα-helixtrans-60.9-52.6176.4-12.40000111T80 I84 V85 E86T80-S82 PolarHBondContact O-N 2.84Å; T80-S82 WeakPolarHBondContact OG1-CB 3.39Å; T80-S82 PolarHBondContact OG1-N 2.84Å; T80-S82 PolarHBondContact OG1-OG 3.34Å; S82-I84 VanDerWaalsContact C-N 3.32Å; S82-I84 PolarHBondContact O-N 3.25Å; S82-V85 PolarHBondContact O-N 3.29Å; S82-E86 WeakPolarHBondContact O-CB 3.17Å; S82-E86 PolarHBondContact O-N 2.91Å
83D95.8Very high88.9Confident52 Ų52116.5 Ų116.528%0.27860%0.603SS.*Hα-helixtrans-66.9-36.9-174.8-42.8-58.3000111.2T80 E86 T87T80-D83 WeakPolarHBondContact CA-OD2 3.46Å; T80-D83 WeakPolarHBondContact CB-OD2 3.47Å; T80-D83 PolarHBondContact N-OD2 3.5Å; T80-D83 PolarHBondContact O-N 2.71Å; T80-D83 PolarHBondContact OG1-OD2 2.83Å; D83-E86 PolarHBondContact O-N 2.92Å; D83-T87 VanDerWaalsContact O-CB 3.31Å; D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 3.45Å; D83-T87 PolarHBondContact O-OG1 3Å
84I95.5Very high87.7Confident85 Ų85112.3 Ų112.344%0.43658%0.581SS.*Hα-helixtrans-66.3-46.2175.1-63.3166.9000110.4T80 S82 E86 T87 L88T80-I84 WeakPolarHBondContact O-CG1 3.47Å; T80-I84 PolarHBondContact O-N 3Å; S82-I84 VanDerWaalsContact C-N 3.32Å; S82-I84 PolarHBondContact O-N 3.25Å; I84-E86 VanDerWaalsContact C-N 3.34Å; I84-T87 PolarHBondContact O-N 3.38Å; I84-L88 HydrophobicContact CG2-CD1 4.09Å; I84-L88 WeakPolarHBondContact O-CB 3.31Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.29Å
85V95Very high86.1Confident75 Ų75107.6 Ų107.646%0.45558%0.577SS.*Hα-helixtrans-64.2-40.2176.6167.20000111N81 S82 L88 R89N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.26Å; N81-V85 WeakPolarHBondContact O-CG2 3.24Å; N81-V85 PolarHBondContact O-N 3.32Å; S82-V85 PolarHBondContact O-N 3.29Å; V85-L88 PolarHBondContact O-N 2.73Å; V85-R89 WeakPolarHBondContact O-CG 3.41Å; V85-R89 PolarHBondContact O-N 3.46Å
86E94.7Very high84.2Confident112 Ų112110.3 Ų110.352%0.52360%0.596SS.*Hα-helixtrans-64-47.9175.9-171.3166.7140.100112.5S82 D83 I84 L88 R89 K90S82-E86 WeakPolarHBondContact O-CB 3.17Å; S82-E86 PolarHBondContact O-N 2.91Å; D83-E86 PolarHBondContact O-N 2.92Å; I84-E86 VanDerWaalsContact C-N 3.34Å; E86-L88 PolarHBondContact O-N 2.89Å; E86-R89 PolarHBondContact O-N 3.25Å; E86-R89 IonicContact OE2-NH2 2.72Å; E86-K90 WeakPolarHBondContact O-CB 3.5Å; E86-K90 PolarHBondContact O-N 3.03Å
87T93.9Very high82Confident81 Ų81107 Ų10750%0.49759%0.586SS.*Hα-helixtrans-57-40.2176.1-58.40000111.3D83 I84 K91D83-T87 VanDerWaalsContact O-CB 3.31Å; D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 3.45Å; D83-T87 PolarHBondContact O-OG1 3Å; I84-T87 PolarHBondContact O-N 3.38Å; T87-K91 VanDerWaalsContact O-CB 3.23Å; T87-K91 WeakPolarHBondContact O-CB 3.47Å; T87-K91 PolarHBondContact O-N 3.21Å
88L92.1Very high79.6Confident125 Ų125105.5 Ų105.565%0.65459%0.589SS**Hα-helixtrans-68.8-34.6175.8-71.3169.9000113.3I84 V85 E86 G92I84-L88 HydrophobicContact CG2-CD1 4.09Å; I84-L88 WeakPolarHBondContact O-CB 3.31Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.29Å; V85-L88 PolarHBondContact O-N 2.73Å; E86-L88 PolarHBondContact O-N 2.89Å; L88-G92 PolarHBondContact O-N 2.83Å
89R91.8Very high77.5Confident142 Ų142107.1 Ų107.154%0.53660%0.597SS.*Hα-helixtrans-69.6-49172.8-69.4178.2-54-158.13.7111.2V85 E86 K91 G92 L93V85-R89 WeakPolarHBondContact O-CG 3.41Å; V85-R89 PolarHBondContact O-N 3.46Å; E86-R89 PolarHBondContact O-N 3.25Å; E86-R89 IonicContact OE2-NH2 2.72Å; R89-K91 PolarHBondContact O-N 3.49Å; R89-G92 CarbonylContact O-C 3.54Å; R89-G92 WeakPolarHBondContact O-CA 3.33Å; R89-G92 PolarHBondContact O-N 3.41Å; R89-L93 PolarHBondContact O-N 3.2Å
90K90.3Very high74.8Confident132 Ų132106.7 Ų106.757%0.57461%0.606SS**Hα-helixtrans-58.9-46179-170.7172.9-178173.90110.9E86 G92 L93 N94E86-K90 WeakPolarHBondContact O-CB 3.5Å; E86-K90 PolarHBondContact O-N 3.03Å; K90-G92 PolarHBondContact O-N 3.25Å; K90-G92 VanDerWaalsContact O-N 3.16Å; K90-L93 PolarHBondContact O-N 3.26Å; K90-N94 WeakPolarHBondContact CG-OD1 3.39Å; K90-N94 PolarHBondContact O-N 2.81Å; K90-N94 PolarHBondContact O-OD1 3.34Å
91K83.1Confident72.8Confident182 Ų182108.9 Ų108.979%0.79162%0.621SS**THydrogen-bonded Turntrans-70-7.7175.4-161.4157.4-172.9163.90114.4T87 R89T87-K91 VanDerWaalsContact O-CB 3.23Å; T87-K91 WeakPolarHBondContact O-CB 3.47Å; T87-K91 PolarHBondContact O-N 3.21Å; R89-K91 PolarHBondContact O-N 3.49Å
92G63.9Low70.5Confident63 Ų63109.2 Ų109.265%0.64962%0.623SS**THydrogen-bonded Turntrans-95.1-2.5167.700000114.6L88 R89 K90L88-G92 PolarHBondContact O-N 2.83Å; R89-G92 CarbonylContact O-C 3.54Å; R89-G92 WeakPolarHBondContact O-CA 3.33Å; R89-G92 PolarHBondContact O-N 3.41Å; K90-G92 PolarHBondContact O-N 3.25Å; K90-G92 VanDerWaalsContact O-N 3.16Å
93L53.6Low68.1Low146 Ų146110.6 Ų110.676%0.76464%0.639SS**THydrogen-bonded Turntrans-121-34.9179.4-72.9166.6000112.5R89 K90 G95R89-L93 PolarHBondContact O-N 3.2Å; K90-L93 PolarHBondContact O-N 3.26Å; L93-G95 PolarHBondContact O-N 3.22Å
94N50Low65.7Low83 Ų83115.9 Ų115.944%0.44467%0.668SS.*  trans-77.548.2175.4-72.483.4000112.8K90K90-N94 WeakPolarHBondContact CG-OD1 3.39Å; K90-N94 PolarHBondContact O-N 2.81Å; K90-N94 PolarHBondContact O-OD1 3.34Å
95G53.4Low63.2Low68 Ų68118.3 Ų118.370%0.70168%0.682SS**SBendtrans-84.9109.5159.800000107.9L93L93-G95 PolarHBondContact O-N 3.22Å
96C50.9Low60.8Low126 Ų126119 Ų11985%0.85169%0.69SS**SBendtrans65.790.3-161.6-168.80000113.5
97D42.9Very low58.8Low133 Ų133121 Ų12171%0.71171%0.709SS**  trans-136.7110134.4-170.726000106
98S44.9Very low56.1Low92 Ų92120.5 Ų120.564%0.64372%0.72SS**  trans-102.5124.8-177.8-172.80000107.6D100S98-D100 PolarHBondContact O-N 2.62Å
99P49.5Very low54Low120 Ų120124.4 Ų124.478%0.77973%0.734SS**  trans-70.297.2175.829.2-32.7000109P101P99-P101 WeakPolarHBondContact O-CD 3.05Å
100D39.1Very low51.4Low143 Ų143121.9 Ų121.977%0.76574%0.739SS**  trans-77.6115.7168.6-160.48.3000108.1S98 D102S98-D100 PolarHBondContact O-N 2.62Å; D100-D102 VanDerWaalsContact C-N 3.35Å; D100-D102 PolarHBondContact O-N 3.17Å
101P54.4Low49.6Very low111 Ų111120.2 Ų120.272%0.72174%0.741SS**  trans-93.229.6-161.338.1-37.5000114.5P99P99-P101 WeakPolarHBondContact O-CD 3.05Å
102D49.3Very low47.7Very low146 Ų146119.1 Ų119.178%0.78174%0.739SS**  trans-131.675.5-174.2-85-56.1000113.3D100D100-D102 VanDerWaalsContact C-N 3.35Å; D100-D102 PolarHBondContact O-N 3.17Å
