A0A096NE46_PAPAN Loading...

Ankyrin repeat domain 34B

AlphaFold DB (F6QSM6), UniProt , Accession A0A096NE46, Species PAPAN (Papio anubis, Olive baboon), Gene ANKRD34B, Length 514 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
1M32.1Very low48.6Very low240 Ų240113.2 Ų113.2100%1.18263%0.627SS**  0111.40-69.1157.2176.900105.7
2D38.2Very low51.8Low157 Ų157105.7 Ų105.784%0.8459%0.585SS**  trans-99.495.7172.6-167.532.2000105.8G4D2-G4 PolarHBondContact O-N 3.02Å
3E39.3Very low54.8Low178 Ų178103.4 Ų103.483%0.83258%0.581SS**  trans-71.4100173.4-74.8-166.3167.800107.5M5E3-M5 PolarHBondContact O-N 3.08Å
4G43.2Very low57.5Low61 Ų6196.1 Ų96.163%0.62954%0.539SS*.  trans-54.6106.2171.200000108.5D2 E6D2-G4 PolarHBondContact O-N 3.02Å; G4-E6 PolarHBondContact O-N 3.36Å
5M51.1Low59.8Low99 Ų9989.7 Ų89.749%0.48850%0.503SS..  trans-62.9100.1-168.3-175.1-176.2-130.100109.9E3 I7 K52E3-M5 PolarHBondContact O-N 3.08Å; M5-I7 VanDerWaalsContact C-N 3.26Å; M5-I7 HydrophobicContact CG-CG1 4.24Å; M5-I7 WeakPolarHBondContact O-CG1 3.14Å; M5-I7 PolarHBondContact O-N 3.19Å; M5-I7 HydrophobicContact SD-CD1 4.43Å; M5-I7 HydrophobicContact SD-CG1 4.38Å; M5-K52 PolarHBondContact SD-NZ 3.05Å
6E49.1Very low61.8Low178 Ų17889.6 Ų89.683%0.83250%0.496SS*.  trans-66.891.5173.3-69.2-159.1147.900109G4 S8 R42G4-E6 PolarHBondContact O-N 3.36Å; E6-S8 PolarHBondContact O-N 3.3Å; E6-R42 PolarHBondContact O-NH1 2.84Å
7I56.9Low63.6Low17 Ų1784.4 Ų84.49%0.08747%0.468CS..  trans-72.392163-45.9-154.6000105.1M5 S9 I15 H19 I49M5-I7 VanDerWaalsContact C-N 3.26Å; M5-I7 HydrophobicContact CG-CG1 4.24Å; M5-I7 WeakPolarHBondContact O-CG1 3.14Å; M5-I7 PolarHBondContact O-N 3.19Å; M5-I7 HydrophobicContact SD-CD1 4.43Å; M5-I7 HydrophobicContact SD-CG1 4.38Å; I7-S9 VanDerWaalsContact C-N 3.3Å; I7-S9 VanDerWaalsContact CG2-OG 3.3Å; I7-S9 WeakPolarHBondContact CG2-OG 3.42Å; I7-S9 WeakPolarHBondContact O-CB 3.35Å; I7-S9 PolarHBondContact O-N 3.25Å; I7-S9 PolarHBondContact O-OG 3.04Å; I7-I15 HydrophobicContact CG2-CG2 4.36Å; I7-H19 VanDerWaalsContact CD1-CD2 3.48Å; I7-H19 WeakPolarHBondContact CD1-CD2 3.46Å; I7-H19 WeakPolarHBondContact CD1-NE2 3.47Å; I7-I49 HydrophobicContact CD1-CD1 3.75Å
8S53.8Low65.3Low79 Ų7979.7 Ų79.755%0.55244%0.442SS*.  trans-52.3101.2165.4-172.60000107.5E6E6-S8 PolarHBondContact O-N 3.3Å
9S55.5Low66.6Low14 Ų1477.1 Ų77.110%0.09843%0.426CS..  trans-118.732.1-168.1-58.50000110I7 G11I7-S9 VanDerWaalsContact C-N 3.3Å; I7-S9 VanDerWaalsContact CG2-OG 3.3Å; I7-S9 WeakPolarHBondContact CG2-OG 3.42Å; I7-S9 WeakPolarHBondContact O-CB 3.35Å; I7-S9 PolarHBondContact O-N 3.25Å; I7-S9 PolarHBondContact O-OG 3.04Å; S9-G11 PolarHBondContact O-N 3.29Å
10E51.9Low67.8Low166 Ų16676.2 Ų76.278%0.77642%0.418SS*.SBendtrans-86.654-169.3-148.454.8-149.300111.3K16E10-K16 IonicContact OE2-NZ 3.37Å
11G63.6Low69Low56 Ų5672.7 Ų72.758%0.57740%0.399SS*.SBendtrans-178.7-67179.600000111.5S9 S13S9-G11 PolarHBondContact O-N 3.29Å; G11-S13 PolarHBondContact O-N 3.01Å
12N86.3Confident71.9Confident23 Ų2365.4 Ų65.412%0.12336%0.359CS..  trans-70.192.2-171.9-56.457.8000112.8L14 I15 K16 E38 S39N12-L14 VanDerWaalsContact C-N 3.27Å; N12-L14 PolarHBondContact O-N 2.98Å; N12-I15 HydrophobicContact CB-CB 3.64Å; N12-I15 HydrophobicContact CB-CG1 3.45Å; N12-I15 VanDerWaalsContact CB-CG1 3.45Å; N12-I15 WeakPolarHBondContact O-CB 3.47Å; N12-I15 PolarHBondContact O-N 3.12Å; N12-K16 PolarHBondContact O-N 3.4Å; N12-K16 VanDerWaalsContact O-N 3.13Å; N12-E38 WeakPolarHBondContact CB-OE2 3.48Å; N12-E38 WeakPolarHBondContact ND2-CG 3.29Å; N12-E38 PolarHBondContact ND2-O 3.29Å; N12-E38 PolarHBondContact ND2-OE2 3.02Å; N12-S39 PolarHBondContact ND2-O 2.95Å
13S91.2Very high74.5Confident76 Ų7659.7 Ų59.753%0.53133%0.328SS..Hα-helixtrans-62.4-32.9-179.9-70.30000113G11 K16 A17 L29G11-S13 PolarHBondContact O-N 3.01Å; S13-K16 PolarHBondContact O-N 3.42Å; S13-A17 PolarHBondContact O-N 2.94Å; S13-A17 VanDerWaalsContact O-N 3.07Å; S13-L29 WeakPolarHBondContact O-CD1 3.41Å
14L93.3Very high77.1Confident1 Ų161.1 Ų61.11%0.00533%0.326CS..Hα-helixtrans-66.6-45.6176.2-177.662.6000111.7N12 K16 A17 V18 T26 L29 L30 A34 Y35 P46N12-L14 VanDerWaalsContact C-N 3.27Å; N12-L14 PolarHBondContact O-N 2.98Å; L14-K16 VanDerWaalsContact C-N 3.31Å; L14-K16 PolarHBondContact O-N 2.73Å; L14-A17 PolarHBondContact O-N 2.56Å; L14-V18 HydrophobicContact CD1-CG2 4.46Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.27Å; L14-T26 HydrophobicContact CD1-CG2 3.89Å; L14-L29 HydrophobicContact CD1-CB 4.15Å; L14-L30 HydrophobicContact CD1-CD2 3.99Å; L14-L30 HydrophobicContact CD1-CG 4.08Å; L14-L30 HydrophobicContact CD2-CD2 3.77Å; L14-A34 HydrophobicContact CB-CB 4.4Å; L14-A34 HydrophobicContact CD2-CB 4.29Å; L14-Y35 WeakPolarHBondContact CD2-O 3.42Å; L14-P46 HydrophobicContact CD2-CB 4.47Å; L14-P46 HydrophobicContact CD2-CG 3.78Å; L14-P46 HydrophobicContact CG-CB 4.39Å; L14-P46 HydrophobicContact CG-CG 3.99Å
15I92.1Very high79.5Confident0 Ų061.7 Ų61.70%031%0.314CS..Hα-helixtrans-55.4-46.8173.6-66.8-75.4000110.6I7 N12 A17 V18 H19 E44 P46 I49I7-I15 HydrophobicContact CG2-CG2 4.36Å; N12-I15 HydrophobicContact CB-CB 3.64Å; N12-I15 HydrophobicContact CB-CG1 3.45Å; N12-I15 VanDerWaalsContact CB-CG1 3.45Å; N12-I15 WeakPolarHBondContact O-CB 3.47Å; N12-I15 PolarHBondContact O-N 3.12Å; I15-A17 PolarHBondContact O-N 3Å; I15-V18 PolarHBondContact O-N 3.45Å; I15-H19 VanDerWaalsContact O-CB 3.32Å; I15-H19 WeakPolarHBondContact O-CB 3.25Å; I15-H19 PolarHBondContact O-N 3.19Å; I15-E44 WeakPolarHBondContact CD1-O 3.42Å; I15-P46 HydrophobicContact CD1-CB 4.3Å; I15-P46 HydrophobicContact CD1-CG 3.81Å; I15-P46 HydrophobicContact CG1-CG 4.41Å; I15-I49 HydrophobicContact CD1-CG1 3.74Å; I15-I49 HydrophobicContact CG2-CG1 4.12Å
16K91.1Very high81.5Confident88 Ų8857 Ų5738%0.38329%0.291SS..Hα-helixtrans-63.8-38.9-179.4-156.5164.7-170.5162.90112.2E10 N12 S13 L14 Q20E10-K16 IonicContact OE2-NZ 3.37Å; N12-K16 PolarHBondContact O-N 3.4Å; N12-K16 VanDerWaalsContact O-N 3.13Å; S13-K16 PolarHBondContact O-N 3.42Å; L14-K16 VanDerWaalsContact C-N 3.31Å; L14-K16 PolarHBondContact O-N 2.73Å; K16-Q20 WeakPolarHBondContact O-CG 3.48Å; K16-Q20 PolarHBondContact O-N 2.81Å
17A92.6Very high83.7Confident2 Ų254.5 Ų54.52%0.01727%0.274CS..Hα-helixtrans-67.7-40.4175.600000113.2S13 L14 I15 S21 R22 L25 L29S13-A17 PolarHBondContact O-N 2.94Å; S13-A17 VanDerWaalsContact O-N 3.07Å; L14-A17 PolarHBondContact O-N 2.56Å; I15-A17 PolarHBondContact O-N 3Å; A17-S21 PolarHBondContact O-N 3.03Å; A17-R22 PolarHBondContact O-N 3.32Å; A17-L25 HydrophobicContact CB-CB 4.18Å; A17-L25 HydrophobicContact CB-CD2 3.69Å; A17-L25 HydrophobicContact CB-CG 3.69Å; A17-L29 HydrophobicContact CB-CD1 3.72Å
18V93.4Very high85.6Confident0 Ų058.2 Ų58.20%029%0.293CS..Hα-helixtrans-73.3-36.4177.71730000111.8L14 I15 Q20 S21 T26 P46 I49 A50 M66 L70L14-V18 HydrophobicContact CD1-CG2 4.46Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.27Å; I15-V18 PolarHBondContact O-N 3.45Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 2.96Å; V18-S21 WeakPolarHBondContact O-CA 3.46Å; V18-S21 PolarHBondContact O-N 3.49Å; V18-T26 HydrophobicContact CG2-CG2 3.53Å; V18-P46 WeakPolarHBondContact CG1-O 3.31Å; V18-P46 HydrophobicContact CG2-CB 4.2Å; V18-I49 HydrophobicContact CG1-CB 4.47Å; V18-I49 HydrophobicContact CG1-CG2 4.33Å; V18-A50 HydrophobicContact CG1-CB 3.72Å; V18-M66 HydrophobicContact CG1-CG 4.1Å; V18-M66 HydrophobicContact CG1-SD 4.47Å; V18-M66 HydrophobicContact CG2-SD 4.23Å; V18-L70 HydrophobicContact CG1-CD1 4.03Å; V18-L70 HydrophobicContact CG2-CD1 4.33Å; V18-L70 HydrophobicContact CG2-CD2 4.21Å
19H91.5Very high87.5Confident30 Ų3056.6 Ų56.614%0.13928%0.278CS..Hα-helixtrans-60-40174.5-170.4-124.4000112I7 I15 S21 I49 T53 H55I7-H19 VanDerWaalsContact CD1-CD2 3.48Å; I7-H19 WeakPolarHBondContact CD1-CD2 3.46Å; I7-H19 WeakPolarHBondContact CD1-NE2 3.47Å; I15-H19 VanDerWaalsContact O-CB 3.32Å; I15-H19 WeakPolarHBondContact O-CB 3.25Å; I15-H19 PolarHBondContact O-N 3.19Å; H19-S21 PolarHBondContact O-N 3.42Å; H19-I49 HydrophobicContact CB-CG2 3.77Å; H19-T53 WeakPolarHBondContact O-CB 3.4Å; H19-T53 PolarHBondContact O-OG1 3.43Å; H19-H55 AromaticContact CE1-CD2 3.37Å; H19-H55 PolarHBondContact CE1-CD2 3.11Å; H19-H55 AromaticContact CE1-NE2 3.08Å; H19-H55 PolarHBondContact CE1-NE2 3.4Å; H19-H55 AromaticContact ND1-CD2 3.71Å; H19-H55 AromaticContact ND1-NE2 3.65Å; H19-H55 AromaticContact NE2-CD2 3.62Å; H19-H55 AromaticContact NE2-NE2 3.69Å; H19-H55 PolarHBondContact O-CD2 3.45Å
20Q90.7Very high89.3Confident59 Ų5957.2 Ų57.228%0.27628%0.28SS..THydrogen-bonded Turntrans-78.13.9173.1-64.1177-1.600113.4K16 V18 R22K16-Q20 WeakPolarHBondContact O-CG 3.48Å; K16-Q20 PolarHBondContact O-N 2.81Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 2.96Å; Q20-R22 HydrophobicContact CB-CG 3.85Å; Q20-R22 WeakPolarHBondContact O-CG 3.5Å; Q20-R22 PolarHBondContact O-N 3.5Å; Q20-R22 VanDerWaalsContact O-N 3.11Å; Q20-R22 VanDerWaalsContact OE1-CZ 3.23Å
21S91.5Very high91.3Very high3 Ų354.6 Ų54.62%0.02127%0.268CS..THydrogen-bonded Turntrans55.925.4-178-60.20000114.3A17 V18 H19 L23 V61A17-S21 PolarHBondContact O-N 3.03Å; V18-S21 WeakPolarHBondContact O-CA 3.46Å; V18-S21 PolarHBondContact O-N 3.49Å; H19-S21 PolarHBondContact O-N 3.42Å; S21-L23 PolarHBondContact O-N 2.91Å; S21-L23 VanDerWaalsContact O-N 3.13Å; S21-V61 PolarHBondContact O-N 3.11Å