103A46.5Very low47.1Very low105 Ų105120 Ų12087%0.86874%0.735SS**  trans-163.394.4158.200000111.8
104D45.6Very low46.9Very low164 Ų164118.3 Ų118.388%0.87772%0.723SS**  trans-90.2159.2159-171.221.1000110.2
105D42.4Very low47.2Very low136 Ų136119.6 Ų119.673%0.72773%0.73SS**  trans90.3137.6165.4-150.911.8000120.9
106S45.1Very low47.2Very low90 Ų90123.9 Ų123.963%0.62973%0.729SS**  trans49.6105.6152.9-74.10000122.6G108S106-G108 PolarHBondContact O-N 2.8Å
107V52.2Low47.4Very low154 Ų154126.3 Ų126.393%0.93372%0.722SS**  20.4100121-173.40000116.5
108G36.5Very low48.3Very low69 Ų69126.3 Ų126.371%0.71171%0.712SS**  trans177.4116164.500000115.2S106 S110S106-G108 PolarHBondContact O-N 2.8Å; G108-S110 PolarHBondContact O-N 3.3Å
109H48Very low49.1Very low207 Ų207129.5 Ų129.596%0.95871%0.714SS**  trans-75.1107.6159.5-82.9-67.9000108.6
110S37.8Very low50Low90 Ų90128.6 Ų128.663%0.62970%0.702SS**  trans-90.5136.5177.7-169.30000111.8G108 E112G108-S110 PolarHBondContact O-N 3.3Å; S110-E112 PolarHBondContact O-N 2.61Å
111P51.7Low51.5Low96 Ų96126.4 Ų126.462%0.62369%0.69SS**THydrogen-bonded Turntrans-85.55.2-163.133.2-37.5000117.1S113 E114P111-S113 VanDerWaalsContact C-N 3.26Å; P111-S113 PolarHBondContact O-N 3Å; P111-E114 PolarHBondContact O-N 2.91Å
112E43.8Very low52.4Low160 Ų160127 Ų12775%0.74868%0.683SS**Hα-helixtrans-70.8-10.5-172.2-68.8-168.1102.200116.1S110S110-E112 PolarHBondContact O-N 2.61Å
113S50.8Low53.5Low81 Ų81124.7 Ų124.757%0.56667%0.671SS**Hα-helixtrans-77-30.1175.859.50000112.7P111 Y117P111-S113 VanDerWaalsContact C-N 3.26Å; P111-S113 PolarHBondContact O-N 3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.35Å
114E50Low54.8Low111 Ų111123.7 Ų123.752%0.51965%0.65SS.*Hα-helixtrans-74.7-39.8-169.7-156.3-177.1121.300112.4P111 K116 Y117 R118P111-E114 PolarHBondContact O-N 2.91Å; E114-K116 VanDerWaalsContact C-N 3.25Å; E114-K116 PolarHBondContact O-N 3.29Å; E114-Y117 PolarHBondContact O-N 2.95Å; E114-Y117 VanDerWaalsContact O-N 3.11Å; E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.32Å; E114-R118 IonicContact OE1-CZ 3.58Å; E114-R118 IonicContact OE1-NE 3.29Å; E114-R118 IonicContact OE1-NH2 3.95Å; E114-R118 PolarHBondContact OE1-NH2 2.84Å
115D57.5Low56.2Low109 Ų109119.8 Ų119.858%0.58363%0.629SS**Hα-helixtrans-60.9-32.9177.8-75.2-40.8000112.8K119D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 3.16Å
116K53.3Low57.7Low159 Ų159117.9 Ų117.969%0.69162%0.618SS**Hα-helixtrans-65.1-43.1174.4-88.2175.7176.4165.40112E114 I120E114-K116 VanDerWaalsContact C-N 3.25Å; E114-K116 PolarHBondContact O-N 3.29Å; K116-I120 WeakPolarHBondContact O-CD1 3.35Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.2Å; K116-I120 PolarHBondContact O-N 3.04Å
117Y54.5Low59Low176 Ų176118.6 Ų118.669%0.6961%0.613SS**Hα-helixtrans-72.8-41.9177.1-76.4-75.2000112.2S113 E114 K119 I120 N121S113-Y117 WeakPolarHBondContact O-CD2 3.35Å; E114-Y117 PolarHBondContact O-N 2.95Å; E114-Y117 VanDerWaalsContact O-N 3.11Å; Y117-K119 VanDerWaalsContact C-N 3.33Å; Y117-K119 PolarHBondContact O-N 3.15Å; Y117-I120 PolarHBondContact O-N 2.81Å; Y117-N121 PolarHBondContact O-N 2.96Å
118R61.1Low60Low133 Ų133115.2 Ų115.250%0.50259%0.589SS.*Hα-helixtrans-56.1-47.3176.9-169.6179.2-66.2-140.53.9111.5E114 I120 N121 E122E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.32Å; E114-R118 IonicContact OE1-CZ 3.58Å; E114-R118 IonicContact OE1-NE 3.29Å; E114-R118 IonicContact OE1-NH2 3.95Å; E114-R118 PolarHBondContact OE1-NH2 2.84Å; R118-I120 PolarHBondContact O-N 3.44Å; R118-N121 PolarHBondContact O-N 3.31Å; R118-N121 VanDerWaalsContact O-N 3.17Å; R118-E122 PolarHBondContact O-N 3.19Å
119K62.8Low61.5Low159 Ų159115.2 Ų115.269%0.69158%0.578SS**Hα-helixtrans-68.5-28.4179.3-165.8167.1-172.4170.80114.2D115 Y117 D123D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 3.16Å; Y117-K119 VanDerWaalsContact C-N 3.33Å; Y117-K119 PolarHBondContact O-N 3.15Å; K119-D123 PolarHBondContact O-N 2.98Å
120I68.4Low62.3Low101 Ų101114.3 Ų114.352%0.51857%0.566SS.*Hα-helixtrans-70.8-40.7170.8-69.5164.4000110.5K116 Y117 R118 D123 I124K116-I120 WeakPolarHBondContact O-CD1 3.35Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.2Å; K116-I120 PolarHBondContact O-N 3.04Å; Y117-I120 PolarHBondContact O-N 2.81Å; R118-I120 PolarHBondContact O-N 3.44Å; I120-D123 PolarHBondContact O-N 3.37Å; I120-I124 HydrophobicContact CG2-CD1 3.98Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.4Å
121N70.1Confident63.2Low98 Ų98116.9 Ų116.952%0.52457%0.568SS.*Hα-helixtrans-67.5-41.5-178.7-145102000112Y117 R118 D123 I124 D125Y117-N121 PolarHBondContact O-N 2.96Å; R118-N121 PolarHBondContact O-N 3.31Å; R118-N121 VanDerWaalsContact O-N 3.17Å; N121-D123 PolarHBondContact O-N 3.32Å; N121-I124 PolarHBondContact O-N 3.01Å; N121-D125 PolarHBondContact ND2-OD2 3.17Å; N121-D125 PolarHBondContact O-N 3.33Å
122E73.6Confident63.5Low124 Ų124122.4 Ų122.458%0.57958%0.577SS**Hα-helixtrans-60.6-40.2174.7-73.2174.9-165.100112.6R118 D125 L126R118-E122 PolarHBondContact O-N 3.19Å; E122-D125 PolarHBondContact O-N 3.01Å; E122-L126 VanDerWaalsContact O-CB 3.27Å; E122-L126 WeakPolarHBondContact O-CB 3.38Å; E122-L126 PolarHBondContact O-N 3.27Å
123D71.1Confident63.9Low96 Ų96121.9 Ų121.951%0.51358%0.578SS.*Hα-helixtrans-69.9-34.1179.7-158.245.3000112K119 I120 N121 M127K119-D123 PolarHBondContact O-N 2.98Å; I120-D123 PolarHBondContact O-N 3.37Å; N121-D123 PolarHBondContact O-N 3.32Å; D123-M127 VanDerWaalsContact O-CB 3.31Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 3.43Å
124I75.5Confident63.7Low84 Ų84123.1 Ų123.143%0.43159%0.586SS.*Hα-helixtrans-64.3-49.6171.6-69167.1000110.9I120 N121 L126 M127 I128I120-I124 HydrophobicContact CG2-CD1 3.98Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.4Å; N121-I124 PolarHBondContact O-N 3.01Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 2.66Å; I124-M127 WeakPolarHBondContact O-CB 3.41Å; I124-M127 PolarHBondContact O-N 3.18Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 3.34Å
125D73.6Confident63.4Low83 Ų83122.6 Ų122.644%0.44460%0.6SS.*Hα-helixtrans-65.6-34179.2-77.6-40.5000112.3N121 E122 S129N121-D125 PolarHBondContact ND2-OD2 3.17Å; N121-D125 PolarHBondContact O-N 3.33Å; E122-D125 PolarHBondContact O-N 3.01Å; D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.31Å; D125-S129 PolarHBondContact O-N 3.11Å; D125-S129 PolarHBondContact O-OG 2.86Å
126L73.8Confident62.9Low96 Ų96123.4 Ų123.450%0.50361%0.609SS.*Hα-helixtrans-67.7-37.4173.5-169.466.8000111.9E122 I124 S129 R130E122-L126 VanDerWaalsContact O-CB 3.27Å; E122-L126 WeakPolarHBondContact O-CB 3.38Å; E122-L126 PolarHBondContact O-N 3.27Å; I124-L126 VanDerWaalsContact C-N 3.31Å; I124-L126 PolarHBondContact O-N 2.66Å; L126-S129 PolarHBondContact O-N 2.98Å; L126-R130 WeakPolarHBondContact O-CG 3.48Å; L126-R130 PolarHBondContact O-N 3.41Å
127M72.4Confident62.5Low104 Ų104121 Ų12151%0.51261%0.61SS.*Hα-helixtrans-68.2-42.9175.8-162.3-177.9-53.200111.8D123 I124 R130 Q131D123-M127 VanDerWaalsContact O-CB 3.31Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 3.43Å; I124-M127 WeakPolarHBondContact O-CB 3.41Å; I124-M127 PolarHBondContact O-N 3.18Å; M127-R130 PolarHBondContact O-N 3.4Å; M127-Q131 WeakPolarHBondContact O-CG 3.27Å; M127-Q131 PolarHBondContact O-N 3.17Å; M127-Q131 VanDerWaalsContact O-N 3.16Å
128I73.9Confident62.3Low84 Ų84118 Ų11843%0.43161%0.612SS.*Hα-helixtrans-62.8-43.6173.5-68.5167.1000110.7I124 R130 Q131 R132I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 3.34Å; I128-R130 PolarHBondContact O-N 3.46Å; I128-Q131 PolarHBondContact O-N 3.3Å; I128-R132 PolarHBondContact O-N 3.48Å
129S68.4Low61.4Low69 Ų69117.4 Ų117.448%0.48363%0.625SS.*Hα-helixtrans-63.2-39.2178.5-630000112.5D125 L126 R132D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.31Å; D125-S129 PolarHBondContact O-N 3.11Å; D125-S129 PolarHBondContact O-OG 2.86Å; L126-S129 PolarHBondContact O-N 2.98Å; S129-R132 PolarHBondContact O-N 3Å
130R64.3Low60.5Low187 Ų187117.1 Ų117.171%0.70663%0.631SS**Hα-helixtrans-63.6-39.7173.3-78.9176.1171.8-91.81.4112.6L126 M127 I128 R132 L133L126-R130 WeakPolarHBondContact O-CG 3.48Å; L126-R130 PolarHBondContact O-N 3.41Å; M127-R130 PolarHBondContact O-N 3.4Å; I128-R130 PolarHBondContact O-N 3.46Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.04Å; R130-L133 PolarHBondContact O-N 3.04Å
131Q57.1Low59Low145 Ų145122.5 Ų122.568%0.67865%0.651SS**Hα-helixtrans-67.8-26.7178-69.7177.517.500113M127 I128 L133M127-Q131 WeakPolarHBondContact O-CG 3.27Å; M127-Q131 PolarHBondContact O-N 3.17Å; M127-Q131 VanDerWaalsContact O-N 3.16Å; I128-Q131 PolarHBondContact O-N 3.3Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 3.19Å
132R57.3Low57.4Low211 Ų211126.2 Ų126.280%0.79667%0.665SS**THydrogen-bonded Turntrans-73.4-9.9179.2-77.8-72.6-176.2160.40.2115.4I128 S129 R130I128-R132 PolarHBondContact O-N 3.48Å; S129-R132 PolarHBondContact O-N 3Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.04Å
133L52.1Low55.7Low150 Ų150128.7 Ų128.779%0.78568%0.679SS**THydrogen-bonded Turntrans-102-2.9-174.8-74168.3000115.4R130 Q131R130-L133 PolarHBondContact O-N 3.04Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 3.19Å
134C47.6Very low54.6Low107 Ų107128.6 Ų128.672%0.72368%0.683SS**  trans-112.660.1177.3-69.60000112.7V136C134-V136 PolarHBondContact O-N 2.94Å
135A43.6Very low53Low100 Ų100131 Ų13183%0.82670%0.702SS**  trans-74.984.5173.100000111.7
136V45.9Very low51.4Low125 Ų125133.1 Ų133.176%0.75872%0.718SS**PPolyproline II helixtrans-74.5133.3166.2-179.40000108.7C134C134-V136 PolarHBondContact O-N 2.94Å
137P46Very low50Low109 Ų109135.3 Ų135.371%0.70873%0.729SS**PPolyproline II helixtrans-70.1138.3-178.728-34.9000111.8
138P48.9Very low48.4Very low113 Ų113136.2 Ų136.273%0.73474%0.742SS**PPolyproline II helixtrans-73.7142.7175.430.6-34.2000111.2
139P43.8Very low46.6Very low121 Ų121138.3 Ų138.379%0.78676%0.759SS**PPolyproline II helixtrans-73.9136.717330.5-33.5000111.1F141P139-F141 PolarHBondContact O-N 3.42Å
140N44.1Very low44.9Very low153 Ų153140.2 Ų140.282%0.81877%0.772SS**PPolyproline II helixtrans-72.1121.2169.6-65.3-76.5000110
141F36.1Very low43.5Very low213 Ų213135.4 Ų135.493%0.93477%0.767SS**  trans-145.3134.2148.3-90.4-67.9000110.6P139P139-F141 PolarHBondContact O-N 3.42Å
142E37Very low42.3Very low177 Ų177137.2 Ų137.283%0.82778%0.775SS**  trans-117.1137.1-172.4171.8-176.1-146.300108.9
143M36.7Very low41Very low176 Ų176135.1 Ų135.187%0.86778%0.78SS**  trans-147145.4158.1-86-57.3-84.500109.9
144P48.8Very low40.1Very low93 Ų93132.3 Ų132.360%0.60477%0.773SS**  trans-95.1158.2-158.136.3-37.6000115.5
145V42.2Very low39.6Very low135 Ų135134.6 Ų134.682%0.81878%0.777SS**  trans-112.3115.7161.1176.60000108.6
146T40Very low39Very low127 Ų127135.6 Ų135.678%0.77977%0.772SS**  trans-95.5121.1-175.8-48.70000111.4
147I43.5Very low38.3Very low143 Ų143139.9 Ų139.973%0.73378%0.777SS**  trans-124.3126.5168.7-57.8178.3000108.1
148P39.8Very low37.5Very low123 Ų123139.7 Ų139.780%0.79978%0.778SS**  trans-76.4150.4-177.929.8-34000113.8
149V35.2Very low36.6Very low128 Ų128142 Ų14278%0.77678%0.784SS**  trans-93.1142.9-165.7162.70000114.4
150S33.8Very low37Very low109 Ų109141.5 Ų141.576%0.76278%0.781SS**  trans-165.5119134.231.60000109.8
151S33.2Very low36.3Very low85 Ų85140.2 Ų140.259%0.59478%0.778SS**  69.2129.655.177.80000113.5
152H33.4Very low36Very low183 Ų183135.2 Ų135.285%0.84777%0.769SS**  cis-152.8151-13.9-78.2-59000108.7
153N30.3Very low35.8Very low167 Ų167131.8 Ų131.889%0.89377%0.765SS**  -165.8166.5125-133.8-5.1000112.4
154S32.6Very low35.7Very low91 Ų91131.8 Ų131.864%0.63677%0.768SS**  trans-126.6156.5-17755.40000112.8
155L36.6Very low34.9Very low156 Ų156131.2 Ų131.282%0.81778%0.779SS**  166.6143.7123.7-88.2164.5000114.3
156V31.5Very low34.6Very low120 Ų120131.9 Ų131.973%0.72778%0.777SS**  trans60.598.7151.6-176.50000120.5
157Y29.9Very low35Very low216 Ų216131.2 Ų131.285%0.84778%0.776SS**  36.3116.3114-119.8-97.1000120.2
158S30.7Very low34.5Very low105 Ų105131.2 Ų131.273%0.73478%0.777SS**  153.9135.7121.6-67.10000114.1
159N30.3Very low34.3Very low160 Ų160133.6 Ų133.686%0.85678%0.782SS**  trans-87.9178.2160-65.9-30.8000109.3
160P51Low34.7Very low111 Ų111135.4 Ų135.472%0.72179%0.786SS**  cis-134.5-174.1-2.736-15.3000115.3
161V28.8Very low35.2Very low127 Ų127136 Ų13677%0.7779%0.788SS**  trans89.9137.1137.41070000121.7
162S29.7Very low35.2Very low107 Ų107139.9 Ų139.975%0.74880%0.801SS**  trans69.3140.8150.6-66.10000124