22R92.8Very high92.7Very high86 Ų8655.2 Ų55.233%0.32527%0.274SS..  trans-86.882.4-173.5-68.4-177.6-178.2-171.5-0.4111.3A17 Q20 R24 L25 T26 D57A17-R22 PolarHBondContact O-N 3.32Å; Q20-R22 HydrophobicContact CB-CG 3.85Å; Q20-R22 WeakPolarHBondContact O-CG 3.5Å; Q20-R22 PolarHBondContact O-N 3.5Å; Q20-R22 VanDerWaalsContact O-N 3.11Å; Q20-R22 VanDerWaalsContact OE1-CZ 3.23Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.09Å; R22-L25 HydrophobicContact CB-CB 3.99Å; R22-L25 PolarHBondContact O-N 2.81Å; R22-T26 PolarHBondContact O-N 3.02Å; R22-T26 PolarHBondContact O-OG1 2.82Å; R22-D57 IonicContact NH2-OD2 3.92Å
23L93.3Very high92.9Very high37 Ų3757.2 Ų57.219%0.19430%0.301CS..Hα-helixtrans-55.7-40.2-176-168.7155.3000113.1S21 L25 T26 R27 V61 K65 M66 Y69S21-L23 PolarHBondContact O-N 2.91Å; S21-L23 VanDerWaalsContact O-N 3.13Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 2.87Å; L23-T26 PolarHBondContact O-N 2.97Å; L23-R27 WeakPolarHBondContact O-CB 3.19Å; L23-R27 PolarHBondContact O-N 3.39Å; L23-V61 HydrophobicContact CB-CB 4.2Å; L23-V61 HydrophobicContact CB-CG2 3.71Å; L23-V61 HydrophobicContact CD1-CB 4.48Å; L23-V61 HydrophobicContact CD1-CG1 3.96Å; L23-V61 HydrophobicContact CD1-CG2 4.37Å; L23-K65 HydrophobicContact CD1-CG 4.18Å; L23-M66 HydrophobicContact CB-CE 4.21Å; L23-Y69 HydrophobicContact CD1-CG 4.45Å; L23-Y69 HydrophobicContact CG-CD1 4.19Å; L23-Y69 HydrophobicContact CG-CG 4.43Å
24R93.8Very high93Very high208 Ų20855.1 Ų55.179%0.78529%0.288SS*.Hα-helixtrans-63.2-38.1177.1-174.4177179.5-178.90.1112.9R22 L28R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.09Å; R24-L28 HydrophobicContact CG-CD1 4.44Å; R24-L28 WeakPolarHBondContact O-CG 3.3Å; R24-L28 PolarHBondContact O-N 3.48Å; R24-L28 VanDerWaalsContact O-N 3.15Å
25L93.6Very high92.9Very high74 Ų7462.3 Ų62.339%0.38732%0.316SS..Hα-helixtrans-73.7-42.6177.3-178.960.9000110.9A17 R22 L23 R27 L28 L29A17-L25 HydrophobicContact CB-CB 4.18Å; A17-L25 HydrophobicContact CB-CD2 3.69Å; A17-L25 HydrophobicContact CB-CG 3.69Å; R22-L25 HydrophobicContact CB-CB 3.99Å; R22-L25 PolarHBondContact O-N 2.81Å; L23-L25 VanDerWaalsContact C-N 3.35Å; L23-L25 PolarHBondContact O-N 2.87Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 2.91Å; L25-L28 PolarHBondContact O-N 3.25Å; L25-L29 HydrophobicContact CD1-CD1 4.43Å; L25-L29 HydrophobicContact CD1-CG 4.48Å; L25-L29 HydrophobicContact CG-CD1 4.17Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.81Å
26T94.4Very high92.9Very high0 Ų063.3 Ų63.30%032%0.321CS..Hα-helixtrans-55.2-47.7174.1-540000110.7L14 V18 R22 L23 L29 L30 M66 Y69 L70L14-T26 HydrophobicContact CD1-CG2 3.89Å; V18-T26 HydrophobicContact CG2-CG2 3.53Å; R22-T26 PolarHBondContact O-N 3.02Å; R22-T26 PolarHBondContact O-OG1 2.82Å; L23-T26 PolarHBondContact O-N 2.97Å; T26-L29 PolarHBondContact O-N 2.99Å; T26-L30 HydrophobicContact CG2-CD1 4.32Å; T26-L30 WeakPolarHBondContact O-CG 3.38Å; T26-L30 PolarHBondContact O-N 3Å; T26-M66 HydrophobicContact CG2-SD 4.12Å; T26-M66 WeakPolarHBondContact OG1-CE 3.38Å; T26-Y69 HydrophobicContact CG2-CD1 4.43Å; T26-Y69 HydrophobicContact CG2-CE1 4.27Å; T26-L70 HydrophobicContact CG2-CD2 4.02Å
27R94.6Very high93Very high125 Ų12559.8 Ų59.847%0.47231%0.306SS..Hα-helixtrans-58.3-50.6175.5171.9168.8176.7166.68.3112.5L23 L25 L29 L30 E31 Y69L23-R27 WeakPolarHBondContact O-CB 3.19Å; L23-R27 PolarHBondContact O-N 3.39Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 2.91Å; R27-L29 PolarHBondContact O-N 3.33Å; R27-L30 PolarHBondContact O-N 3.19Å; R27-E31 HydrophobicContact CG-CG 4.22Å; R27-E31 WeakPolarHBondContact CG-OE2 3.42Å; R27-E31 IonicContact CZ-OE1 3.3Å; R27-E31 VanDerWaalsContact NE-CD 3.31Å; R27-E31 IonicContact NE-OE1 2.66Å; R27-E31 PolarHBondContact NE-OE1 3.3Å; R27-E31 IonicContact NE-OE2 3.46Å; R27-E31 PolarHBondContact NE-OE2 3.36Å; R27-E31 IonicContact NH2-OE1 3.44Å; R27-E31 PolarHBondContact NH2-OE1 3.07Å; R27-E31 WeakPolarHBondContact O-CB 3.34Å; R27-E31 WeakPolarHBondContact O-CG 3.43Å; R27-E31 PolarHBondContact O-N 2.92Å; R27-Y69 WeakPolarHBondContact CA-OH 3.32Å; R27-Y69 HydrophobicContact CB-CE1 4.05Å; R27-Y69 WeakPolarHBondContact CB-OH 3.49Å; R27-Y69 WeakPolarHBondContact CG-OH 3.46Å
28L95.7Very high92.9Very high96 Ų9663.3 Ų63.350%0.50332%0.322SS..Hα-helixtrans-61.9-31.8179.7-73.5169.2000112.9R24 L25 G32R24-L28 HydrophobicContact CG-CD1 4.44Å; R24-L28 WeakPolarHBondContact O-CG 3.3Å; R24-L28 PolarHBondContact O-N 3.48Å; R24-L28 VanDerWaalsContact O-N 3.15Å; L25-L28 PolarHBondContact O-N 3.25Å; L28-G32 PolarHBondContact O-N 2.77Å
29L94.5Very high92.8Very high45 Ų4566.2 Ų66.224%0.23634%0.343CS..Hα-helixtrans-72.3-42.6175.6-69.4169.2000111.8S13 L14 A17 L25 T26 R27 G32 G33 A34S13-L29 WeakPolarHBondContact O-CD1 3.41Å; L14-L29 HydrophobicContact CD1-CB 4.15Å; A17-L29 HydrophobicContact CB-CD1 3.72Å; L25-L29 HydrophobicContact CD1-CD1 4.43Å; L25-L29 HydrophobicContact CD1-CG 4.48Å; L25-L29 HydrophobicContact CG-CD1 4.17Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.81Å; T26-L29 PolarHBondContact O-N 2.99Å; R27-L29 PolarHBondContact O-N 3.33Å; L29-G32 CarbonylContact O-C 3.41Å; L29-G32 WeakPolarHBondContact O-CA 3.12Å; L29-G32 PolarHBondContact O-N 3.31Å; L29-G33 PolarHBondContact O-N 3.01Å; L29-A34 HydrophobicContact CB-CB 4.09Å; L29-A34 WeakPolarHBondContact O-CB 3.45Å; L29-A34 PolarHBondContact O-N 3.47Å
30L94Very high92.8Very high26 Ų2665.3 Ų65.314%0.13634%0.339CS..Hα-helixtrans-67.2-42.8175.5-65.3175.5000112.1L14 T26 R27 G32 G33 A34 I36 Y69 N73L14-L30 HydrophobicContact CD1-CD2 3.99Å; L14-L30 HydrophobicContact CD1-CG 4.08Å; L14-L30 HydrophobicContact CD2-CD2 3.77Å; T26-L30 HydrophobicContact CG2-CD1 4.32Å; T26-L30 WeakPolarHBondContact O-CG 3.38Å; T26-L30 PolarHBondContact O-N 3Å; R27-L30 PolarHBondContact O-N 3.19Å; L30-G32 PolarHBondContact O-N 3.11Å; L30-G33 PolarHBondContact O-N 2.84Å; L30-A34 WeakPolarHBondContact CD2-O 3.37Å; L30-I36 HydrophobicContact CD1-CD1 3.81Å; L30-I36 HydrophobicContact CD2-CB 4.22Å; L30-I36 HydrophobicContact CD2-CD1 3.68Å; L30-I36 HydrophobicContact CG-CD1 4.42Å; L30-Y69 HydrophobicContact CD1-CE1 3.96Å; L30-N73 HydrophobicContact CD1-CB 4.23Å
31E93.6Very high92.8Very high112 Ų11268.1 Ų68.152%0.52336%0.356SS..Hα-helixtrans-62.8-28171.7-71175.4151.500111.9R27 G33R27-E31 HydrophobicContact CG-CG 4.22Å; R27-E31 WeakPolarHBondContact CG-OE2 3.42Å; R27-E31 IonicContact CZ-OE1 3.3Å; R27-E31 VanDerWaalsContact NE-CD 3.31Å; R27-E31 IonicContact NE-OE1 2.66Å; R27-E31 PolarHBondContact NE-OE1 3.3Å; R27-E31 IonicContact NE-OE2 3.46Å; R27-E31 PolarHBondContact NE-OE2 3.36Å; R27-E31 IonicContact NH2-OE1 3.44Å; R27-E31 PolarHBondContact NH2-OE1 3.07Å; R27-E31 WeakPolarHBondContact O-CB 3.34Å; R27-E31 WeakPolarHBondContact O-CG 3.43Å; R27-E31 PolarHBondContact O-N 2.92Å; E31-G33 VanDerWaalsContact C-N 3.29Å
32G92.7Very high92.7Very high68 Ų6871.7 Ų71.770%0.70137%0.369SS*.THydrogen-bonded Turntrans-81.15.2170.800000115.4L28 L29 L30L28-G32 PolarHBondContact O-N 2.77Å; L29-G32 CarbonylContact O-C 3.41Å; L29-G32 WeakPolarHBondContact O-CA 3.12Å; L29-G32 PolarHBondContact O-N 3.31Å; L30-G32 PolarHBondContact O-N 3.11Å
33G90.5Very high92.6Very high66 Ų6668.1 Ų68.168%0.6836%0.359SS*.THydrogen-bonded Turntrans86.215176.300000115.9L29 L30 E31L29-G33 PolarHBondContact O-N 3.01Å; L30-G33 PolarHBondContact O-N 2.84Å; E31-G33 VanDerWaalsContact C-N 3.29Å
34A92.4Very high92.5Very high32 Ų3266.7 Ų66.726%0.26435%0.351SS..  trans-62.8135.6171.300000110.9L14 L29 L30 I36L14-A34 HydrophobicContact CB-CB 4.4Å; L14-A34 HydrophobicContact CD2-CB 4.29Å; L29-A34 HydrophobicContact CB-CB 4.09Å; L29-A34 WeakPolarHBondContact O-CB 3.45Å; L29-A34 PolarHBondContact O-N 3.47Å; L30-A34 WeakPolarHBondContact CD2-O 3.37Å; A34-I36 PolarHBondContact O-N 3.47Å
35Y92.1Very high92.5Very high152 Ų15256.9 Ų56.960%0.59631%0.314SS*.  trans-75.1120.1-175-176.7-118000111.5L14 N37 E38L14-Y35 WeakPolarHBondContact CD2-O 3.42Å; Y35-N37 HydrophobicContact CD1-CB 4.23Å; Y35-N37 HydrophobicContact CE1-CB 3.61Å; Y35-N37 PolarHBondContact O-N 3.34Å; Y35-N37 VanDerWaalsContact O-N 3.1Å; Y35-E38 HydrophobicContact CD1-CB 4.28Å; Y35-E38 WeakPolarHBondContact O-CB 3.41Å; Y35-E38 PolarHBondContact O-N 2.97Å
36I92.6Very high92.6Very high21 Ų2153.4 Ų53.411%0.10830%0.296CS..THydrogen-bonded Turntrans-57.8-29.1-172.1-171.963.6000114.2L30 A34 P46 L70 N73 A75L30-I36 HydrophobicContact CD1-CD1 3.81Å; L30-I36 HydrophobicContact CD2-CB 4.22Å; L30-I36 HydrophobicContact CD2-CD1 3.68Å; L30-I36 HydrophobicContact CG-CD1 4.42Å; A34-I36 PolarHBondContact O-N 3.47Å; I36-P46 WeakPolarHBondContact O-CD 3.43Å; I36-P46 WeakPolarHBondContact O-CG 3.36Å; I36-L70 HydrophobicContact CD1-CB 4.45Å; I36-L70 HydrophobicContact CD1-CD2 3.64Å; I36-N73 HydrophobicContact CD1-CB 4.17Å; I36-A75 HydrophobicContact CD1-CB 4.13Å; I36-A75 HydrophobicContact CG1-CB 3.61Å
37N93Very high92.6Very high13 Ų1353.4 Ų53.47%0.0730%0.296CS..THydrogen-bonded Turntrans-103.116.2-179.4-66.2-32.2000113.2Y35 S39 D76 I79Y35-N37 HydrophobicContact CD1-CB 4.23Å; Y35-N37 HydrophobicContact CE1-CB 3.61Å; Y35-N37 PolarHBondContact O-N 3.34Å; Y35-N37 VanDerWaalsContact O-N 3.1Å; N37-S39 PolarHBondContact O-N 3.27Å; N37-D76 PolarHBondContact ND2-OD2 3.31Å; N37-D76 PolarHBondContact OD1-N 3.04Å; N37-I79 HydrophobicContact CB-CD1 3.68Å
38E90.8Very high92.6Very high76 Ų7647.5 Ų47.536%0.35527%0.274SS..  trans-62.1106.8-179.6-169.2-163.1-131.900111.5N12 Y35 P46N12-E38 WeakPolarHBondContact CB-OE2 3.48Å; N12-E38 WeakPolarHBondContact ND2-CG 3.29Å; N12-E38 PolarHBondContact ND2-O 3.29Å; N12-E38 PolarHBondContact ND2-OE2 3.02Å; Y35-E38 HydrophobicContact CD1-CB 4.28Å; Y35-E38 WeakPolarHBondContact O-CB 3.41Å; Y35-E38 PolarHBondContact O-N 2.97Å; E38-P46 WeakPolarHBondContact O-CD 3.41Å