163S33.4Very low35.1Very low105 Ų105135.6 Ų135.673%0.73480%0.797SS**  trans95.8103.2143.9-157.60000120.3
164L34.5Very low35.6Very low176 Ų176136.6 Ų136.692%0.92180%0.796SS**  19117.7124.5-66.1147000117.4
165G33.3Very low36.3Very low81 Ų81138 Ų13884%0.83580%0.803SS**  trans-175.870.8173.600000115.9
166N35.4Very low36.2Very low149 Ų149135.9 Ų135.980%0.79780%0.802SS**  trans-73.2159.4152.6-114-19.2000108.4
167P47.8Very low36.5Very low114 Ų114137.8 Ų137.874%0.7481%0.807SS**  cis-138.9-17829.942.4-24.6000116.6
168N33.5Very low36.8Very low142 Ų142134.9 Ų134.976%0.75980%0.801SS**  trans-58.8141164.7-53.5-75.4000112.8
169L35.6Very low36.8Very low174 Ų174139.5 Ų139.591%0.91180%0.802SS**  trans-144.4134.1141-79.1-174.9000110.5
170L43.1Very low36.9Very low165 Ų165138.6 Ų138.686%0.86480%0.798SS**  trans-90.1158.8164.4-61.2168.6000108.3
171P43.8Very low36Very low123 Ų123138.5 Ų138.580%0.79980%0.799SS**  -150.4134.692.235.8-17000117.3
172L34.1Very low36.1Very low165 Ų165141.1 Ų141.186%0.86481%0.805SS**  37.1113.6121.5-155.181.3000121
173A30.6Very low36.5Very low93 Ų93141.5 Ų141.577%0.76981%0.808SS**  trans-164.9142.9143.600000112.8
174H41.8Very low37.3Very low188 Ų188143 Ų14387%0.8782%0.815SS**  trans-132.6138169-83.8-67.7000111.6
175P47.8Very low37.3Very low121 Ų121137.6 Ų137.679%0.78680%0.803SS**  trans-133.1165.5132.710.412.4000111.9
176S33.1Very low37.6Very low112 Ų112140.8 Ų140.878%0.78381%0.805SS**  cis-150.8-102.9-14.956.80000111.5
177L37.4Very low37.6Very low159 Ų159139.4 Ų139.483%0.83280%0.802SS**  trans-154.7170.1-171.9-75.9173.1000113.3
178Q36.6Very low36.9Very low156 Ų156142 Ų14273%0.72981%0.805SS**  trans92.9145163.2-57.7-151.260.300117.8
179R31.8Very low37.1Very low202 Ų202146 Ų14676%0.76281%0.809SS**  cis-162.1140.1-11.4159.3-172.8-66.4-130.11.5111.8
180N32.6Very low37.6Very low141 Ų141142.8 Ų142.875%0.75480%0.798SS**  trans13.9147.8158.5-63.17000125.1
181S31.4Very low37.6Very low108 Ų108140.9 Ų140.976%0.75580%0.796SS**  trans81.5153.9143.4770000118.2
182M31.7Very low37.4Very low182 Ų182141.2 Ų141.290%0.89780%0.801SS**  cis-135.3-179.215.3-73.3-176163.500114.1
183S37.5Very low37.6Very low116 Ų116138.3 Ų138.381%0.81180%0.801SS**  trans-138.2153.4169.4-51.60000111.2
184P51Low37.7Very low135 Ų135137.4 Ų137.488%0.87780%0.8SS**  -142.1178.310539.4-26.5000113
185G34.1Very low37.2Very low64 Ų64136.3 Ų136.366%0.6680%0.801SS**  cis142.5139.1-10.500000114.5
186V38.4Very low36.7Very low147 Ų147137.6 Ų137.689%0.89181%0.807SS**  trans65.2124172.5-135.90000115
187T35.3Very low36.7Very low120 Ų120136.3 Ų136.374%0.73681%0.811SS**  cis-134.5-166.140.158.20000111.4
188H33.8Very low36.3Very low170 Ų170131.6 Ų131.679%0.78780%0.801SS**  cis-146.6-100.25.5-149.6-24.3000116.1
189R37.8Very low36.4Very low226 Ų226131.9 Ų131.985%0.85381%0.807SS**  trans-173.1168.7-168.3-117.1-167.1160-166.3-4.2110.2
190P46.2Very low36.7Very low106 Ų106130.7 Ų130.769%0.68881%0.812SS**  cis-131173.4-25.240.5-26.4000113.6
191P42.5Very low36.7Very low125 Ų125127.9 Ų127.981%0.81282%0.816SS**  trans-128.8152155.838.2-26.9000114.4
192S40.6Very low36.8Very low129 Ų129126.4 Ų126.490%0.90282%0.818SS**  trans-161.5151.5169.7-85.10000107.4
193A38.4Very low36.8Very low104 Ų104125.4 Ų125.486%0.8682%0.816SS**  cis-145.6174.41.600000108.1
194G31.1Very low36.6Very low74 Ų74127.1 Ų127.176%0.76382%0.816SS**  cis166.2153.9-5.200000109.9
195N31.6Very low35.7Very low166 Ų166126.2 Ų126.289%0.88881%0.808SS**  trans-160.4124.8172.8-156.732.8000110.1
196T37.6Very low35.6Very low147 Ų147129.1 Ų129.190%0.90282%0.818SS**  trans-148.5145.9179.444.50000111.1
197G32.8Very low35.1Very low85 Ų85126.2 Ų126.288%0.87682%0.818SS**  trans147.985.7177.400000113
198G30.2Very low35Very low60 Ų60125.9 Ų125.962%0.61983%0.827SS**  trans-172.9147.4176.700000111.9
199L38.4Very low34.7Very low162 Ų162121.3 Ų121.385%0.84883%0.826SS**  trans67.6148.5-163.7-42.8-179.1000110.9
200M38.1Very low34.5Very low178 Ų178117 Ų11788%0.87783%0.825SS**  cis-118.8175.627.2-34.1-56.515000112.8
201G32.6Very low33.9Very low82 Ų82117.7 Ų117.785%0.84583%0.832SS**  trans-109-177.9179.700000115.1
202G34.2Very low33.6Very low77 Ų77116.7 Ų116.779%0.79484%0.835SS**  trans-179.1149.4174.700000112.1
203D30.9Very low33.1Very low160 Ų160113.8 Ų113.886%0.85683%0.825SS**  trans-102.9-179.7-167.5-67.8-78.8000115
204L34Very low32.8Very low152 Ų152117.3 Ų117.380%0.79683%0.829SS**  trans97.7112.4154.1-53.9-178.1000120.9
205T31.6Very low32.7Very low117 Ų117116.4 Ų116.472%0.71882%0.82SS**  50.613113067.30000123.4
206S31.2Very low32.8Very low125 Ų125120.3 Ų120.387%0.87482%0.824SS**  trans50123.5130.9-56.10000121.6
207G27.8Very low32.6Very low85 Ų85117 Ų11788%0.87682%0.818SS**  trans164.2131.8154.500000114.4
208A32.6Very low32.9Very low114 Ų114120.5 Ų120.594%0.94282%0.817SS**  trans-105.1142.8163.900000109.3
209G27.9Very low34.3Very low73 Ų73122.2 Ų122.275%0.75382%0.817SS**  trans-167.2155.5-178.900000111.9
210T33.8Very low34.2Very low137 Ų137125.1 Ų125.184%0.8482%0.817SS**  trans-138.1172.5-166.353.30000113.2
211S32.9Very low33.9Very low120 Ų120122.6 Ų122.684%0.83981%0.807SS**  trans74.2151.1176.483.10000115.3
212A36.2Very low33.9Very low104 Ų104123.4 Ų123.486%0.8680%0.8SS**  cis-145.9174.6-2.700000108.8
213G30.7Very low35Very low67 Ų67126 Ų12669%0.69180%0.803SS**  cis170.5163.8-2.200000111.2
214N32Very low35.5Very low178 Ų178121.3 Ų121.395%0.95279%0.792SS**  trans63.6149.8179.2-64.81.1000117.5
215G30.5Very low35.7Very low55 Ų55122 Ų12257%0.56780%0.796SS**  cis176164.2-6.300000113.2
216Y33.8Very low35.8Very low249 Ų249123.9 Ų123.998%0.97680%0.801SS**  trans68141.2-175.4-49.7-78.6000116.2
217G32.6Very low35.8Very low76 Ų76124.5 Ų124.578%0.78480%0.799SS**  cis179.3121.8-8.900000113.2
218N39.2Very low36.2Very low160 Ų160125.5 Ų125.586%0.85679%0.793SS**  trans-119.6-172.4169.7-144.819.4000106.9
219P58.5Low36.8Very low95 Ų95126.5 Ų126.562%0.61779%0.789SS**  cis-151.5-15917.643.3-19.4000117.2
220R36.6Very low37Very low223 Ų223126.4 Ų126.484%0.84279%0.788SS**  trans79.9157.8150.9-82178.8143.4152.20.2118.9
221N31.9Very low37Very low125 Ų125126.7 Ų126.767%0.66879%0.785SS**  cis-1491728-148.554.1000114.8
222S33.4Very low37.4Very low99 Ų99128.9 Ų128.969%0.69279%0.786SS**  trans-87.3-173.8174-24.80000113.2