39S91.3Very high92.5Very high62 Ų6243 Ų4343%0.43425%0.25SS..  trans-84.1146.5-178.953.80000112.9N12 N37 E44N12-S39 PolarHBondContact ND2-O 2.95Å; N37-S39 PolarHBondContact O-N 3.27Å; S39-E44 WeakPolarHBondContact CA-O 3.26Å
40N90.7Very high92.5Very high10 Ų1040.9 Ų40.95%0.05324%0.239CC..  trans-81.4-176.3175.271.98.2000112.5R42 G43 E44N40-R42 PolarHBondContact O-N 2.78Å; N40-R42 WeakPolarHBondContact OD1-CA 3.07Å; N40-R42 WeakPolarHBondContact OD1-CB 3.35Å; N40-R42 PolarHBondContact OD1-N 3.11Å; N40-G43 PolarHBondContact O-N 2.96Å; N40-G43 PolarHBondContact OD1-N 2.69Å; N40-E44 PolarHBondContact N-O 3Å; N40-E44 VanDerWaalsContact N-O 3.09Å; N40-E44 PolarHBondContact ND2-OE2 3.12Å; N40-E44 WeakPolarHBondContact OD1-CB 3.38Å; N40-E44 PolarHBondContact OD1-N 3.34Å
41D90.5Very high92.4Very high118 Ų11839.6 Ų39.663%0.63123%0.233SC*.THydrogen-bonded Turntrans-57.4-14.8177-74.1-47.1000115.3K82D41-K82 WeakPolarHBondContact O-CD 3.34Å; D41-K82 VanDerWaalsContact O-CE 3.25Å; D41-K82 WeakPolarHBondContact O-CE 3.4Å; D41-K82 PolarHBondContact O-NZ 2.91Å
42R89.1Confident92.2Very high78 Ų7834.8 Ų34.829%0.29421%0.21SC..THydrogen-bonded Turntrans-98.61.7173.8-62.9-166.3-61.7-111.7-3.8113.4E6 N40 E44 K82E6-R42 PolarHBondContact O-NH1 2.84Å; N40-R42 PolarHBondContact O-N 2.78Å; N40-R42 WeakPolarHBondContact OD1-CA 3.07Å; N40-R42 WeakPolarHBondContact OD1-CB 3.35Å; N40-R42 PolarHBondContact OD1-N 3.11Å; R42-E44 VanDerWaalsContact C-N 3.28Å; R42-E44 HydrophobicContact CB-CG 3.85Å; R42-E44 IonicContact CZ-OE1 2.72Å; R42-E44 IonicContact CZ-OE2 3.6Å; R42-E44 VanDerWaalsContact NE-CD 3.29Å; R42-E44 IonicContact NE-OE1 2.67Å; R42-E44 PolarHBondContact NE-OE1 2.88Å; R42-E44 IonicContact NE-OE2 2.78Å; R42-E44 PolarHBondContact NE-OE2 2.82Å; R42-E44 IonicContact NH2-OE1 3.44Å; R42-E44 PolarHBondContact NH2-OE1 3.39Å; R42-E44 IonicContact NH2-OE2 2.65Å; R42-E44 PolarHBondContact NH2-OE2 3.23Å; R42-K82 VanDerWaalsContact O-CB 3.31Å; R42-K82 WeakPolarHBondContact O-CB 3.34Å; R42-K82 WeakPolarHBondContact O-CG 3.48Å; R42-K82 PolarHBondContact O-N 3.41Å
43G90.9Very high92Very high11 Ų1131.8 Ų31.811%0.11318%0.178CC..  trans807.2-173.500000113.6N40 T45N40-G43 PolarHBondContact O-N 2.96Å; N40-G43 PolarHBondContact OD1-N 2.69Å; G43-T45 PolarHBondContact O-N 2.73Å
44E92.4Very high91.7Very high8 Ų835.2 Ų35.24%0.03717%0.174CC..  trans-80121.6-173.8-54.5166.1159.900110.2I15 S39 N40 R42 M48 I49 K52 D81I15-E44 WeakPolarHBondContact CD1-O 3.42Å; S39-E44 WeakPolarHBondContact CA-O 3.26Å; N40-E44 PolarHBondContact N-O 3Å; N40-E44 VanDerWaalsContact N-O 3.09Å; N40-E44 PolarHBondContact ND2-OE2 3.12Å; N40-E44 WeakPolarHBondContact OD1-CB 3.38Å; N40-E44 PolarHBondContact OD1-N 3.34Å; R42-E44 VanDerWaalsContact C-N 3.28Å; R42-E44 HydrophobicContact CB-CG 3.85Å; R42-E44 IonicContact CZ-OE1 2.72Å; R42-E44 IonicContact CZ-OE2 3.6Å; R42-E44 VanDerWaalsContact NE-CD 3.29Å; R42-E44 IonicContact NE-OE1 2.67Å; R42-E44 PolarHBondContact NE-OE1 2.88Å; R42-E44 IonicContact NE-OE2 2.78Å; R42-E44 PolarHBondContact NE-OE2 2.82Å; R42-E44 IonicContact NH2-OE1 3.44Å; R42-E44 PolarHBondContact NH2-OE1 3.39Å; R42-E44 IonicContact NH2-OE2 2.65Å; R42-E44 PolarHBondContact NH2-OE2 3.23Å; E44-M48 HydrophobicContact CB-SD 4.34Å; E44-I49 HydrophobicContact CB-CD1 3.75Å; E44-I49 HydrophobicContact CB-CG1 4.29Å; E44-I49 HydrophobicContact CG-CD1 4.45Å; E44-I49 WeakPolarHBondContact OE2-CD1 3.41Å; E44-K52 IonicContact OE1-NZ 3.54Å; E44-K52 PolarHBondContact OE1-NZ 3.5Å; E44-K52 IonicContact OE2-NZ 3.88Å; E44-K52 PolarHBondContact OE2-NZ 3.06Å; E44-D81 HydrophobicContact CG-CB 4.33Å
45T94.2Very high91Very high1 Ų137.9 Ų37.91%0.00618%0.181CC..  trans-82.4162176.268.30000111.7G43 L47 M48 I49 I79G43-T45 PolarHBondContact O-N 2.73Å; T45-L47 PolarHBondContact O-N 2.99Å; T45-L47 VanDerWaalsContact O-N 3.12Å; T45-M48 HydrophobicContact CG2-CE 4.21Å; T45-M48 PolarHBondContact N-SD 3.26Å; T45-M48 WeakPolarHBondContact O-CB 3.28Å; T45-M48 PolarHBondContact O-N 3.4Å; T45-I49 WeakPolarHBondContact O-CG1 3.47Å; T45-I49 PolarHBondContact O-N 3.24Å; T45-I49 VanDerWaalsContact O-N 3.07Å; T45-I79 HydrophobicContact CG2-CB 4.02Å; T45-I79 HydrophobicContact CG2-CD1 3.98Å; T45-I79 HydrophobicContact CG2-CG2 3.59Å
46P94.3Very high90.5Very high1 Ų137 Ų371%0.00619%0.191CC..Hα-helixtrans-55.1-34.5178.5-2636.1000113.2L14 I15 V18 I36 E38 I49 A50 L70L14-P46 HydrophobicContact CD2-CB 4.47Å; L14-P46 HydrophobicContact CD2-CG 3.78Å; L14-P46 HydrophobicContact CG-CB 4.39Å; L14-P46 HydrophobicContact CG-CG 3.99Å; I15-P46 HydrophobicContact CD1-CB 4.3Å; I15-P46 HydrophobicContact CD1-CG 3.81Å; I15-P46 HydrophobicContact CG1-CG 4.41Å; V18-P46 WeakPolarHBondContact CG1-O 3.31Å; V18-P46 HydrophobicContact CG2-CB 4.2Å; I36-P46 WeakPolarHBondContact O-CD 3.43Å; I36-P46 WeakPolarHBondContact O-CG 3.36Å; E38-P46 WeakPolarHBondContact O-CD 3.41Å; P46-I49 PolarHBondContact O-N 3.35Å; P46-A50 WeakPolarHBondContact O-CB 3.38Å; P46-A50 PolarHBondContact O-N 2.87Å; P46-L70 HydrophobicContact CB-CD1 4.39Å; P46-L70 HydrophobicContact CB-CD2 4.41Å
47L95.4Very high90.2Very high1 Ų139.1 Ų39.11%0.00520%0.203CC..Hα-helixtrans-65.2-38.8176.6-172.864.1000112.9T45 C51 V67 L70 L71 A75 P77 A87 L104T45-L47 PolarHBondContact O-N 2.99Å; T45-L47 VanDerWaalsContact O-N 3.12Å; L47-C51 PolarHBondContact O-N 3.41Å; L47-C51 PolarHBondContact O-SG 3.39Å; L47-V67 HydrophobicContact CD1-CG1 4Å; L47-L70 HydrophobicContact CD1-CB 4.13Å; L47-L70 HydrophobicContact CD1-CD1 4.49Å; L47-L71 HydrophobicContact CD1-CD2 3.84Å; L47-L71 HydrophobicContact CD1-CG 3.94Å; L47-L71 HydrophobicContact CD2-CD2 3.66Å; L47-L71 HydrophobicContact CG-CD2 4.43Å; L47-A75 HydrophobicContact CB-CB 4.27Å; L47-A75 HydrophobicContact CD2-CB 4.13Å; L47-P77 HydrophobicContact CD2-CB 4.06Å; L47-A87 HydrophobicContact CD2-CB 4.04Å; L47-A87 HydrophobicContact CG-CB 3.89Å; L47-L104 HydrophobicContact CD1-CD2 4.09Å; L47-L104 HydrophobicContact CD2-CD2 3.97Å; L47-L104 HydrophobicContact CG-CD2 4.11Å
48M94.6Very high89.6Confident1 Ų148.3 Ų48.31%0.00525%0.245CC..Hα-helixtrans-65.8-43.9172.3-60.4171-173.300110.9E44 T45 A50 C51 K52 I79 D81 K85 A87E44-M48 HydrophobicContact CB-SD 4.34Å; T45-M48 HydrophobicContact CG2-CE 4.21Å; T45-M48 PolarHBondContact N-SD 3.26Å; T45-M48 WeakPolarHBondContact O-CB 3.28Å; T45-M48 PolarHBondContact O-N 3.4Å; M48-A50 VanDerWaalsContact C-N 3.31Å; M48-A50 PolarHBondContact O-N 3.43Å; M48-C51 WeakPolarHBondContact O-CB 3.44Å; M48-C51 PolarHBondContact O-N 3.03Å; M48-C51 VanDerWaalsContact O-N 3.07Å; M48-K52 WeakPolarHBondContact O-CG 3.48Å; M48-K52 PolarHBondContact O-N 3.01Å; M48-I79 HydrophobicContact CE-CB 4.35Å; M48-I79 HydrophobicContact CE-CG2 4.17Å; M48-I79 WeakPolarHBondContact CE-O 3.43Å; M48-D81 HydrophobicContact CE-CB 4.38Å; M48-D81 HydrophobicContact SD-CB 3.97Å; M48-K85 WeakPolarHBondContact CE-O 3.3Å; M48-A87 HydrophobicContact CG-CB 4.03Å
49I93.3Very high89.3Confident0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-62-38.2178.8-60.8-56000111.7I7 I15 V18 H19 E44 T45 P46 C51 K52 T53I7-I49 HydrophobicContact CD1-CD1 3.75Å; I15-I49 HydrophobicContact CD1-CG1 3.74Å; I15-I49 HydrophobicContact CG2-CG1 4.12Å; V18-I49 HydrophobicContact CG1-CB 4.47Å; V18-I49 HydrophobicContact CG1-CG2 4.33Å; H19-I49 HydrophobicContact CB-CG2 3.77Å; E44-I49 HydrophobicContact CB-CD1 3.75Å; E44-I49 HydrophobicContact CB-CG1 4.29Å; E44-I49 HydrophobicContact CG-CD1 4.45Å; E44-I49 WeakPolarHBondContact OE2-CD1 3.41Å; T45-I49 WeakPolarHBondContact O-CG1 3.47Å; T45-I49 PolarHBondContact O-N 3.24Å; T45-I49 VanDerWaalsContact O-N 3.07Å; P46-I49 PolarHBondContact O-N 3.35Å; I49-C51 VanDerWaalsContact C-N 3.26Å; I49-C51 PolarHBondContact O-N 3.24Å; I49-K52 HydrophobicContact CD1-CD 4.48Å; I49-K52 PolarHBondContact O-N 3.43Å; I49-T53 WeakPolarHBondContact O-CB 3.33Å; I49-T53 WeakPolarHBondContact O-CG2 3.27Å; I49-T53 PolarHBondContact O-N 3.35Å
50A93.4Very high89.1Confident1 Ų150.3 Ų50.31%0.00825%0.251CS..Hα-helixtrans-63.6-28.8174.500000113.3V18 P46 M48 M66 V67 L70V18-A50 HydrophobicContact CG1-CB 3.72Å; P46-A50 WeakPolarHBondContact O-CB 3.38Å; P46-A50 PolarHBondContact O-N 2.87Å; M48-A50 VanDerWaalsContact C-N 3.31Å; M48-A50 PolarHBondContact O-N 3.43Å; A50-M66 HydrophobicContact CB-CG 3.92Å; A50-V67 HydrophobicContact CB-CG2 3.71Å; A50-L70 HydrophobicContact CB-CD1 3.76Å
51C92.6Very high89.1Confident0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-77.2-44.7173.2-60.50000111.3L47 M48 I49 K63 H90 A91L47-C51 PolarHBondContact O-N 3.41Å; L47-C51 PolarHBondContact O-SG 3.39Å; M48-C51 WeakPolarHBondContact O-CB 3.44Å; M48-C51 PolarHBondContact O-N 3.03Å; M48-C51 VanDerWaalsContact O-N 3.07Å; I49-C51 VanDerWaalsContact C-N 3.26Å; I49-C51 PolarHBondContact O-N 3.24Å; C51-K63 PolarHBondContact O-NZ 2.93Å; C51-H90 HydrophobicContact CB-CB 4.39Å; C51-A91 HydrophobicContact CB-CB 4.15Å
52K90.4Very high89.2Confident11 Ų1149.6 Ų49.65%0.04826%0.255CS..Hα-helixtrans-71.2-38.4-175.9-66.6173.671.9-159.30114.3M5 E44 M48 I49 K54 H90 E94M5-K52 PolarHBondContact SD-NZ 3.05Å; E44-K52 IonicContact OE1-NZ 3.54Å; E44-K52 PolarHBondContact OE1-NZ 3.5Å; E44-K52 IonicContact OE2-NZ 3.88Å; E44-K52 PolarHBondContact OE2-NZ 3.06Å; M48-K52 WeakPolarHBondContact O-CG 3.48Å; M48-K52 PolarHBondContact O-N 3.01Å; I49-K52 HydrophobicContact CD1-CD 4.48Å; I49-K52 PolarHBondContact O-N 3.43Å; K52-K54 PolarHBondContact O-N 3.03Å; K52-H90 HydrophobicContact CG-CB 3.96Å; K52-E94 HydrophobicContact CB-CG 4.42Å; K52-E94 HydrophobicContact CG-CG 4.26Å