223P57.4Low37.4Very low132 Ų132130.4 Ų130.486%0.85778%0.78SS**  cis-153.9-150.247.445.3-21.3000116.7
224G40.7Very low37.9Very low62 Ų62137.2 Ų137.264%0.63979%0.79SS**  trans-167.1-166.5170.200000113
225L38.9Very low38.1Very low167 Ų167134.8 Ų134.887%0.87478%0.778SS**  trans112.8131.4166.5-65.1175.1000120.5
226L32.8Very low39Very low156 Ų156140.2 Ų140.282%0.81779%0.792SS**  trans86.1145.8135.4-76.5168.1000125.8
227V31.8Very low39.2Very low137 Ų137135 Ų13583%0.8378%0.776SS**  trans86.8135.8155.81670000121.4
228S36.6Very low39.4Very low107 Ų107136.2 Ų136.275%0.74878%0.779SS**  trans-102166.5177.8-34.40000112
229P45.5Very low39.4Very low134 Ų134137 Ų13787%0.8778%0.775SS**  -154-172.785.841.4-22.8000115.2
230G30.9Very low38.4Very low71 Ų71137.6 Ų137.673%0.73278%0.781SS**  trans112.155.1142.100000121
231N35Very low39.3Very low144 Ų144132.9 Ų132.977%0.7778%0.78SS**  trans40.7116.1134.3-168.520.3000120.7
232L40.6Very low40.5Very low165 Ų165132.3 Ų132.386%0.86478%0.783SS**  trans-159151.5134.5-110.4177.1000112.5
233N35.9Very low41.3Very low137 Ų137133.7 Ų133.773%0.73379%0.789SS**  trans-74.5136.5-172.1-74.1-71.2000114.5
234K42.4Very low40.6Very low209 Ų209136.6 Ų136.691%0.90979%0.794SS**  -167.9149.7104-99.7159.7-173.7176.70113.1
235N35.9Very low40.4Very low128 Ų128140.9 Ų140.968%0.68480%0.802SS**  trans-98.2133.6-169.9169.845.8000112.1
236I47.7Very low40.6Very low169 Ų169141 Ų14187%0.86780%0.803SS**  trans-149.6131.6147.9-95.8147.8000106.7
237Q39.3Very low40.7Very low138 Ų138136 Ų13665%0.64579%0.789SS**  trans-113.4140.7172.9-65.2-177.531.900109.8
238A36Very low41Very low103 Ų103137.4 Ų137.485%0.85179%0.789SS**  trans-137.6108.6157.500000107.8
239K39.6Very low41.3Very low176 Ų176140.1 Ų140.177%0.76580%0.795SS**PPolyproline II helixtrans-94.2160.9176.9-70.2178.9179.2174.60110.1
240S37.8Very low41.2Very low107 Ų107140.3 Ų140.375%0.74879%0.788SS**PPolyproline II helixtrans-60.6152.3170.149.10000112.1
241P55.5Low41.7Very low125 Ų125148.5 Ų148.581%0.81280%0.797SS**PPolyproline II helixtrans-75.4137.9-17629.5-35.1000112.9
242P57.6Low42.4Very low113 Ų113151.4 Ų151.473%0.73480%0.803SS**PPolyproline II helixtrans-86164.4164.535.9-33.6000111.8
243P48.6Very low42.6Very low127 Ų127149.5 Ų149.583%0.82580%0.801SS**PPolyproline II helixtrans-73.9153.6178.731.2-36.2000113
244M44.2Very low42.6Very low193 Ų193148.2 Ų148.295%0.95179%0.794SS**PPolyproline II helixtrans-85.2131.9172-66.3-169-67.200111.6
245N35.9Very low42.6Very low153 Ų153146.4 Ų146.482%0.81879%0.793SS**  trans-141.6131.3162.1-175-35.8000107.3
246L43.7Very low43.2Very low170 Ų170150 Ų15089%0.8980%0.797SS**  trans-128.497.9-179.4-147.180.1000110.2
247G34.9Very low43.2Very low51 Ų51148.2 Ų148.253%0.52679%0.794SS.*  trans-68.6164151.300000110
248M38.2Very low43.1Very low166 Ų166149.2 Ų149.282%0.81880%0.803SS**  cis-157.8149.212.9-157.694.172.100108.7
249N41.6Very low43.8Very low164 Ų164150.8 Ų150.888%0.87780%0.795SS**  trans-155.3144.2149.5-111-48000112.2
250N44.3Very low44.2Very low137 Ų137147.7 Ų147.773%0.73379%0.793SS**  trans-83.6128.7-169.1-72.2-71.1000112.7
251R42.3Very low44.9Very low243 Ų243148.3 Ų148.392%0.91779%0.794SS**  -178.1144.9127.4-93.3144.3-161.5-147.92.9111.1
252K47.9Very low44.2Very low205 Ų205146.3 Ų146.389%0.89180%0.797SS**  trans-73.5147.3171.4-59.1176.9179.8-179.60110.4
253P44.9Very low43.4Very low126 Ų126146.8 Ų146.882%0.81880%0.803SS**  trans-109.1133.813932.5-26.8000110.6
254D36.5Very low42.9Very low110 Ų110149.9 Ų149.959%0.58880%0.803SS**  trans-87.1127.6175-176.417.2000109.1R256D254-R256 VanDerWaalsContact C-N 3.31Å; D254-R256 PolarHBondContact O-N 2.91Å; D254-R256 IonicContact OD2-CZ 3.21Å; D254-R256 IonicContact OD2-NE 2.74Å; D254-R256 PolarHBondContact OD2-NE 2.89Å; D254-R256 IonicContact OD2-NH2 2.78Å; D254-R256 PolarHBondContact OD2-NH2 3.42Å
255L41.9Very low42.3Very low171 Ų171147.7 Ų147.790%0.89580%0.795SS**  trans-83.372.1-168.3-121.5176000111.4
256R50.1Low42.4Very low202 Ų202147.4 Ų147.476%0.76280%0.799SS**  trans-88120.9179.3-62.2-170.5-174-163-0.9111.7D254 L258D254-R256 VanDerWaalsContact C-N 3.31Å; D254-R256 PolarHBondContact O-N 2.91Å; D254-R256 IonicContact OD2-CZ 3.21Å; D254-R256 IonicContact OD2-NE 2.74Å; D254-R256 PolarHBondContact OD2-NE 2.89Å; D254-R256 IonicContact OD2-NH2 2.78Å; D254-R256 PolarHBondContact OD2-NH2 3.42Å; R256-L258 PolarHBondContact O-N 2.73Å
257V46.7Very low42.2Very low133 Ų133146.8 Ų146.881%0.80679%0.794SS**  trans-65.7113171.3-179.90000109.1I259V257-I259 HydrophobicContact CG1-CG1 4.31Å
258L38.1Very low43Very low159 Ų159150.3 Ų150.383%0.83281%0.808SS**  trans-94.3102.6175.5-164.283.5000110.2R256 P260R256-L258 PolarHBondContact O-N 2.73Å; L258-P260 WeakPolarHBondContact O-CD 3.44Å
259I49.5Very low43Very low136 Ų136147 Ų14770%0.69780%0.8SS**PPolyproline II helixtrans-83.1122.9168.2-59.9170.3000108V257 P261V257-I259 HydrophobicContact CG1-CG1 4.31Å; I259-P261 WeakPolarHBondContact O-CD 3.25Å
260P48.3Very low42.7Very low110 Ų110145.6 Ų145.671%0.71480%0.797SS**PPolyproline II helixtrans-71.4121.1169.4-15.330.9000110L258L258-P260 WeakPolarHBondContact O-CD 3.44Å
261P52.9Low42.1Very low120 Ų120145.9 Ų145.978%0.77980%0.799SS**PPolyproline II helixtrans-78141.4175.732.1-33.8000110.9I259I259-P261 WeakPolarHBondContact O-CD 3.25Å
262G40.3Very low41.9Very low83 Ų83143.7 Ų143.786%0.85680%0.799SS**PPolyproline II helixtrans-75135.9172.800000112.4
263S40Very low41.3Very low123 Ų123145 Ų14586%0.8680%0.799SS**  trans-111.5139.1172.153.80000110.8
264K38.3Very low41.1Very low192 Ų192146.8 Ų146.884%0.83580%0.8SS**  trans-95.5150.5-176.8-64.3177.2-179.6176.10111.5
265N33.1Very low41Very low147 Ų147147.5 Ų147.579%0.78680%0.803SS**  trans42.1121.7150.1-578.5000119.2
266T37.9Very low40.6Very low147 Ų147146 Ų14690%0.90280%0.796SS**  -164.3147.3110.39.50000112.1
267M37.9Very low40.1Very low158 Ų158141.8 Ų141.878%0.77880%0.798SS**  trans-86164.2169.2-72.7-83.7-72.900109.9
268P51.5Low39.8Very low125 Ų125144.3 Ų144.381%0.81280%0.801SS**  -134169.7102.238-29.7000114.6
269S39.2Very low39.8Very low95 Ų95142 Ų14266%0.66480%0.798SS**  trans-98.7154.4175.7175.40000111.1
270V35.2Very low39.1Very low135 Ų135140.5 Ų140.582%0.81881%0.806SS**  -176.1147127.2142.30000111.3