53T87.9Confident89.2Confident4 Ų448.2 Ų48.23%0.02525%0.251CS..  trans-55.8138.6-171.1-178.60000112.7H19 I49 H55 K63H19-T53 WeakPolarHBondContact O-CB 3.4Å; H19-T53 PolarHBondContact O-OG1 3.43Å; I49-T53 WeakPolarHBondContact O-CB 3.33Å; I49-T53 WeakPolarHBondContact O-CG2 3.27Å; I49-T53 PolarHBondContact O-N 3.35Å; T53-H55 PolarHBondContact OG1-N 3.14Å; T53-K63 WeakPolarHBondContact O-CE 3.35Å; T53-K63 PolarHBondContact O-NZ 3.2Å
54K84.4Confident89.3Confident138 Ų13848.1 Ų48.160%0.625%0.248SC*.  trans-113.48.1173.7-67.3167.7-173.7159.90111.7K52 V56 E94K52-K54 PolarHBondContact O-N 3.03Å; K54-V56 PolarHBondContact O-N 2.88Å; K54-E94 WeakPolarHBondContact CE-OE2 3.36Å; K54-E94 IonicContact NZ-OE1 3.53Å; K54-E94 IonicContact NZ-OE2 3.56Å; K54-E94 PolarHBondContact NZ-OE2 3.07Å
55H78.1Confident89.4Confident89 Ų8953.7 Ų53.741%0.41227%0.273SS..  trans-71.1123.2-179.1-74.4-72.6000112.1H19 T53H19-H55 AromaticContact CE1-CD2 3.37Å; H19-H55 PolarHBondContact CE1-CD2 3.11Å; H19-H55 AromaticContact CE1-NE2 3.08Å; H19-H55 PolarHBondContact CE1-NE2 3.4Å; H19-H55 AromaticContact ND1-CD2 3.71Å; H19-H55 AromaticContact ND1-NE2 3.65Å; H19-H55 AromaticContact NE2-CD2 3.62Å; H19-H55 AromaticContact NE2-NE2 3.69Å; H19-H55 PolarHBondContact O-CD2 3.45Å; T53-H55 PolarHBondContact OG1-N 3.14Å
56V81.5Confident89.4Confident132 Ų13253.7 Ų53.780%0.827%0.273SS*.  trans-12588.2177.1-176.50000109K54K54-V56 PolarHBondContact O-N 2.88Å
57D85Confident89.4Confident66 Ų6653.7 Ų53.735%0.35327%0.272SS..  trans-93.7160.5171.4-73.1-4.6000110.5R22 Q59 S60R22-D57 IonicContact NH2-OD2 3.92Å; D57-Q59 PolarHBondContact O-N 3.2Å; D57-S60 PolarHBondContact N-OG 3.43Å; D57-S60 VanDerWaalsContact N-OG 3.08Å; D57-S60 WeakPolarHBondContact O-CB 3.45Å; D57-S60 PolarHBondContact O-N 3.04Å; D57-S60 PolarHBondContact O-OG 3.18Å
58H81.8Confident89.4Confident207 Ų20758.3 Ų58.396%0.95829%0.293SS*.THydrogen-bonded Turntrans-57.5-18.7167.9-61.1-61.5000114.5
59Q83.8Confident89.5Confident147 Ų14759.9 Ų59.969%0.68730%0.299SS*.THydrogen-bonded Turntrans-107.42.3175.7-62.7-175.4-3.500113.1D57D57-Q59 PolarHBondContact O-N 3.2Å
60S87.7Confident89.5Confident33 Ų3359.9 Ų59.923%0.23130%0.299CS..PPolyproline II helixtrans-71.3146.8175.567.50000111D57D57-S60 PolarHBondContact N-OG 3.43Å; D57-S60 VanDerWaalsContact N-OG 3.08Å; D57-S60 WeakPolarHBondContact O-CB 3.45Å; D57-S60 PolarHBondContact O-N 3.04Å; D57-S60 PolarHBondContact O-OG 3.18Å
61V90.9Very high89.6Confident36 Ų3661 Ų6122%0.21831%0.305CS..PPolyproline II helixtrans-104147.3171.2174.60000109.3S21 L23 K65S21-V61 PolarHBondContact O-N 3.11Å; L23-V61 HydrophobicContact CB-CB 4.2Å; L23-V61 HydrophobicContact CB-CG2 3.71Å; L23-V61 HydrophobicContact CD1-CB 4.48Å; L23-V61 HydrophobicContact CD1-CG1 3.96Å; L23-V61 HydrophobicContact CD1-CG2 4.37Å; V61-K65 HydrophobicContact CG1-CB 3.65Å; V61-K65 HydrophobicContact CG1-CD 3.73Å; V61-K65 HydrophobicContact CG1-CG 3.63Å
62S90.9Very high89.7Confident77 Ų7766.7 Ų66.754%0.53833%0.331SS..PPolyproline II helixtrans-56143178.859.60000112.1A64 K65 M66S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.95Å; S62-K65 PolarHBondContact O-N 2.79Å; S62-M66 PolarHBondContact O-N 2.77Å
63K90.7Very high89.9Confident49 Ų4968.9 Ų68.921%0.21334%0.343CS..Hα-helixtrans-50.1-47.4-176.8-54.5-159.2-158.3-161.40111.9C51 T53 K65 M66 V67 A96 V100C51-K63 PolarHBondContact O-NZ 2.93Å; T53-K63 WeakPolarHBondContact O-CE 3.35Å; T53-K63 PolarHBondContact O-NZ 3.2Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-K65 PolarHBondContact O-N 2.72Å; K63-M66 PolarHBondContact O-N 3.23Å; K63-V67 WeakPolarHBondContact O-CB 3.31Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.2Å; K63-A96 HydrophobicContact CD-CB 4.41Å; K63-V100 HydrophobicContact CB-CG2 4.24Å
64A92.7Very high90.1Very high8 Ų875 Ų757%0.06638%0.376CS..Hα-helixtrans-58-39.1178.700000113.6S62 K68 E99 V100 L103S62-A64 VanDerWaalsContact C-N 3.27Å; S62-A64 PolarHBondContact O-N 2.95Å; A64-K68 WeakPolarHBondContact O-CB 3.44Å; A64-K68 PolarHBondContact O-N 2.85Å; A64-E99 HydrophobicContact CB-CB 4.31Å; A64-E99 HydrophobicContact CB-CG 3.88Å; A64-E99 VanDerWaalsContact CB-OE2 3.25Å; A64-E99 WeakPolarHBondContact CB-OE2 3.26Å; A64-V100 HydrophobicContact CB-CG2 3.97Å; A64-L103 HydrophobicContact CB-CD1 4.13Å; A64-L103 WeakPolarHBondContact O-CD1 3.49Å
65K93.9Very high90.6Very high126 Ų12668.8 Ų68.855%0.54835%0.35SS..Hα-helixtrans-77.1-29.7178.3-178.8171.5174.9178.50112.7L23 V61 S62 K63 Y69L23-K65 HydrophobicContact CD1-CG 4.18Å; V61-K65 HydrophobicContact CG1-CB 3.65Å; V61-K65 HydrophobicContact CG1-CD 3.73Å; V61-K65 HydrophobicContact CG1-CG 3.63Å; S62-K65 PolarHBondContact O-N 2.79Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-K65 PolarHBondContact O-N 2.72Å; K65-Y69 WeakPolarHBondContact O-CB 3.01Å; K65-Y69 PolarHBondContact O-N 2.96Å; K65-Y69 VanDerWaalsContact O-N 3.13Å
66M94.1Very high91.4Very high1 Ų168.4 Ų68.41%0.00535%0.351CS..Hα-helixtrans-69-50.5169.2-178.4628500111.3V18 L23 T26 A50 S62 K63 K68 Y69 L70V18-M66 HydrophobicContact CG1-CG 4.1Å; V18-M66 HydrophobicContact CG1-SD 4.47Å; V18-M66 HydrophobicContact CG2-SD 4.23Å; L23-M66 HydrophobicContact CB-CE 4.21Å; T26-M66 HydrophobicContact CG2-SD 4.12Å; T26-M66 WeakPolarHBondContact OG1-CE 3.38Å; A50-M66 HydrophobicContact CB-CG 3.92Å; S62-M66 PolarHBondContact O-N 2.77Å; K63-M66 PolarHBondContact O-N 3.23Å; M66-K68 PolarHBondContact O-N 3.31Å; M66-Y69 PolarHBondContact O-N 2.98Å; M66-Y69 VanDerWaalsContact O-N 3.15Å; M66-L70 HydrophobicContact CG-CD1 4.24Å; M66-L70 WeakPolarHBondContact O-CG 3.21Å; M66-L70 PolarHBondContact O-N 2.96Å; M66-L70 HydrophobicContact SD-CG 4.48Å
67V95.1Very high92Very high0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-56.1-48.9176166.90000110.6L47 A50 K63 Y69 L70 L71 V100 L104L47-V67 HydrophobicContact CD1-CG1 4Å; A50-V67 HydrophobicContact CB-CG2 3.71Å; K63-V67 WeakPolarHBondContact O-CB 3.31Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.2Å; V67-Y69 VanDerWaalsContact C-N 3.34Å; V67-Y69 PolarHBondContact O-N 2.88Å; V67-L70 PolarHBondContact O-N 2.54Å; V67-L71 HydrophobicContact CG1-CD1 3.77Å; V67-L71 HydrophobicContact CG1-CG 4.34Å; V67-L71 VanDerWaalsContact O-CG 3.3Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 2.98Å; V67-V100 HydrophobicContact CG1-CG1 4.36Å; V67-V100 HydrophobicContact CG2-CG1 4.16Å; V67-L104 HydrophobicContact CG1-CD2 4.29Å; V67-L104 HydrophobicContact CG1-CG 4.34Å
68K95.3Very high92.5Very high99 Ų9962.3 Ų62.343%0.4331%0.314SS..Hα-helixtrans-54.9-48175.3176.6170.3170.9172.20111.8A64 M66 L70 L71 E72 L103A64-K68 WeakPolarHBondContact O-CB 3.44Å; A64-K68 PolarHBondContact O-N 2.85Å; M66-K68 PolarHBondContact O-N 3.31Å; K68-L70 PolarHBondContact O-N 2.84Å; K68-L71 PolarHBondContact O-N 3.13Å; K68-E72 WeakPolarHBondContact CE-OE1 3.49Å; K68-E72 HydrophobicContact CG-CG 4.28Å; K68-E72 IonicContact NZ-OE1 3.33Å; K68-E72 WeakPolarHBondContact O-CB 3.45Å; K68-E72 VanDerWaalsContact O-CG 3.3Å; K68-E72 WeakPolarHBondContact O-CG 3.4Å; K68-E72 PolarHBondContact O-N 3.33Å; K68-L103 HydrophobicContact CB-CD1 4.12Å; K68-L103 HydrophobicContact CB-CD2 4.38Å; K68-L103 HydrophobicContact CD-CD2 4.47Å
69Y95.4Very high93.1Very high34 Ų3455.1 Ų55.113%0.13328%0.282CS..Hα-helixtrans-63.1-39.8179.4179.6-114.5000112.5L23 T26 R27 L30 K65 M66 V67 E72 N73L23-Y69 HydrophobicContact CD1-CG 4.45Å; L23-Y69 HydrophobicContact CG-CD1 4.19Å; L23-Y69 HydrophobicContact CG-CG 4.43Å; T26-Y69 HydrophobicContact CG2-CD1 4.43Å; T26-Y69 HydrophobicContact CG2-CE1 4.27Å; R27-Y69 WeakPolarHBondContact CA-OH 3.32Å; R27-Y69 HydrophobicContact CB-CE1 4.05Å; R27-Y69 WeakPolarHBondContact CB-OH 3.49Å; R27-Y69 WeakPolarHBondContact CG-OH 3.46Å; L30-Y69 HydrophobicContact CD1-CE1 3.96Å; K65-Y69 WeakPolarHBondContact O-CB 3.01Å; K65-Y69 PolarHBondContact O-N 2.96Å; K65-Y69 VanDerWaalsContact O-N 3.13Å; M66-Y69 PolarHBondContact O-N 2.98Å; M66-Y69 VanDerWaalsContact O-N 3.15Å; V67-Y69 VanDerWaalsContact C-N 3.34Å; V67-Y69 PolarHBondContact O-N 2.88Å; Y69-E72 PolarHBondContact O-N 3.22Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.4Å; Y69-N73 PolarHBondContact O-N 3.18Å; Y69-N73 PolarHBondContact O-ND2 2.97Å
70L94.8Very high93.6Very high0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-64.7-42.8175.7-66.1170.3000111.6V18 T26 I36 P46 L47 A50 M66 V67 K68 N73 A75V18-L70 HydrophobicContact CG1-CD1 4.03Å; V18-L70 HydrophobicContact CG2-CD1 4.33Å; V18-L70 HydrophobicContact CG2-CD2 4.21Å; T26-L70 HydrophobicContact CG2-CD2 4.02Å; I36-L70 HydrophobicContact CD1-CB 4.45Å; I36-L70 HydrophobicContact CD1-CD2 3.64Å; P46-L70 HydrophobicContact CB-CD1 4.39Å; P46-L70 HydrophobicContact CB-CD2 4.41Å; L47-L70 HydrophobicContact CD1-CB 4.13Å; L47-L70 HydrophobicContact CD1-CD1 4.49Å; A50-L70 HydrophobicContact CB-CD1 3.76Å; M66-L70 HydrophobicContact CG-CD1 4.24Å; M66-L70 WeakPolarHBondContact O-CG 3.21Å; M66-L70 PolarHBondContact O-N 2.96Å; M66-L70 HydrophobicContact SD-CG 4.48Å; V67-L70 PolarHBondContact O-N 2.54Å; K68-L70 PolarHBondContact O-N 2.84Å; L70-N73 CarbonylContact O-C 3.5Å; L70-N73 PolarHBondContact O-N 3.32Å; L70-N73 VanDerWaalsContact O-N 3.09Å; L70-A75 HydrophobicContact CB-CB 4.03Å; L70-A75 WeakPolarHBondContact O-CB 3.36Å; L70-A75 PolarHBondContact O-N 3.08Å; L70-A75 VanDerWaalsContact O-N 3.08Å
71L95.2Very high93.9Very high25 Ų2551 Ų5113%0.13126%0.26CS..Hα-helixtrans-65.4-37.3175.9-65.5173.4000112.4L47 V67 K68 N73 N74 L103 L104 S107L47-L71 HydrophobicContact CD1-CD2 3.84Å; L47-L71 HydrophobicContact CD1-CG 3.94Å; L47-L71 HydrophobicContact CD2-CD2 3.66Å; L47-L71 HydrophobicContact CG-CD2 4.43Å; V67-L71 HydrophobicContact CG1-CD1 3.77Å; V67-L71 HydrophobicContact CG1-CG 4.34Å; V67-L71 VanDerWaalsContact O-CG 3.3Å; V67-L71 WeakPolarHBondContact O-CG 3.46Å; V67-L71 PolarHBondContact O-N 2.98Å; K68-L71 PolarHBondContact O-N 3.13Å; L71-N73 PolarHBondContact O-N 3.48Å; L71-N74 PolarHBondContact O-N 3.12Å; L71-L103 HydrophobicContact CD1-CB 4.18Å; L71-L104 HydrophobicContact CD1-CD2 4.25Å; L71-L104 HydrophobicContact CD2-CD2 4.38Å; L71-S107 VanDerWaalsContact CD2-OG 3.28Å; L71-S107 WeakPolarHBondContact CD2-OG 3.47Å
72E94.5Very high94Very high118 Ų11856.4 Ų56.455%0.55128%0.28SS*.Hα-helixtrans-63.8-18.3172.3-74.9172.6155.200113.1K68 Y69K68-E72 WeakPolarHBondContact CE-OE1 3.49Å; K68-E72 HydrophobicContact CG-CG 4.28Å; K68-E72 IonicContact NZ-OE1 3.33Å; K68-E72 WeakPolarHBondContact O-CB 3.45Å; K68-E72 VanDerWaalsContact O-CG 3.3Å; K68-E72 WeakPolarHBondContact O-CG 3.4Å; K68-E72 PolarHBondContact O-N 3.33Å; Y69-E72 PolarHBondContact O-N 3.22Å
73N93.8Very high94.1Very high57 Ų5754.9 Ų54.931%0.30527%0.27SS..THydrogen-bonded Turntrans-101.520.6172.8-69.8-93.9000112.8L30 I36 Y69 L70 L71L30-N73 HydrophobicContact CD1-CB 4.23Å; I36-N73 HydrophobicContact CD1-CB 4.17Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.4Å; Y69-N73 PolarHBondContact O-N 3.18Å; Y69-N73 PolarHBondContact O-ND2 2.97Å; L70-N73 CarbonylContact O-C 3.5Å; L70-N73 PolarHBondContact O-N 3.32Å; L70-N73 VanDerWaalsContact O-N 3.09Å; L71-N73 PolarHBondContact O-N 3.48Å
74N92.6Very high94.2Very high134 Ų13452.6 Ų52.672%0.71726%0.26SS*.THydrogen-bonded Turntrans62.239.3179.1-45.5-73.9000114.5L71L71-N74 PolarHBondContact O-N 3.12Å
75A94.6Very high94.2Very high6 Ų654 Ų545%0.0526%0.264CS..  trans-66.9130.1166.300000111.1I36 L47 L70 P77I36-A75 HydrophobicContact CD1-CB 4.13Å; I36-A75 HydrophobicContact CG1-CB 3.61Å; L47-A75 HydrophobicContact CB-CB 4.27Å; L47-A75 HydrophobicContact CD2-CB 4.13Å; L70-A75 HydrophobicContact CB-CB 4.03Å; L70-A75 WeakPolarHBondContact O-CB 3.36Å; L70-A75 PolarHBondContact O-N 3.08Å; L70-A75 VanDerWaalsContact O-N 3.08Å; A75-P77 WeakPolarHBondContact O-CD 3.17Å
76D95Very high94.3Very high82 Ų8248.1 Ų48.144%0.43924%0.239SC..  trans-81117.3-176.5-77.1-63.9000112.2N37 N78 I79N37-D76 PolarHBondContact ND2-OD2 3.31Å; N37-D76 PolarHBondContact OD1-N 3.04Å; D76-N78 VanDerWaalsContact C-N 3.25Å; D76-N78 PolarHBondContact O-N 2.97Å; D76-I79 HydrophobicContact CB-CD1 3.77Å; D76-I79 HydrophobicContact CB-CG1 3.86Å
77P94.6Very high94.3Very high6 Ų648.1 Ų48.14%0.03924%0.239CC..THydrogen-bonded Turntrans-74.6-15-179.531.7-36.6000114L47 A75 L104 A109L47-P77 HydrophobicContact CD2-CB 4.06Å; A75-P77 WeakPolarHBondContact O-CD 3.17Å; P77-L104 HydrophobicContact CB-CD2 4.14Å; P77-A109 HydrophobicContact CB-CB 3.91Å; P77-A109 HydrophobicContact CG-CB 4.2Å
78N94.5Very high94.3Very high64 Ų6448.1 Ų48.134%0.34224%0.239SC..THydrogen-bonded Turntrans-96.6-3.1-170.8-65.5-39000114D76 G108 A109 D110 L113D76-N78 VanDerWaalsContact C-N 3.25Å; D76-N78 PolarHBondContact O-N 2.97Å; N78-G108 PolarHBondContact ND2-O 3.46Å; N78-A109 WeakPolarHBondContact OD1-CA 3.3Å; N78-D110 PolarHBondContact OD1-N 2.91Å; N78-L113 HydrophobicContact CB-CD1 4.11Å
79I94.7Very high94.2Very high56 Ų5643.4 Ų43.429%0.28722%0.219SC..  trans-62.6144.1170.5-62.6172.5000109.1N37 T45 M48 D76 T86N37-I79 HydrophobicContact CB-CD1 3.68Å; T45-I79 HydrophobicContact CG2-CB 4.02Å; T45-I79 HydrophobicContact CG2-CD1 3.98Å; T45-I79 HydrophobicContact CG2-CG2 3.59Å; M48-I79 HydrophobicContact CE-CB 4.35Å; M48-I79 HydrophobicContact CE-CG2 4.17Å; M48-I79 WeakPolarHBondContact CE-O 3.43Å; D76-I79 HydrophobicContact CB-CD1 3.77Å; D76-I79 HydrophobicContact CB-CG1 3.86Å; I79-T86 WeakPolarHBondContact O-CA 3.25Å
80Q94.8Very high94.1Very high82 Ų8242.4 Ų42.438%0.38322%0.215SC..BIsolated β-bridgetrans-111141.9176.9-67.6177.7-72.300110.8G84 K85 T86 Q114Q80-G84 WeakPolarHBondContact CG-O 3.41Å; Q80-G84 PolarHBondContact NE2-O 3.24Å; Q80-K85 WeakPolarHBondContact CA-O 3.44Å; Q80-T86 HydrophobicContact CG-CG2 3.8Å; Q80-Q114 PolarHBondContact NE2-O 3.36Å
81D93.8Very high94Very high12 Ų1242.4 Ų42.46%0.06422%0.215CC..  trans-77.8-178.4171.571.818.5000112.5E44 M48 S83 G84 K85 H90E44-D81 HydrophobicContact CG-CB 4.33Å; M48-D81 HydrophobicContact CE-CB 4.38Å; M48-D81 HydrophobicContact SD-CB 3.97Å; D81-S83 PolarHBondContact O-N 3.24Å; D81-S83 VanDerWaalsContact OD1-CA 3.28Å; D81-S83 WeakPolarHBondContact OD1-CA 3.48Å; D81-S83 WeakPolarHBondContact OD1-CB 3.34Å; D81-S83 PolarHBondContact OD1-N 3.45Å; D81-S83 PolarHBondContact OD1-OG 3.28Å; D81-S83 PolarHBondContact OD2-OG 3.11Å; D81-G84 PolarHBondContact O-N 2.97Å; D81-G84 PolarHBondContact OD1-N 3.29Å; D81-K85 PolarHBondContact N-O 3.2Å; D81-K85 PolarHBondContact OD1-N 3.34Å; D81-H90 IonicContact OD2-CD2 2.77Å; D81-H90 IonicContact OD2-CE1 2.89Å; D81-H90 PolarHBondContact OD2-CE1 3.16Å; D81-H90 IonicContact OD2-NE2 3.26Å; D81-H90 PolarHBondContact OD2-NE2 2.96Å
82K94.3Very high93.8Very high149 Ų14941.2 Ų41.265%0.64821%0.209SC*.THydrogen-bonded Turntrans-64.7-8.1179.2-71-177.5-179.8177.20114.6D41 R42 H116D41-K82 WeakPolarHBondContact O-CD 3.34Å; D41-K82 VanDerWaalsContact O-CE 3.25Å; D41-K82 WeakPolarHBondContact O-CE 3.4Å; D41-K82 PolarHBondContact O-NZ 2.91Å; R42-K82 VanDerWaalsContact O-CB 3.31Å; R42-K82 WeakPolarHBondContact O-CB 3.34Å; R42-K82 WeakPolarHBondContact O-CG 3.48Å; R42-K82 PolarHBondContact O-N 3.41Å; K82-H116 PolarHBondContact O-CE1 3.36Å; K82-H116 VanDerWaalsContact O-CE1 3.23Å; K82-H116 PolarHBondContact O-ND1 3.38Å
83S92.2Very high93.7Very high45 Ų4538.6 Ų38.632%0.31520%0.198SC..THydrogen-bonded Turntrans-100.51.8170.671.50000113.6D81 K85 D115 H116D81-S83 PolarHBondContact O-N 3.24Å; D81-S83 VanDerWaalsContact OD1-CA 3.28Å; D81-S83 WeakPolarHBondContact OD1-CA 3.48Å; D81-S83 WeakPolarHBondContact OD1-CB 3.34Å; D81-S83 PolarHBondContact OD1-N 3.45Å; D81-S83 PolarHBondContact OD1-OG 3.28Å; D81-S83 PolarHBondContact OD2-OG 3.11Å; S83-K85 WeakPolarHBondContact OG-CD 3.46Å; S83-K85 VanDerWaalsContact OG-CE 3.26Å; S83-K85 WeakPolarHBondContact OG-CE 2.76Å; S83-K85 WeakPolarHBondContact OG-CG 3.15Å; S83-D115 WeakPolarHBondContact O-CB 3.33Å; S83-H116 WeakPolarHBondContact O-CB 3.35Å; S83-H116 VanDerWaalsContact O-CG 3.32Å; S83-H116 PolarHBondContact O-N 3.07Å
84G92.6Very high93.5Very high0 Ų037.8 Ų37.80%019%0.193CC..SBendtrans85.98.2-176.700000113.8Q80 D81 D115Q80-G84 WeakPolarHBondContact CG-O 3.41Å; Q80-G84 PolarHBondContact NE2-O 3.24Å; D81-G84 PolarHBondContact O-N 2.97Å; D81-G84 PolarHBondContact OD1-N 3.29Å; G84-D115 WeakPolarHBondContact O-CA 3.38Å
85K93.6Very high93.3Very high38 Ų3836.8 Ų36.817%0.16518%0.182CC..  trans-91132.9-170.3-63.3178.6-160.4-1590112.6M48 Q80 D81 S83 M89 D115 Y124M48-K85 WeakPolarHBondContact CE-O 3.3Å; Q80-K85 WeakPolarHBondContact CA-O 3.44Å; D81-K85 PolarHBondContact N-O 3.2Å; D81-K85 PolarHBondContact OD1-N 3.34Å; S83-K85 WeakPolarHBondContact OG-CD 3.46Å; S83-K85 VanDerWaalsContact OG-CE 3.26Å; S83-K85 WeakPolarHBondContact OG-CE 2.76Å; S83-K85 WeakPolarHBondContact OG-CG 3.15Å; K85-M89 HydrophobicContact CB-CB 4.27Å; K85-M89 HydrophobicContact CB-SD 4.07Å; K85-M89 HydrophobicContact CG-SD 4.11Å; K85-D115 VanDerWaalsContact CE-OD2 3.31Å; K85-D115 WeakPolarHBondContact CE-OD2 3.41Å; K85-D115 HydrophobicContact CG-CB 3.68Å; K85-D115 IonicContact NZ-OD2 3.15Å; K85-Y124 VanDerWaalsContact CE-OH 3.26Å; K85-Y124 WeakPolarHBondContact CE-OH 3.37Å; K85-Y124 PolarHBondContact NZ-OH 3.18Å
86T94.9Very high92.9Very high2 Ų237.2 Ų37.21%0.01219%0.185CC..BIsolated β-bridgetrans-86.2167.317565.80000111.8I79 Q80 L88 M89 H90 L113I79-T86 WeakPolarHBondContact O-CA 3.25Å; Q80-T86 HydrophobicContact CG-CG2 3.8Å; T86-L88 PolarHBondContact O-N 3.46Å; T86-L88 PolarHBondContact OG1-N 2.95Å; T86-M89 HydrophobicContact CG2-CE 4.22Å; T86-M89 PolarHBondContact O-N 2.75Å; T86-M89 VanDerWaalsContact O-N 3.12Å; T86-M89 PolarHBondContact OG1-N 1.89Å; T86-H90 PolarHBondContact O-CD2 2.94Å; T86-H90 PolarHBondContact O-N 3.09Å; T86-H90 VanDerWaalsContact O-N 3.13Å; T86-L113 HydrophobicContact CG2-CB 4.11Å; T86-L113 HydrophobicContact CG2-CD1 3.7Å
87A94.7Very high92.6Very high1 Ų134.2 Ų34.21%0.00817%0.174CC..Hα-helixtrans-56.4-33.7172.900000112.5L47 M48 H90 A91 L104L47-A87 HydrophobicContact CD2-CB 4.04Å; L47-A87 HydrophobicContact CG-CB 3.89Å; M48-A87 HydrophobicContact CG-CB 4.03Å; A87-H90 PolarHBondContact O-N 3.24Å; A87-A91 WeakPolarHBondContact O-CB 3.31Å; A87-A91 PolarHBondContact O-N 2.86Å; A87-L104 HydrophobicContact CB-CD2 4.15Å
88L94.4Very high92.4Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-67-41.2176.5-168.368.1000112.3T86 A91 C92 V101 L104 L105 A109 L111 A121 L137T86-L88 PolarHBondContact O-N 3.46Å; T86-L88 PolarHBondContact OG1-N 2.95Å; L88-A91 PolarHBondContact O-N 2.97Å; L88-C92 PolarHBondContact O-N 3.46Å; L88-C92 VanDerWaalsContact O-N 3.16Å; L88-C92 PolarHBondContact O-SG 2.78Å; L88-V101 HydrophobicContact CD1-CG1 4.15Å; L88-L104 HydrophobicContact CD1-CB 3.94Å; L88-L104 HydrophobicContact CD1-CD1 4.08Å; L88-L105 HydrophobicContact CD1-CG 4.39Å; L88-L105 HydrophobicContact CD2-CD2 4.16Å; L88-A109 HydrophobicContact CB-CB 4.44Å; L88-A109 HydrophobicContact CD2-CB 4.17Å; L88-L111 HydrophobicContact CD2-CD2 3.68Å; L88-L111 HydrophobicContact CD2-CG 4.36Å; L88-A121 HydrophobicContact CB-CB 4.33Å; L88-A121 HydrophobicContact CD2-CB 3.96Å; L88-A121 HydrophobicContact CG-CB 3.83Å; L88-L137 HydrophobicContact CD1-CD2 4.46Å; L88-L137 HydrophobicContact CD2-CD2 4.31Å