271N32.5Very low38.5Very low144 Ų144144 Ų14477%0.7781%0.813SS**  trans-75.1153.6179.3-59.2-70.2000113.7
272Q37.3Very low37.7Very low197 Ų197144.3 Ų144.392%0.92182%0.818SS**  trans-147.8173.7134.1-12217080.700112.5
273R34.4Very low37.5Very low232 Ų232148.4 Ų148.488%0.87582%0.819SS**  trans-132.8177.7-155.8-165.7-179.3-175.4-135.64.8109.9
274I41.9Very low37.5Very low164 Ų164147.1 Ų147.184%0.84182%0.816SS**  trans99.1143.1172.8-56.4158.8000113
275N33.7Very low37.4Very low124 Ų124144.2 Ų144.266%0.66381%0.814SS**  cis-174.5127.7-33-179.343.2000110
276N34.6Very low38.1Very low140 Ų140142.6 Ų142.675%0.74981%0.812SS**  trans57.6155.7168.7-67.9-11.7000117.3
277S39.2Very low38.2Very low114 Ų114142 Ų14280%0.79781%0.808SS**  cis-141.2169.122.4-65.50000114.9
278Q40Very low38Very low185 Ų185140.9 Ų140.986%0.86481%0.81SS**  trans-37.8161.1163.4-67.5169.924.700116.6
279S37.8Very low37.6Very low111 Ų111139.9 Ų139.978%0.77681%0.806SS**  cis-165.81540.438.60000112.5
280A35.2Very low37.5Very low105 Ų105142.9 Ų142.987%0.86882%0.819SS**  trans-177.6162.5148.500000109.5
281Q36.6Very low37.6Very low184 Ų184141 Ų14186%0.8682%0.818SS**  trans-111.6144.8-173.3-66.4-177.9-8.700113.9
282S35.3Very low37.8Very low126 Ų126140.2 Ų140.288%0.88182%0.819SS**  trans-154.1134.7155.3-85.60000108.8
283L36Very low38.2Very low168 Ų168136.2 Ų136.288%0.8881%0.81SS**  trans-116.4116.5-176.4-78.7165.5000110.9
284A39.9Very low38.1Very low96 Ų96130.6 Ų130.679%0.79380%0.802SS**  trans-154110.5173.100000111.2
285T35.8Very low38.1Very low131 Ų131130.6 Ų130.680%0.80480%0.803SS**  trans-159.8161.7177.7460000110.3
286P48.1Very low39Very low113 Ų113130.7 Ų130.773%0.73481%0.81SS**  cis-132.9172.3-35.337.3-22.2000113.3
287V40.3Very low38.9Very low136 Ų136127.6 Ų127.682%0.82481%0.811SS**  trans-96.1135.7167.9172.70000110.4
288V34.4Very low38.8Very low134 Ų134132 Ų13281%0.81282%0.819SS**  trans-144.8141.3159.7-1750000109.8
289S41.8Very low38.5Very low104 Ų104127 Ų12773%0.72782%0.818SS**  trans-101.3157.5178.5-45.80000112.7
290V37.7Very low38.5Very low157 Ų157130.8 Ų130.895%0.95283%0.825SS**  trans-147.3163.4162-1120000111.1
291A37.1Very low38.6Very low96 Ų96129.6 Ų129.679%0.79382%0.823SS**  trans-115173.8-160.400000115.5
292T36.2Very low38.3Very low127 Ų127124 Ų12478%0.77982%0.815SS**  trans-56.6156.6174.5-80000113.6
293P46.3Very low38.5Very low114 Ų114129.4 Ų129.474%0.7482%0.817SS**  -152.3137.685.838.2-18.4000119.1
294T33.3Very low39.1Very low114 Ų114126.6 Ų126.670%0.69981%0.81SS**  trans34.6131.8138.162.40000125.5
295L41Very low38.7Very low164 Ų164127.8 Ų127.886%0.85981%0.812SS**  trans84164.5136.8-101.373.5000120
296P52.8Low38.7Very low125 Ų125126.5 Ų126.581%0.81282%0.815SS**  -131.4174.3-122.841.8-23000116.5
297G32.2Very low38.3Very low76 Ų76129.4 Ų129.478%0.78482%0.822SS**  trans-163.4151.5171.300000113.9
298Q36.8Very low37.8Very low207 Ų207128.2 Ų128.297%0.96782%0.82SS**  trans-94.8151.5175.1-61.6177.2-11.300110.7
299G34.6Very low37.8Very low80 Ų80128.7 Ų128.783%0.82582%0.823SS**  trans-178.9101.9174.900000115.1
300M37.5Very low37.3Very low189 Ų189128.5 Ų128.593%0.93182%0.818SS**  trans-50.4146.6-176.1-76.9-77.4105.800119.1
301G36.9Very low37.3Very low80 Ų80131.5 Ų131.583%0.82581%0.813SS**  trans98130.1138.100000117.6
302G31.3Very low37Very low67 Ų67129.7 Ų129.769%0.69181%0.805SS**  cis175-176.5-4.700000113.9
303Y38Very low37.1Very low239 Ų239130.9 Ų130.994%0.93781%0.812SS**  trans75.2151.4178.6-64.4-75.4000117.9
304P48.9Very low36.4Very low110 Ų110132.6 Ų132.671%0.71481%0.81SS**  trans-134.7171.4-142.242.6-26.1000115.9
305S32.3Very low36.7Very low121 Ų121137.4 Ų137.485%0.84682%0.817SS**  168.3111.7123.8-76.50000112.6
306A35.5Very low36.6Very low104 Ų104135.7 Ų135.786%0.8682%0.819SS**  trans-156.6131.7151.400000109.3
307I39.6Very low36Very low174 Ų174137.5 Ų137.589%0.89282%0.821SS**  trans-58.4146.6-173.849.1177.8000115
308S28.8Very low36.5Very low110 Ų110138.1 Ų138.177%0.76981%0.813SS**  trans-79.6146.1-176-45.40000114.5
309T34.2Very low36.9Very low145 Ų145134.1 Ų134.189%0.8981%0.808SS**  trans-133.8109.5152.5-61.80000109.1
310T31.8Very low37.7Very low99 Ų99133 Ų13361%0.60779%0.791SS**  trans-164.9142.5-179.5-22.50000104.7
311Y38.8Very low38Very low220 Ų220129.9 Ų129.986%0.86378%0.778SS**  cis-135.6172.525.3-82.6-98.3000110.7
312G30.5Very low38.4Very low59 Ų59134.3 Ų134.361%0.60878%0.782SS**  cis171.1170.5-5.300000112.4
313T37.3Very low39Very low151 Ų151135.9 Ų135.993%0.92678%0.782SS**  trans-106.5109.1173.449.40000110
314E33.2Very low39.5Very low151 Ų151128.9 Ų128.971%0.70677%0.768SS**  trans-138116.417061.5-164.5126.500109.6
315Y39.4Very low39.3Very low215 Ų215131.6 Ų131.684%0.84378%0.775SS**  trans174.784.5148-78.7-42.4000108.5L317Y315-L317 PolarHBondContact O-N 3.21Å
316S38Very low39.9Very low128 Ų128131.6 Ų131.690%0.89578%0.776SS**  trans-70.6109.8166.6-60.20000109S318S316-S318 PolarHBondContact O-N 3.16Å
317L41.3Very low40.1Very low163 Ų163129.4 Ų129.485%0.85376%0.763SS**  trans-76.3123.2174.9-69.8178.8000110.6Y315Y315-L317 PolarHBondContact O-N 3.21Å
318S42.3Very low39.8Very low88 Ų88131.5 Ų131.562%0.61577%0.766SS**  trans-73.7144.6174.6-175.90000110.9S316 A320S316-S318 PolarHBondContact O-N 3.16Å; S318-A320 PolarHBondContact O-N 3.45Å
319S45.5Very low40.1Very low124 Ų124133.9 Ų133.987%0.86777%0.77SS**THydrogen-bonded Turntrans-70.115.1-175.8-41.70000115.4
320A50.4Low40Very low56 Ų56133.7 Ų133.746%0.46377%0.769SS.*THydrogen-bonded Turntrans-100.2-40.8-169.700000114.2S318 L322 S323S318-A320 PolarHBondContact O-N 3.45Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.4Å; A320-S323 PolarHBondContact O-N 3.46Å; A320-S323 PolarHBondContact O-OG 3.35Å
321D44.4Very low40.2Very low123 Ų123133.2 Ų133.266%0.65878%0.775SS**G310 helixtrans-76.2-10.3-163.6-65.1-57000115.3S323 S324D321-S323 PolarHBondContact O-N 3.41Å; D321-S324 PolarHBondContact O-OG 3.33Å; D321-S324 VanDerWaalsContact O-OG 3.13Å
322L44.1Very low40.1Very low174 Ų174128.7 Ų128.791%0.91178%0.776SS**G310 helixtrans-72.1-2.5174.6-66.1177.6000113.9A320A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.4Å
323S45.1Very low40.2Very low99 Ų99130.8 Ų130.869%0.69279%0.787SS**G310 helixtrans-87.50.6-174.1-48.80000114.8A320 D321A320-S323 PolarHBondContact O-N 3.46Å; A320-S323 PolarHBondContact O-OG 3.35Å; D321-S323 PolarHBondContact O-N 3.41Å