89M93.6Very high92.4Very high1 Ų139.5 Ų39.51%0.00520%0.201CC..Hα-helixtrans-63.9-43.7175.6-64.2172.9-166.500111.6K85 T86 A91 C92 L93 L113 D115 A121 Y124K85-M89 HydrophobicContact CB-CB 4.27Å; K85-M89 HydrophobicContact CB-SD 4.07Å; K85-M89 HydrophobicContact CG-SD 4.11Å; T86-M89 HydrophobicContact CG2-CE 4.22Å; T86-M89 PolarHBondContact O-N 2.75Å; T86-M89 VanDerWaalsContact O-N 3.12Å; T86-M89 PolarHBondContact OG1-N 1.89Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-A91 PolarHBondContact O-N 3.45Å; M89-C92 PolarHBondContact O-N 2.96Å; M89-L93 WeakPolarHBondContact O-CB 3.25Å; M89-L93 PolarHBondContact O-N 3.22Å; M89-L113 VanDerWaalsContact CE-C 3.48Å; M89-L113 HydrophobicContact CE-CB 4.23Å; M89-L113 WeakPolarHBondContact CE-O 3.41Å; M89-D115 HydrophobicContact SD-CB 4.02Å; M89-A121 HydrophobicContact CG-CB 3.86Å; M89-Y124 HydrophobicContact CB-CD2 4.1Å; M89-Y124 HydrophobicContact CB-CE2 4.44Å; M89-Y124 HydrophobicContact CG-CD2 4.25Å
90H93Very high92.3Very high12 Ų1237 Ų376%0.05619%0.188CC..Hα-helixtrans-62.3-38.2175.1-77.2-65.2000112.4C51 K52 D81 T86 A87 C92 L93 E94C51-H90 HydrophobicContact CB-CB 4.39Å; K52-H90 HydrophobicContact CG-CB 3.96Å; D81-H90 IonicContact OD2-CD2 2.77Å; D81-H90 IonicContact OD2-CE1 2.89Å; D81-H90 PolarHBondContact OD2-CE1 3.16Å; D81-H90 IonicContact OD2-NE2 3.26Å; D81-H90 PolarHBondContact OD2-NE2 2.96Å; T86-H90 PolarHBondContact O-CD2 2.94Å; T86-H90 PolarHBondContact O-N 3.09Å; T86-H90 VanDerWaalsContact O-N 3.13Å; A87-H90 PolarHBondContact O-N 3.24Å; H90-C92 VanDerWaalsContact C-N 3.33Å; H90-C92 PolarHBondContact O-N 3.29Å; H90-L93 PolarHBondContact O-N 3.28Å; H90-E94 WeakPolarHBondContact O-CB 3.38Å; H90-E94 PolarHBondContact O-N 3.4Å
91A92.7Very high92.3Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-62.7-36.7175.200000113.2C51 A87 L88 M89 A96 V100 V101 L104C51-A91 HydrophobicContact CB-CB 4.15Å; A87-A91 WeakPolarHBondContact O-CB 3.31Å; A87-A91 PolarHBondContact O-N 2.86Å; L88-A91 PolarHBondContact O-N 2.97Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-A91 PolarHBondContact O-N 3.45Å; A91-A96 HydrophobicContact CB-CB 4.01Å; A91-A96 WeakPolarHBondContact O-CB 3.28Å; A91-A96 PolarHBondContact O-N 3.21Å; A91-V100 HydrophobicContact CB-CG1 3.99Å; A91-V101 HydrophobicContact CB-CG2 4.27Å; A91-L104 HydrophobicContact CB-CD1 3.88Å
92C91.9Very high92.3Very high0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-77.4-33.2177.2-62.10000113.4L88 M89 H90 A125 S128L88-C92 PolarHBondContact O-N 3.46Å; L88-C92 VanDerWaalsContact O-N 3.16Å; L88-C92 PolarHBondContact O-SG 2.78Å; M89-C92 PolarHBondContact O-N 2.96Å; H90-C92 VanDerWaalsContact C-N 3.33Å; H90-C92 PolarHBondContact O-N 3.29Å; C92-A125 HydrophobicContact CB-CB 4.18Å; C92-S128 WeakPolarHBondContact O-CB 3.38Å; C92-S128 PolarHBondContact O-OG 3.39Å
93L90.8Very high92.4Very high63 Ų6328.2 Ų28.233%0.3315%0.154SC..Hα-helixtrans-71.9-47.7177.5-168.8161.4000111.3M89 H90 K95 Y124M89-L93 WeakPolarHBondContact O-CB 3.25Å; M89-L93 PolarHBondContact O-N 3.22Å; H90-L93 PolarHBondContact O-N 3.28Å; L93-K95 VanDerWaalsContact C-N 3.3Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-Y124 HydrophobicContact CB-CD1 4.17Å; L93-Y124 HydrophobicContact CD1-CD1 3.91Å; L93-Y124 HydrophobicContact CD1-CE1 3.71Å; L93-Y124 HydrophobicContact CG-CD1 4.18Å; L93-Y124 HydrophobicContact CG-CE1 4.44Å
94E89.8Confident92.5Very high41 Ų4126.1 Ų26.119%0.19214%0.139CC..THydrogen-bonded Turntrans-9320.3-173.9-64.4-71.5-170.500113.8K52 K54 H90 A96K52-E94 HydrophobicContact CB-CG 4.42Å; K52-E94 HydrophobicContact CG-CG 4.26Å; K54-E94 WeakPolarHBondContact CE-OE2 3.36Å; K54-E94 IonicContact NZ-OE1 3.53Å; K54-E94 IonicContact NZ-OE2 3.56Å; K54-E94 PolarHBondContact NZ-OE2 3.07Å; H90-E94 WeakPolarHBondContact O-CB 3.38Å; H90-E94 PolarHBondContact O-N 3.4Å; E94-A96 VanDerWaalsContact C-N 3.27Å; E94-A96 PolarHBondContact O-N 2.93Å
95K88.6Confident92.5Very high113 Ų11327.5 Ų27.549%0.49115%0.146SC..THydrogen-bonded Turntrans45.547.5178.9-57.4-166.2170-124.50113L93 G97 S128 D130L93-K95 VanDerWaalsContact C-N 3.3Å; L93-K95 PolarHBondContact O-N 3.46Å; K95-G97 PolarHBondContact O-N 3.24Å; K95-G97 VanDerWaalsContact O-N 3.07Å; K95-S128 WeakPolarHBondContact CE-O 3.35Å; K95-S128 PolarHBondContact NZ-O 2.87Å; K95-D130 WeakPolarHBondContact CA-OD2 3.32Å; K95-D130 WeakPolarHBondContact CB-OD2 3.49Å; K95-D130 WeakPolarHBondContact CD-OD1 3.15Å; K95-D130 WeakPolarHBondContact CE-OD1 3.41Å; K95-D130 WeakPolarHBondContact CG-OD2 3.48Å; K95-D130 IonicContact NZ-OD1 2.75Å; K95-D130 PolarHBondContact NZ-OD1 3.44Å
96A86.5Confident92.4Very high14 Ų1433.5 Ų33.512%0.11617%0.172CC..  trans-69.1-7.6-172.700000114.1K63 A91 E94 V100K63-A96 HydrophobicContact CD-CB 4.41Å; A91-A96 HydrophobicContact CB-CB 4.01Å; A91-A96 WeakPolarHBondContact O-CB 3.28Å; A91-A96 PolarHBondContact O-N 3.21Å; E94-A96 VanDerWaalsContact C-N 3.27Å; E94-A96 PolarHBondContact O-N 2.93Å; A96-V100 HydrophobicContact CB-CB 4.13Å; A96-V100 HydrophobicContact CB-CG1 3.94Å; A96-V100 HydrophobicContact CB-CG2 4.28Å; A96-V100 VanDerWaalsContact O-CG2 3.25Å; A96-V100 WeakPolarHBondContact O-CG2 3.26Å
97G88.1Confident92.3Very high20 Ų2035.5 Ų35.521%0.20619%0.186CC..  trans98153.4173.900000113.8K95 E99 V100 V101K95-G97 PolarHBondContact O-N 3.24Å; K95-G97 VanDerWaalsContact O-N 3.07Å; G97-E99 PolarHBondContact O-N 2.67Å; G97-V100 PolarHBondContact O-N 3.32Å; G97-V101 PolarHBondContact O-N 2.85Å
98P91.4Very high92Very high57 Ų5737.5 Ų37.537%0.3721%0.207SC..Hα-helixtrans-64.3-26-176.125.6-34.4000113.1S102 E132 V136P98-S102 WeakPolarHBondContact O-CB 3.39Å; P98-S102 PolarHBondContact O-N 2.79Å; P98-E132 HydrophobicContact CG-CB 4.35Å; P98-V136 HydrophobicContact CB-CG2 4.08Å
99E93.4Very high91.9Very high124 Ų12437.6 Ų37.658%0.57921%0.207SC*.Hα-helixtrans-61.5-50.5173.9-170-174.4-179.800111.4A64 G97 V101 S102 L103A64-E99 HydrophobicContact CB-CB 4.31Å; A64-E99 HydrophobicContact CB-CG 3.88Å; A64-E99 VanDerWaalsContact CB-OE2 3.25Å; A64-E99 WeakPolarHBondContact CB-OE2 3.26Å; G97-E99 PolarHBondContact O-N 2.67Å; E99-V101 PolarHBondContact O-N 3.21Å; E99-S102 PolarHBondContact O-N 3.04Å; E99-S102 VanDerWaalsContact O-N 3.14Å; E99-S102 PolarHBondContact O-OG 3.48Å; E99-L103 HydrophobicContact CG-CD1 4.26Å; E99-L103 WeakPolarHBondContact O-CG 3.34Å; E99-L103 PolarHBondContact O-N 2.95Å
100V94.3Very high91.7Very high2 Ų239.5 Ų39.51%0.01222%0.218CC..Hα-helixtrans-58.7-46.7177.8170.90000110.9K63 A64 V67 A91 A96 G97 S102 L103 L104K63-V100 HydrophobicContact CB-CG2 4.24Å; A64-V100 HydrophobicContact CB-CG2 3.97Å; V67-V100 HydrophobicContact CG1-CG1 4.36Å; V67-V100 HydrophobicContact CG2-CG1 4.16Å; A91-V100 HydrophobicContact CB-CG1 3.99Å; A96-V100 HydrophobicContact CB-CB 4.13Å; A96-V100 HydrophobicContact CB-CG1 3.94Å; A96-V100 HydrophobicContact CB-CG2 4.28Å; A96-V100 VanDerWaalsContact O-CG2 3.25Å; A96-V100 WeakPolarHBondContact O-CG2 3.26Å; G97-V100 PolarHBondContact O-N 3.32Å; V100-S102 VanDerWaalsContact C-N 3.33Å; V100-S102 PolarHBondContact O-N 3.05Å; V100-L103 PolarHBondContact O-N 3.13Å; V100-L104 HydrophobicContact CG1-CD1 4Å; V100-L104 WeakPolarHBondContact O-CG 3.22Å; V100-L104 PolarHBondContact O-N 2.97Å
101V94.3Very high91.3Very high0 Ų039.3 Ų39.30%022%0.217CC..Hα-helixtrans-59.6-44.11761740000110.8L88 A91 G97 E99 L103 L104 L105 T133 V136 L137L88-V101 HydrophobicContact CD1-CG1 4.15Å; A91-V101 HydrophobicContact CB-CG2 4.27Å; G97-V101 PolarHBondContact O-N 2.85Å; E99-V101 PolarHBondContact O-N 3.21Å; V101-L103 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 3.23Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L105 HydrophobicContact CG1-CD1 3.81Å; V101-L105 WeakPolarHBondContact O-CB 3.38Å; V101-L105 WeakPolarHBondContact O-CD1 3.44Å; V101-L105 VanDerWaalsContact O-CG 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.34Å; V101-L105 PolarHBondContact O-N 2.63Å; V101-T133 HydrophobicContact CG2-CG2 4.37Å; V101-V136 HydrophobicContact CG1-CG1 3.97Å; V101-L137 HydrophobicContact CG1-CD2 3.85Å; V101-L137 HydrophobicContact CG1-CG 4.02Å
102S93.9Very high90.9Very high30 Ų3041.4 Ų41.421%0.2123%0.232CC..Hα-helixtrans-65.3-32.417885.90000113.5P98 E99 V100 K106P98-S102 WeakPolarHBondContact O-CB 3.39Å; P98-S102 PolarHBondContact O-N 2.79Å; E99-S102 PolarHBondContact O-N 3.04Å; E99-S102 VanDerWaalsContact O-N 3.14Å; E99-S102 PolarHBondContact O-OG 3.48Å; V100-S102 VanDerWaalsContact C-N 3.33Å; V100-S102 PolarHBondContact O-N 3.05Å; S102-K106 WeakPolarHBondContact O-CB 3.43Å; S102-K106 VanDerWaalsContact O-CD 3.32Å; S102-K106 WeakPolarHBondContact O-CD 3.48Å; S102-K106 WeakPolarHBondContact O-CG 3.37Å; S102-K106 PolarHBondContact O-N 3.37Å; S102-K106 VanDerWaalsContact O-N 3.11Å
103L95.1Very high90.7Very high30 Ų3043.6 Ų43.616%0.15724%0.243CC..Hα-helixtrans-70.5-47.6177.2-72.5164.5000110.9A64 K68 L71 E99 V100 V101 L105 K106 S107A64-L103 HydrophobicContact CB-CD1 4.13Å; A64-L103 WeakPolarHBondContact O-CD1 3.49Å; K68-L103 HydrophobicContact CB-CD1 4.12Å; K68-L103 HydrophobicContact CB-CD2 4.38Å; K68-L103 HydrophobicContact CD-CD2 4.47Å; L71-L103 HydrophobicContact CD1-CB 4.18Å; E99-L103 HydrophobicContact CG-CD1 4.26Å; E99-L103 WeakPolarHBondContact O-CG 3.34Å; E99-L103 PolarHBondContact O-N 2.95Å; V100-L103 PolarHBondContact O-N 3.13Å; V101-L103 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 3.23Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 2.72Å; L103-K106 PolarHBondContact O-N 2.7Å; L103-S107 PolarHBondContact O-N 3.47Å; L103-S107 PolarHBondContact O-OG 3.1Å