324S48.7Very low40.1Very low92 Ų92132.4 Ų132.464%0.64379%0.789SS**SBendtrans-108.3-4.8-162.760.30000116.4D321D321-S324 PolarHBondContact O-OG 3.33Å; D321-S324 VanDerWaalsContact O-OG 3.13Å
325L45Very low40Very low167 Ų167133.6 Ų133.687%0.87480%0.795SS**  trans-114.549.8179.9-74.7174000113.4G327L325-G327 VanDerWaalsContact C-N 3.35Å; L325-G327 PolarHBondContact O-N 3.17Å; L325-G327 VanDerWaalsContact O-N 3.11Å
326S43.6Very low39.7Very low122 Ų122131.7 Ų131.785%0.85380%0.798SS**  trans-80.971.8171.3450000112
327G40.8Very low39.3Very low58 Ų58128.3 Ų128.360%0.59878%0.783SS**  trans-17180.6-179.100000116.8L325L325-G327 VanDerWaalsContact C-N 3.35Å; L325-G327 PolarHBondContact O-N 3.17Å; L325-G327 VanDerWaalsContact O-N 3.11Å
328F32.4Very low38.9Very low218 Ų218125.9 Ų125.996%0.95678%0.78SS**  172.6108.8127-91.2-60.9000109.8
329N35.3Very low38.5Very low159 Ų159127.6 Ų127.685%0.8579%0.787SS**  trans-87.3138.5174-83.9-69.8000110.9
330T32.7Very low38Very low141 Ų141128.4 Ų128.487%0.86579%0.786SS**  -165126.4122.118.60000113
331A35.6Very low37Very low89 Ų89129 Ų12974%0.73680%0.798SS**  trans33.110414900000120.3
332S36Very low36.3Very low126 Ų126134.7 Ų134.788%0.88181%0.81SS**  162.193107.2-70.20000111.8
333A33.8Very low35.8Very low102 Ų102133.5 Ų133.584%0.84380%0.8SS**  trans-140.4130.1170.400000110.3
334L35.3Very low35.3Very low185 Ų185136.6 Ų136.697%0.96980%0.804SS**  trans-87.4122.4176.8-66.4169.5000109.3
335H30.3Very low34.7Very low177 Ų177139.3 Ų139.382%0.81981%0.807SS**  trans-90.1108.1179.1-177.3-80.1000111.2G337H335-G337 PolarHBondContact O-N 3.01Å
336L32.7Very low34Very low174 Ų174138.7 Ų138.791%0.91180%0.799SS**  trans-83.496.3174.4-169.972.6000110.1
337G29.5Very low33.3Very low57 Ų57138.6 Ų138.659%0.58879%0.788SS**  trans-93.4140.7175.300000112.7H335H335-G337 PolarHBondContact O-N 3.01Å
338S33.2Very low32.9Very low112 Ų112143.3 Ų143.378%0.78379%0.794SS**  trans-139.9123171.6178.20000109.8
339V33.2Very low32.9Very low125 Ų125140 Ų14076%0.75879%0.786SS**  -176.1141.3119.3-87.80000111.8
340T36.4Very low32.6Very low141 Ų141140 Ų14087%0.86578%0.784SS**  trans38.3125.6148.360.70000122.2
341G30Very low33.3Very low69 Ų69139.1 Ų139.171%0.71178%0.78SS**  trans166.2105.6152.100000118.2
342W29.7Very low34.5Very low241 Ų241140.3 Ų140.391%0.91378%0.78SS**  trans49.3126.4144.5-71.587.5000123.9
343Q33.2Very low34.3Very low149 Ų149139.8 Ų139.870%0.69678%0.777SS**  82.882.3129-152.2159.54.600122.9
344Q34.8Very low34.3Very low164 Ų164139.4 Ų139.477%0.76677%0.773SS**  37.1109.1109.6-168.2-170.40.200120
345Q35.3Very low34.3Very low150 Ų150138.5 Ų138.570%0.70177%0.768SS**  168.1135.2116.5-89.4-153.3-74.300114.3
346H30.1Very low34.5Very low153 Ų153134.2 Ų134.271%0.70876%0.759SS**  trans54.7155137.6-69.1-121.4000121.2
347L29.8Very low34.5Very low121 Ų121134.3 Ų134.363%0.63475%0.754SS**  cis-169.7171.9-17.7179.360.2000107.8
348H32.4Very low34.7Very low156 Ų156139.3 Ų139.372%0.72277%0.767SS**  trans77.5152.9170.2-57.9-76.9000118.2
349N32.2Very low34.6Very low148 Ų148137.6 Ų137.679%0.79177%0.766SS**  cis-160.6165.7-40.6-128.740.3000111.3
350M29.4Very low34.6Very low161 Ų161138.2 Ų138.279%0.79377%0.766SS**  trans-66.3171.4168.1-75.2-76.3-175.600112.9
351P46.7Very low34.4Very low122 Ų122141.6 Ų141.679%0.79276%0.763SS**  cis-140.4-176.517.838.7-16.9000117.8
352P60.6Low34.5Very low114 Ų114144 Ų14474%0.7476%0.764SS**  trans-110.3174175.741.3-34.4000115.8
353S32.4Very low34.5Very low115 Ų115138.5 Ų138.580%0.80476%0.757SS**  trans-143.1124170.4-690000110
354A34Very low34.4Very low93 Ų93137.4 Ų137.477%0.76976%0.76SS**  68107.181.400000113.6
355L34.2Very low35.3Very low166 Ų166135.1 Ų135.187%0.86976%0.76SS**  81.3113.962.1-175.490.4000114.2
356S34Very low35.1Very low88 Ų88132.8 Ų132.862%0.61576%0.76SS**  trans158.3138.3136.7-77.20000116.8
357Q34.3Very low35Very low176 Ų176136 Ų13682%0.82277%0.766SS**  trans62.2164.3136.3-66177.14000121.4
358L32.9Very low35Very low162 Ų162140 Ų14085%0.84877%0.774SS**  cis-174.6137-30.2179.176.3000111
359G31.2Very low35.8Very low75 Ų75138.1 Ų138.177%0.77378%0.776SS**  trans74.8172.1158.700000118.8
360D33.2Very low35.9Very low139 Ų139137.7 Ų137.774%0.74377%0.769SS**  cis-168.7167.6-17.1-176.728.9000110.7
361R32.4Very low36Very low212 Ų212137.9 Ų137.980%0.877%0.768SS**  trans69.2149.5156.8-91.4165.8171.2-150.6-6.9120.1
362T31.4Very low35.3Very low120 Ų120137.2 Ų137.274%0.73676%0.761SS**  cis-145.5-164.4-8.3-18.50000107.5
363T30.3Very low33.7Very low125 Ų125141.6 Ų141.677%0.76776%0.763SS**  cis-152.6-162.812.9-250000110.7
364T31.2Very low33.8Very low125 Ų125142.9 Ų142.977%0.76776%0.756SS**  trans-142.9-158.4175.669.20000109.9
365P53.7Low33.6Very low117 Ų117146.2 Ų146.276%0.7676%0.756SS**  cis-95.3-155.714.143.5-39.8000112.5
366S31Very low33.7Very low101 Ų101142.8 Ų142.871%0.70675%0.752SS**  cis-162.7172.60.7-135.30000108.1
367R28Very low33.7Very low221 Ų221142 Ų14283%0.83476%0.757SS**  cis-154.2-152-4.6-148179.2-173.1-1592109.5
368Y28.7Very low33.8Very low203 Ų203145.9 Ų145.980%0.79676%0.764SS**  trans-149.1170.8-177-89.5-69.2000109.8
369P50.6Low34.1Very low118 Ų118143.5 Ų143.577%0.76676%0.761SS**  cis-143.7-161.737.646.3-25.8000114.4
370Q34.2Very low35.1Very low139 Ų139145.1 Ų145.165%0.6576%0.758SS**  cis-164.2-179.5-39.2-101-716.300110.2
371H31.3Very low35.2Very low165 Ų165144.8 Ų144.876%0.76476%0.761SS**  trans78.2152.5158-68.9-69.2000120.3
372T30.9Very low35.3Very low107 Ų107141.6 Ų141.666%0.65676%0.76SS**  -175.9156.9-56.630.60000112
373R28.3Very low35.5Very low207 Ų207141.7 Ų141.778%0.78177%0.765SS**  trans107.3129.9152.9-59.1-160.295.8175.55.6120.6
374H34Very low35.9Very low141 Ų141143.6 Ų143.665%0.65377%0.77SS**  trans42.7148130.6-65.7-96.9000122.2
375E30.3Very low36Very low163 Ų163143.9 Ų143.976%0.76278%0.777SS**  cis-171.8170.1-15.7-159.7179.5135.100110.8
376A35Very low35.2Very low95 Ų95143.6 Ų143.679%0.78578%0.777SS**  trans76.7123.5150.500000122.8
377G34.4Very low35.2Very low70 Ų70145.2 Ų145.272%0.72279%0.787SS**  130.397.9121.900000121.8
378R36.7Very low35.4Very low258 Ų258139.1 Ų139.197%0.97478%0.779SS**  trans72.8146.6146.7-54.5175.5-176.3-104.2-1.1120.3