104L94.2Very high90.6Very high0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-60.3-41.2176.4-69.3166.9000111.9L47 V67 L71 P77 A87 L88 A91 V100 V101 S107 G108 A109L47-L104 HydrophobicContact CD1-CD2 4.09Å; L47-L104 HydrophobicContact CD2-CD2 3.97Å; L47-L104 HydrophobicContact CG-CD2 4.11Å; V67-L104 HydrophobicContact CG1-CD2 4.29Å; V67-L104 HydrophobicContact CG1-CG 4.34Å; L71-L104 HydrophobicContact CD1-CD2 4.25Å; L71-L104 HydrophobicContact CD2-CD2 4.38Å; P77-L104 HydrophobicContact CB-CD2 4.14Å; A87-L104 HydrophobicContact CB-CD2 4.15Å; L88-L104 HydrophobicContact CD1-CB 3.94Å; L88-L104 HydrophobicContact CD1-CD1 4.08Å; A91-L104 HydrophobicContact CB-CD1 3.88Å; V100-L104 HydrophobicContact CG1-CD1 4Å; V100-L104 WeakPolarHBondContact O-CG 3.22Å; V100-L104 PolarHBondContact O-N 2.97Å; V101-L104 PolarHBondContact O-N 3.48Å; L104-S107 WeakPolarHBondContact CA-OG 3.36Å; L104-S107 PolarHBondContact O-N 3.01Å; L104-S107 PolarHBondContact O-OG 3.12Å; L104-G108 PolarHBondContact O-N 3.07Å; L104-A109 HydrophobicContact CB-CB 4.18Å; L104-A109 WeakPolarHBondContact O-CB 3.35Å; L104-A109 PolarHBondContact O-N 2.94Å
105L92.6Very high90.6Very high29 Ų2943.3 Ų43.315%0.15224%0.241CC..Hα-helixtrans-65.9-38.3176.3-70.5166.7000112.3L88 V101 L103 S107 G108 L111 V136 L137 A140L88-L105 HydrophobicContact CD1-CG 4.39Å; L88-L105 HydrophobicContact CD2-CD2 4.16Å; V101-L105 HydrophobicContact CG1-CD1 3.81Å; V101-L105 WeakPolarHBondContact O-CB 3.38Å; V101-L105 WeakPolarHBondContact O-CD1 3.44Å; V101-L105 VanDerWaalsContact O-CG 3.25Å; V101-L105 WeakPolarHBondContact O-CG 3.34Å; V101-L105 PolarHBondContact O-N 2.63Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-L105 PolarHBondContact O-N 2.72Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-G108 PolarHBondContact O-N 2.99Å; L105-L111 HydrophobicContact CD2-CD1 3.91Å; L105-L111 HydrophobicContact CD2-CD2 4.15Å; L105-L111 HydrophobicContact CD2-CG 4.06Å; L105-V136 HydrophobicContact CD1-CG1 3.92Å; L105-L137 HydrophobicContact CD1-CD2 4.4Å; L105-A140 HydrophobicContact CD1-CB 3.8Å; L105-A140 HydrophobicContact CD2-CB 4.15Å
106K92.5Very high90.7Very high164 Ų16444.8 Ų44.871%0.71325%0.249SC*.Hα-helixtrans-66.9-31.4174.4-75.2164.5-174.91650112.7S102 L103 G108S102-K106 WeakPolarHBondContact O-CB 3.43Å; S102-K106 VanDerWaalsContact O-CD 3.32Å; S102-K106 WeakPolarHBondContact O-CD 3.48Å; S102-K106 WeakPolarHBondContact O-CG 3.37Å; S102-K106 PolarHBondContact O-N 3.37Å; S102-K106 VanDerWaalsContact O-N 3.11Å; L103-K106 PolarHBondContact O-N 2.7Å; K106-G108 PolarHBondContact O-N 3.46Å
107S92.1Very high90.7Very high45 Ų4547.5 Ų47.532%0.31527%0.267SS..THydrogen-bonded Turntrans-84.418.117467.40000113.9L71 L103 L104 L105L71-S107 VanDerWaalsContact CD2-OG 3.28Å; L71-S107 WeakPolarHBondContact CD2-OG 3.47Å; L103-S107 PolarHBondContact O-N 3.47Å; L103-S107 PolarHBondContact O-OG 3.1Å; L104-S107 WeakPolarHBondContact CA-OG 3.36Å; L104-S107 PolarHBondContact O-N 3.01Å; L104-S107 PolarHBondContact O-OG 3.12Å; L105-S107 VanDerWaalsContact C-N 3.33Å
108G89.3Confident90.6Very high43 Ų4350.4 Ų50.444%0.44328%0.284SS..THydrogen-bonded Turntrans79.922.9173.500000115.7N78 L104 L105 K106 D110N78-G108 PolarHBondContact ND2-O 3.46Å; L104-G108 PolarHBondContact O-N 3.07Å; L105-G108 PolarHBondContact O-N 2.99Å; K106-G108 PolarHBondContact O-N 3.46Å; G108-D110 PolarHBondContact O-N 3.39Å
109A92.5Very high90.3Very high1 Ų151.3 Ų51.31%0.00828%0.281CS..  trans-57.3132.4169.300000111P77 N78 L88 L104 K144P77-A109 HydrophobicContact CB-CB 3.91Å; P77-A109 HydrophobicContact CG-CB 4.2Å; N78-A109 WeakPolarHBondContact OD1-CA 3.3Å; L88-A109 HydrophobicContact CB-CB 4.44Å; L88-A109 HydrophobicContact CD2-CB 4.17Å; L104-A109 HydrophobicContact CB-CB 4.18Å; L104-A109 WeakPolarHBondContact O-CB 3.35Å; L104-A109 PolarHBondContact O-N 2.94Å; A109-K144 PolarHBondContact O-NZ 3.24Å
110D88.1Confident90Very high41 Ų4145.5 Ų45.522%0.21925%0.254CS..  trans-89.1148.4175.2-168.142.2000113.4N78 G108 S112 L113 K144 K146N78-D110 PolarHBondContact OD1-N 2.91Å; G108-D110 PolarHBondContact O-N 3.39Å; D110-S112 VanDerWaalsContact CG-OG 3.31Å; D110-S112 PolarHBondContact OD1-OG 2.98Å; D110-S112 WeakPolarHBondContact OD2-CA 3.49Å; D110-S112 WeakPolarHBondContact OD2-CB 3.36Å; D110-S112 PolarHBondContact OD2-N 2.87Å; D110-S112 PolarHBondContact OD2-OG 3.33Å; D110-L113 HydrophobicContact CB-CD1 4.21Å; D110-L113 HydrophobicContact CB-CG 4.27Å; D110-K144 IonicContact OD1-NZ 2.7Å; D110-K146 IonicContact OD1-NZ 3.86Å
111L86Confident89.7Confident8 Ų845.5 Ų45.54%0.04225%0.254CS..SBendtrans-104.8-14.2-177-71.9161.5000112.4L88 L105 S120 L137 A140 K144L88-L111 HydrophobicContact CD2-CD2 3.68Å; L88-L111 HydrophobicContact CD2-CG 4.36Å; L105-L111 HydrophobicContact CD2-CD1 3.91Å; L105-L111 HydrophobicContact CD2-CD2 4.15Å; L105-L111 HydrophobicContact CD2-CG 4.06Å; L111-S120 PolarHBondContact O-OG 3.01Å; L111-L137 HydrophobicContact CD2-CD2 3.65Å; L111-A140 HydrophobicContact CD1-CB 4.09Å; L111-K144 HydrophobicContact CD1-CD 4.25Å
112S83.8Confident89.4Confident44 Ų4445.5 Ų45.531%0.30825%0.254SS..SBendtrans-79.2-23.4175.9-9.50000112.5D110 K146D110-S112 VanDerWaalsContact CG-OG 3.31Å; D110-S112 PolarHBondContact OD1-OG 2.98Å; D110-S112 WeakPolarHBondContact OD2-CA 3.49Å; D110-S112 WeakPolarHBondContact OD2-CB 3.36Å; D110-S112 PolarHBondContact OD2-N 2.87Å; D110-S112 PolarHBondContact OD2-OG 3.33Å; S112-K146 PolarHBondContact OG-NZ 3.04Å
113L87.1Confident89.1Confident47 Ų4744.1 Ų44.125%0.24624%0.244CC..  trans-58137.5177.4-66.3173.5000110.7N78 T86 M89 D110N78-L113 HydrophobicContact CB-CD1 4.11Å; T86-L113 HydrophobicContact CG2-CB 4.11Å; T86-L113 HydrophobicContact CG2-CD1 3.7Å; M89-L113 VanDerWaalsContact CE-C 3.48Å; M89-L113 HydrophobicContact CE-CB 4.23Å; M89-L113 WeakPolarHBondContact CE-O 3.41Å; D110-L113 HydrophobicContact CB-CD1 4.21Å; D110-L113 HydrophobicContact CB-CG 4.27Å
114Q89.1Confident88.7Confident89 Ų8943.9 Ų43.942%0.41624%0.241SC..  trans-127.7150.5179.4-65.9174.621.800109.2Q80 S118 Y119Q80-Q114 PolarHBondContact NE2-O 3.36Å; Q114-S118 PolarHBondContact OE1-O 2.89Å; Q114-Y119 WeakPolarHBondContact CA-O 3.43Å
115D89.8Confident88.4Confident9 Ų943.9 Ų43.95%0.04824%0.241CC..  trans-80.5179.3173.776.33.9000112.6S83 G84 K85 M89 S117 S118 Y119 Y124S83-D115 WeakPolarHBondContact O-CB 3.33Å; G84-D115 WeakPolarHBondContact O-CA 3.38Å; K85-D115 VanDerWaalsContact CE-OD2 3.31Å; K85-D115 WeakPolarHBondContact CE-OD2 3.41Å; K85-D115 HydrophobicContact CG-CB 3.68Å; K85-D115 IonicContact NZ-OD2 3.15Å; M89-D115 HydrophobicContact SD-CB 4.02Å; D115-S117 PolarHBondContact O-N 3.26Å; D115-S117 VanDerWaalsContact OD1-CA 3.27Å; D115-S117 WeakPolarHBondContact OD1-CA 3.08Å; D115-S117 WeakPolarHBondContact OD1-CB 3.41Å; D115-S117 PolarHBondContact OD1-N 3.4Å; D115-S118 PolarHBondContact O-N 2.96Å; D115-S118 PolarHBondContact OD1-N 3.28Å; D115-Y119 PolarHBondContact N-O 3.27Å; D115-Y119 PolarHBondContact OD1-N 3.39Å; D115-Y124 WeakPolarHBondContact OD2-CE2 3.44Å; D115-Y124 PolarHBondContact OD2-OH 3.04Å
116H90.9Very high88.1Confident143 Ų14343.7 Ų43.766%0.66224%0.24SC*.THydrogen-bonded Turntrans-65.5-4.8178.6-60.9164000114K82 S83K82-H116 PolarHBondContact O-CE1 3.36Å; K82-H116 VanDerWaalsContact O-CE1 3.23Å; K82-H116 PolarHBondContact O-ND1 3.38Å; S83-H116 WeakPolarHBondContact O-CB 3.35Å; S83-H116 VanDerWaalsContact O-CG 3.32Å; S83-H116 PolarHBondContact O-N 3.07Å
117S85.8Confident87.8Confident71 Ų7138.3 Ų38.350%0.49722%0.219SC..THydrogen-bonded Turntrans-105.514.8172.8-560000112.6D115 Y119D115-S117 PolarHBondContact O-N 3.26Å; D115-S117 VanDerWaalsContact OD1-CA 3.27Å; D115-S117 WeakPolarHBondContact OD1-CA 3.08Å; D115-S117 WeakPolarHBondContact OD1-CB 3.41Å; D115-S117 PolarHBondContact OD1-N 3.4Å; S117-Y119 PolarHBondContact O-N 2.98Å
118S85.9Confident87.4Confident82 Ų8237 Ų3757%0.57321%0.211SC*.SBendtrans57.721.1-173.366.80000115.9Q114 D115Q114-S118 PolarHBondContact OE1-O 2.89Å; D115-S118 PolarHBondContact O-N 2.96Å; D115-S118 PolarHBondContact OD1-N 3.28Å
119Y85.4Confident87.1Confident75 Ų7540.1 Ų40.129%0.29421%0.214SC..  trans-91.2128.3176.5-60.2-43.8000111.8Q114 D115 S117 V123Q114-Y119 WeakPolarHBondContact CA-O 3.43Å; D115-Y119 PolarHBondContact N-O 3.27Å; D115-Y119 PolarHBondContact OD1-N 3.39Å; S117-Y119 PolarHBondContact O-N 2.98Å; Y119-V123 HydrophobicContact CD1-CB 4.4Å; Y119-V123 HydrophobicContact CD1-CG1 3.49Å; Y119-V123 VanDerWaalsContact CD1-CG1 3.49Å; Y119-V123 HydrophobicContact CE1-CG1 4.18Å; Y119-V123 HydrophobicContact CG-CG1 3.82Å
120S88.1Confident86.7Confident2 Ų241.6 Ų41.61%0.01422%0.221CC..  trans-88.7165.8168.8174.80000111.2L111 L122 V123 Y124L111-S120 PolarHBondContact O-OG 3.01Å; S120-L122 PolarHBondContact O-N 3.44Å; S120-L122 VanDerWaalsContact O-N 3.12Å; S120-V123 WeakPolarHBondContact O-CB 3.36Å; S120-V123 PolarHBondContact O-N 2.85Å; S120-Y124 WeakPolarHBondContact O-CD2 3.43Å; S120-Y124 PolarHBondContact O-N 2.81Å
121A88.3Confident86.7Confident2 Ų243.8 Ų43.82%0.01724%0.236CC..Hα-helixtrans-54.7-30.6176.500000113.3L88 M89 Y124 A125L88-A121 HydrophobicContact CB-CB 4.33Å; L88-A121 HydrophobicContact CD2-CB 3.96Å; L88-A121 HydrophobicContact CG-CB 3.83Å; M89-A121 HydrophobicContact CG-CB 3.86Å; A121-Y124 WeakPolarHBondContact O-CB 3.41Å; A121-Y124 PolarHBondContact O-N 3.33Å; A121-A125 PolarHBondContact O-N 3.15Å
122L87.5Confident86.9Confident1 Ų147.8 Ų47.81%0.00526%0.255CS..Hα-helixtrans-70.3-36.5178.1-176.4148.8000112.5S120 Y124 A125 I126 L134 L138 V148 I150S120-L122 PolarHBondContact O-N 3.44Å; S120-L122 VanDerWaalsContact O-N 3.12Å; L122-Y124 VanDerWaalsContact C-N 3.34Å; L122-A125 PolarHBondContact O-N 2.97Å; L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 WeakPolarHBondContact O-CD1 3.41Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 3.19Å; L122-L134 HydrophobicContact CG-CD1 4.16Å; L122-L138 HydrophobicContact CD1-CD2 4.03Å; L122-V148 HydrophobicContact CD1-CG1 4.18Å; L122-V148 HydrophobicContact CD2-CG1 4.04Å; L122-I150 HydrophobicContact CD2-CD1 3.75Å; L122-I150 HydrophobicContact CD2-CG1 3.75Å