379S39Very low35.8Very low113 Ų113134.4 Ų134.479%0.7978%0.775SS**  trans-119.5177.4165.460.30000109.9
380P52Low35.1Very low108 Ų108135 Ų13570%0.70178%0.782SS**  -157.8-171.692.643.3-23.4000117
381V36.7Very low35.3Very low133 Ų133138.4 Ų138.481%0.80679%0.791SS**  trans73123.8159.5-59.80000123.4
382D33.7Very low35.7Very low145 Ų145136.5 Ų136.578%0.77579%0.786SS**  trans-60.7154174.4-46.8-94.6000117.3
383S35.1Very low36Very low121 Ų121134.3 Ų134.385%0.84679%0.785SS**  163.8157.6108.8-780000114.7
384L38.1Very low36.6Very low166 Ų166129.7 Ų129.787%0.86978%0.784SS**  trans-108.4160.4179.6-58.8163.5000110.9
385S34.4Very low36.6Very low131 Ų131130.3 Ų130.392%0.91679%0.792SS**  178.6162.2125.3-83.50000114.4
386S37.2Very low37.1Very low110 Ų110134.1 Ų134.177%0.76980%0.8SS**  trans-129.8147.2-176.855.80000111.7
387C30.8Very low37.1Very low136 Ų136137.5 Ų137.592%0.91980%0.799SS**  trans-164.5169.2158.2-960000107.9
388S32.3Very low37.1Very low93 Ų93141.3 Ų141.365%0.6580%0.803SS**  cis159.5127.6-35.4-176.70000106.5
389S35.7Very low37.2Very low104 Ų104137.1 Ų137.173%0.72779%0.794SS**  trans40.1124.6152.160.60000121.6
390S37.3Very low37Very low130 Ų130142.5 Ų142.591%0.90980%0.797SS**  178.2-179111.757.20000112.3
391Y38.8Very low36.1Very low211 Ų211144.9 Ų144.983%0.82780%0.804SS**  trans-133.1132-169.7162.1-80.2000109.2
392D38Very low35.8Very low125 Ų125146.7 Ų146.767%0.66880%0.804SS**  -165.8161.2126.6-167.928.4000109.6
393G38.1Very low35.7Very low61 Ų61147.4 Ų147.463%0.62980%0.8SS**  trans-130.7106.4178.900000112.1
394S40.2Very low35.6Very low109 Ų109149 Ų14976%0.76279%0.794SS**  trans-93.1123.2175-48.80000111.7
395D35.6Very low35.4Very low154 Ų154146.4 Ų146.482%0.82479%0.789SS**  trans-62.6148.8169.9-77.5-63.4000112.5
396R39.7Very low36.6Very low244 Ų244145.5 Ų145.592%0.92178%0.781SS**  trans-141.994162.6-83.2-169.6165.7159.4-2.3109.3
397E35.4Very low36.5Very low166 Ų166148.2 Ų148.278%0.77679%0.785SS**  trans-77.3133.5166.5-67.1-167.4111.800110.6H399E397-H399 PolarHBondContact O-N 3.43Å
398D34.5Very low36.5Very low150 Ų150145 Ų14580%0.80277%0.774SS**  trans-68116173.1-89.7-71.1000111.1
399H39Very low36.6Very low169 Ų169148.1 Ų148.178%0.78278%0.783SS**  trans-120.3100.4161.9-84.178.9000110.2E397E397-H399 PolarHBondContact O-N 3.43Å
400R34Very low36.5Very low226 Ų226150.3 Ų150.385%0.85379%0.792SS**  trans-81.1126.8168.5-67.9179.2173.6-166.3-2.5109.6
401N34.2Very low36.3Very low159 Ų159155.3 Ų155.385%0.8579%0.791SS**  trans-158.784.9150.1-97.2-21.4000110
402E30.5Very low36.6Very low171 Ų171150.1 Ų150.180%0.79978%0.783SS**  32.8149.1126.1-126.2171.8-143.400122.8
403F30.6Very low36.3Very low160 Ų160149.6 Ų149.670%0.70279%0.789SS**  trans89.5108.6168.2-79.9-105.2000121.4
404H32.4Very low37.2Very low153 Ų153151.8 Ų151.871%0.70879%0.792SS**  trans57.698.7151.7-62.5-39.8000123.4
405S35.1Very low36.8Very low112 Ų112153.9 Ų153.978%0.78380%0.795SS**  55.7149.4105-57.30000123
406P58.5Low36.8Very low113 Ų113152.9 Ų152.973%0.73479%0.785SS**  trans-117174.7-160.942.7-31.3000115.7
407I35.4Very low36.5Very low167 Ų167150.3 Ų150.386%0.85678%0.775SS**  trans167.3145.5134.4-89.4155.9000111.7
408G30.3Very low36.3Very low67 Ų67150 Ų15069%0.69177%0.774SS**  trans138.980.9165.400000115
409L36Very low36.2Very low159 Ų159148.1 Ų148.183%0.83277%0.772SS**  59.7103.591.1-81.2162.5000116.7
410T33.6Very low36.7Very low150 Ų150146 Ų14692%0.9277%0.774SS**  -178.3-174.2116.228.40000111.2
411R33Very low36.7Very low236 Ų236140.3 Ų140.389%0.89177%0.769SS**  trans-145.5-167.2-157.6-154.8-160.4167.7-166.3-2.1111.5
412P44.9Very low37Very low102 Ų102139.8 Ų139.866%0.66277%0.771SS**  -101.3178.8-110.342.1-27.2000115.8
413S32.2Very low37.4Very low114 Ų114139.6 Ų139.680%0.79777%0.768SS**  174.6159.1119.2-146.60000111.9
414P55.3Low37.9Very low106 Ų106142.6 Ų142.669%0.68877%0.774SS**  trans-115.6173.3179.242.3-32.3000114.8
415D33Very low38Very low153 Ų153142.9 Ų142.982%0.81878%0.778SS**  trans-171.1123.6146-91.7-30.6000107.1
416E34.8Very low38.3Very low133 Ų133148.5 Ų148.562%0.62178%0.782SS**  90.4124.772.4-95.9-98.8106.600114.2
417R33.2Very low37.8Very low190 Ų190150.6 Ų150.672%0.71779%0.786SS**  trans70.8155.4164.6-59.4164.2-159.2-106.9-10.5117.4
418E31.2Very low38.2Very low161 Ų161147.6 Ų147.675%0.75278%0.78SS**  cis-146.3176.5-6.6-133.5163.395.100111.3
419S33.9Very low38.9Very low109 Ų109153.1 Ų153.176%0.76279%0.788SS**  trans-136.9147170.5-68.30000109.8
420P47.8Very low39.1Very low124 Ų124148.8 Ų148.881%0.80578%0.782SS**  -146.6152.6116.536-20.7000117.2
421S35.3Very low39.6Very low108 Ų108152.4 Ų152.476%0.75578%0.779SS**  trans-38.6138.1163.4179.40000116.6
422V40.1Very low40Very low147 Ų147145.9 Ų145.989%0.89178%0.775SS**  trans-125.2155.1152.3-177.90000109.4
423K38.8Very low40.3Very low168 Ų168150.9 Ų150.973%0.7380%0.804SS**  trans-131.2117.3-148.6173.2-176.8174.1-175.20112.9
424R40.6Very low40.7Very low222 Ų222152.7 Ų152.784%0.83880%0.804SS**  trans47.2115.2150-176.2-156-66.4-174-3.4117.5
425M34.9Very low39.9Very low160 Ų160155.2 Ų155.279%0.78881%0.81SS**  trans-136.1133.4137.7-149.6163.589.200110.9L427M425-L427 HydrophobicContact CE-CD1 3.98Å; M425-L427 HydrophobicContact CE-CD2 3.97Å; M425-L427 HydrophobicContact CE-CG 3.83Å
426R41.5Very low40.3Very low230 Ų230155.3 Ų155.387%0.86881%0.81SS**  trans-100.1133.4161-101.2-177.2164.495.1-4.5105.7
427L48.8Very low40.7Very low156 Ų156156.6 Ų156.682%0.81782%0.821SS**  trans-104.5142158.3-78.3167.5000108M425M425-L427 HydrophobicContact CE-CD1 3.98Å; M425-L427 HydrophobicContact CE-CD2 3.97Å; M425-L427 HydrophobicContact CE-CG 3.83Å
428S44Very low41.1Very low105 Ų105154.5 Ų154.573%0.73483%0.827SS**  trans-143.693-173.955.30000109.4
429E43.7Very low41.8Very low182 Ų182154.1 Ų154.185%0.8583%0.832SS**  trans-153.4139.1167.8-103.6153.8-138.700107
430G41.3Very low42.3Very low69 Ų69157.3 Ų157.371%0.71184%0.837SS**  cis126.148.4-0.900000113.2
431W42.7Very low41.9Very low226 Ų226159.8 Ų159.886%0.85684%0.84SS**  trans-124.3131.1178.4-78.183.6000111.3
432A43.1Very low42.5Very low98 Ų98164.2 Ų164.281%0.8185%0.847SS**  trans-145.6122.8171.700000108.8
433T50.5Low42.7Very low207 Ų207165.7 Ų165.7100%1.2784%0.843SS**  trans-152.80165.449.50000107.1

Retrieved 433 of 433 residues in 66.1 ms (Link to these results)