123V86.5Confident87.2Confident0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-60.4-44.9168.1159.20000110.6Y119 S120 A125 I126 N127 T163 Q165Y119-V123 HydrophobicContact CD1-CB 4.4Å; Y119-V123 HydrophobicContact CD1-CG1 3.49Å; Y119-V123 VanDerWaalsContact CD1-CG1 3.49Å; Y119-V123 HydrophobicContact CE1-CG1 4.18Å; Y119-V123 HydrophobicContact CG-CG1 3.82Å; S120-V123 WeakPolarHBondContact O-CB 3.36Å; S120-V123 PolarHBondContact O-N 2.85Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-A125 PolarHBondContact O-N 3.18Å; V123-I126 PolarHBondContact O-N 2.68Å; V123-N127 WeakPolarHBondContact CG1-ND2 3.5Å; V123-N127 WeakPolarHBondContact O-CB 3.25Å; V123-N127 PolarHBondContact O-N 2.7Å; V123-N127 PolarHBondContact O-OD1 2.75Å; V123-T163 VanDerWaalsContact CG1-OG1 3.29Å; V123-T163 WeakPolarHBondContact CG1-OG1 3.47Å; V123-Q165 HydrophobicContact CG2-CB 3.79Å
124Y88.1Confident87.2Confident25 Ų2545.3 Ų45.310%0.09824%0.238CC..Hα-helixtrans-61.4-39.3178.3-80.3-69.6000113.3K85 M89 L93 D115 S120 A121 L122 I126 N127 S128K85-Y124 VanDerWaalsContact CE-OH 3.26Å; K85-Y124 WeakPolarHBondContact CE-OH 3.37Å; K85-Y124 PolarHBondContact NZ-OH 3.18Å; M89-Y124 HydrophobicContact CB-CD2 4.1Å; M89-Y124 HydrophobicContact CB-CE2 4.44Å; M89-Y124 HydrophobicContact CG-CD2 4.25Å; L93-Y124 HydrophobicContact CB-CD1 4.17Å; L93-Y124 HydrophobicContact CD1-CD1 3.91Å; L93-Y124 HydrophobicContact CD1-CE1 3.71Å; L93-Y124 HydrophobicContact CG-CD1 4.18Å; L93-Y124 HydrophobicContact CG-CE1 4.44Å; D115-Y124 WeakPolarHBondContact OD2-CE2 3.44Å; D115-Y124 PolarHBondContact OD2-OH 3.04Å; S120-Y124 WeakPolarHBondContact O-CD2 3.43Å; S120-Y124 PolarHBondContact O-N 2.81Å; A121-Y124 WeakPolarHBondContact O-CB 3.41Å; A121-Y124 PolarHBondContact O-N 3.33Å; L122-Y124 VanDerWaalsContact C-N 3.34Å; Y124-I126 VanDerWaalsContact C-N 3.32Å; Y124-I126 PolarHBondContact O-N 2.7Å; Y124-N127 PolarHBondContact O-N 2.83Å; Y124-S128 WeakPolarHBondContact O-CB 3.46Å; Y124-S128 PolarHBondContact O-N 2.97Å; Y124-S128 PolarHBondContact O-OG 3.33Å; Y124-S128 VanDerWaalsContact O-OG 3.11Å
125A87.6Confident87.3Confident0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-65.9-30177.600000114C92 A121 L122 V123 S128 E129 D130 L134 L137C92-A125 HydrophobicContact CB-CB 4.18Å; A121-A125 PolarHBondContact O-N 3.15Å; L122-A125 PolarHBondContact O-N 2.97Å; V123-A125 VanDerWaalsContact C-N 3.35Å; V123-A125 PolarHBondContact O-N 3.18Å; A125-S128 PolarHBondContact O-OG 3.26Å; A125-E129 PolarHBondContact O-N 3.33Å; A125-D130 PolarHBondContact O-N 2.95Å; A125-L134 HydrophobicContact CB-CB 4.46Å; A125-L134 HydrophobicContact CB-CD1 4.48Å; A125-L137 HydrophobicContact CB-CD1 3.49Å; A125-L137 VanDerWaalsContact CB-CD1 3.49Å
126I86.6Confident87.3Confident25 Ų2548.1 Ų48.113%0.12825%0.252CS..Hα-helixtrans-77.6-43.5174.2-59152.8000110.2L122 V123 Y124 S128 E129 L134 I150 T152 T163L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 WeakPolarHBondContact O-CD1 3.41Å; L122-I126 WeakPolarHBondContact O-CG1 3.43Å; L122-I126 PolarHBondContact O-N 3.19Å; V123-I126 PolarHBondContact O-N 2.68Å; Y124-I126 VanDerWaalsContact C-N 3.32Å; Y124-I126 PolarHBondContact O-N 2.7Å; I126-S128 PolarHBondContact O-N 3.09Å; I126-E129 PolarHBondContact O-N 2.89Å; I126-L134 HydrophobicContact CD1-CD1 4.45Å; I126-L134 HydrophobicContact CG1-CD1 3.87Å; I126-L134 HydrophobicContact CG1-CD2 3.89Å; I126-I150 HydrophobicContact CD1-CD1 4.12Å; I126-I150 HydrophobicContact CD1-CG1 4.43Å; I126-I150 HydrophobicContact CD1-CG2 3.41Å; I126-I150 VanDerWaalsContact CD1-CG2 3.41Å; I126-T152 HydrophobicContact CG2-CG2 4.43Å; I126-T163 HydrophobicContact CG2-CG2 3.99Å
127N85.4Confident87.2Confident51 Ų5141.3 Ų41.327%0.27322%0.22SC..Hα-helixtrans-67.2-22.2-179.8-64.3-5000112.4V123 Y124 T163V123-N127 WeakPolarHBondContact CG1-ND2 3.5Å; V123-N127 WeakPolarHBondContact O-CB 3.25Å; V123-N127 PolarHBondContact O-N 2.7Å; V123-N127 PolarHBondContact O-OD1 2.75Å; Y124-N127 PolarHBondContact O-N 2.83Å; N127-T163 VanDerWaalsContact OD1-CG2 3.26Å; N127-T163 WeakPolarHBondContact OD1-CG2 3.46Å; N127-T163 PolarHBondContact OD1-OG1 3Å
128S83.3Confident87.3Confident19 Ų1941.3 Ų41.313%0.13321%0.214CC..THydrogen-bonded Turntrans-89.1-4.6169.965.60000113.9C92 K95 Y124 A125 I126 D130C92-S128 WeakPolarHBondContact O-CB 3.38Å; C92-S128 PolarHBondContact O-OG 3.39Å; K95-S128 WeakPolarHBondContact CE-O 3.35Å; K95-S128 PolarHBondContact NZ-O 2.87Å; Y124-S128 WeakPolarHBondContact O-CB 3.46Å; Y124-S128 PolarHBondContact O-N 2.97Å; Y124-S128 PolarHBondContact O-OG 3.33Å; Y124-S128 VanDerWaalsContact O-OG 3.11Å; A125-S128 PolarHBondContact O-OG 3.26Å; I126-S128 PolarHBondContact O-N 3.09Å; S128-D130 PolarHBondContact O-N 2.9Å
129E84.4Confident87.4Confident108 Ų10840.9 Ų40.951%0.50521%0.212SC..THydrogen-bonded Turntrans59.325.6-177.8-56.6-174.3151.700114.1A125 I126 T131 K155 H161A125-E129 PolarHBondContact O-N 3.33Å; I126-E129 PolarHBondContact O-N 2.89Å; E129-T131 PolarHBondContact O-N 3.3Å; E129-K155 IonicContact OE1-NZ 1.89Å; E129-K155 PolarHBondContact OE1-NZ 3.31Å; E129-H161 WeakPolarHBondContact CG-NE2 3.46Å; E129-H161 IonicContact OE1-CD2 3.91Å; E129-H161 PolarHBondContact OE1-CD2 3.29Å; E129-H161 IonicContact OE1-NE2 2.77Å; E129-H161 PolarHBondContact OE1-NE2 3.08Å
130D83.9Confident87.5Confident31 Ų3138.2 Ų38.217%0.16621%0.205CC..  trans-86.384.1-178.8-92.86.5000113K95 A125 S128 E132 T133 L134K95-D130 WeakPolarHBondContact CA-OD2 3.32Å; K95-D130 WeakPolarHBondContact CB-OD2 3.49Å; K95-D130 WeakPolarHBondContact CD-OD1 3.15Å; K95-D130 WeakPolarHBondContact CE-OD1 3.41Å; K95-D130 WeakPolarHBondContact CG-OD2 3.48Å; K95-D130 IonicContact NZ-OD1 2.75Å; K95-D130 PolarHBondContact NZ-OD1 3.44Å; A125-D130 PolarHBondContact O-N 2.95Å; S128-D130 PolarHBondContact O-N 2.9Å; D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.31Å; D130-T133 HydrophobicContact CB-CG2 4.01Å; D130-T133 WeakPolarHBondContact CB-OG1 2.99Å; D130-T133 PolarHBondContact O-N 2.88Å; D130-T133 PolarHBondContact O-OG1 2.77Å; D130-T133 VanDerWaalsContact O-OG1 3.11Å; D130-L134 PolarHBondContact O-N 3.24Å
131T87.9Confident87.4Confident88 Ų8838.4 Ų38.454%0.5421%0.206SC..Hα-helixtrans-51.9-41.3-177.657.90000114.3E129 L134 K135E129-T131 PolarHBondContact O-N 3.3Å; T131-L134 PolarHBondContact O-N 3.25Å; T131-K135 WeakPolarHBondContact O-CG 3.37Å; T131-K135 PolarHBondContact O-N 3.21Å
132E89.6Confident87.2Confident91 Ų9146.8 Ų46.843%0.42524%0.242SC..Hα-helixtrans-76-32.5-175.5-53.9-42.2108.800112.8P98 D130 K135 V136P98-E132 HydrophobicContact CG-CB 4.35Å; D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.31Å; E132-K135 WeakPolarHBondContact OE1-CE 3.4Å; E132-K135 IonicContact OE1-NZ 3.55Å; E132-K135 PolarHBondContact OE1-NZ 2.98Å; E132-K135 WeakPolarHBondContact OE2-CD 3.5Å; E132-K135 IonicContact OE2-NZ 2.72Å; E132-K135 PolarHBondContact OE2-NZ 2.82Å; E132-V136 WeakPolarHBondContact O-CG2 2.99Å; E132-V136 PolarHBondContact O-N 3.45Å
133T89.4Confident87Confident2 Ų251 Ų511%0.01228%0.277CS..Hα-helixtrans-71.1-38.8172.375.60000110.5V101 D130 K135 V136 L137V101-T133 HydrophobicContact CG2-CG2 4.37Å; D130-T133 HydrophobicContact CB-CG2 4.01Å; D130-T133 WeakPolarHBondContact CB-OG1 2.99Å; D130-T133 PolarHBondContact O-N 2.88Å; D130-T133 PolarHBondContact O-OG1 2.77Å; D130-T133 VanDerWaalsContact O-OG1 3.11Å; T133-K135 PolarHBondContact O-N 3.25Å; T133-V136 PolarHBondContact O-N 2.66Å; T133-L137 VanDerWaalsContact O-CG 3.31Å; T133-L137 WeakPolarHBondContact O-CG 3.35Å; T133-L137 PolarHBondContact O-N 2.88Å
134L88.9Confident86.7Confident38 Ų3855 Ų5520%0.19930%0.295CS..Hα-helixtrans-61.8-41.5176.3-176.659.6000112.2L122 A125 I126 D130 T131 V136 L137 L138L122-L134 HydrophobicContact CG-CD1 4.16Å; A125-L134 HydrophobicContact CB-CB 4.46Å; A125-L134 HydrophobicContact CB-CD1 4.48Å; I126-L134 HydrophobicContact CD1-CD1 4.45Å; I126-L134 HydrophobicContact CG1-CD1 3.87Å; I126-L134 HydrophobicContact CG1-CD2 3.89Å; D130-L134 PolarHBondContact O-N 3.24Å; T131-L134 PolarHBondContact O-N 3.25Å; L134-V136 PolarHBondContact O-N 2.91Å; L134-L137 PolarHBondContact O-N 3.46Å; L134-L138 HydrophobicContact CD1-CD1 4.13Å; L134-L138 HydrophobicContact CD1-CG 4.13Å; L134-L138 HydrophobicContact CG-CD1 3.91Å; L134-L138 HydrophobicContact CG-CG 4.38Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.34Å; L134-L138 PolarHBondContact O-N 2.65Å
135K89.4Confident86Confident117 Ų11756.9 Ų56.951%0.50932%0.321SS..Hα-helixtrans-59.1-43.4172.9-72.3168.4-170.4169.70112.5T131 E132 T133 S139T131-K135 WeakPolarHBondContact O-CG 3.37Å; T131-K135 PolarHBondContact O-N 3.21Å; E132-K135 WeakPolarHBondContact OE1-CE 3.4Å; E132-K135 IonicContact OE1-NZ 3.55Å; E132-K135 PolarHBondContact OE1-NZ 2.98Å; E132-K135 WeakPolarHBondContact OE2-CD 3.5Å; E132-K135 IonicContact OE2-NZ 2.72Å; E132-K135 PolarHBondContact OE2-NZ 2.82Å; T133-K135 PolarHBondContact O-N 3.25Å; K135-S139 WeakPolarHBondContact O-CB 3.4Å; K135-S139 PolarHBondContact O-N 2.97Å; K135-S139 PolarHBondContact O-OG 3.4Å
136V91.4Very high85.3Confident39 Ų3960 Ų6024%0.23634%0.335CS..Hα-helixtrans-66.3-39.9177.61740000111.1P98 V101 L105 E132 T133 L134 S139 A140P98-V136 HydrophobicContact CB-CG2 4.08Å; V101-V136 HydrophobicContact CG1-CG1 3.97Å; L105-V136 HydrophobicContact CD1-CG1 3.92Å; E132-V136 WeakPolarHBondContact O-CG2 2.99Å; E132-V136 PolarHBondContact O-N 3.45Å; T133-V136 PolarHBondContact O-N 2.66Å; L134-V136 PolarHBondContact O-N 2.91Å; V136-S139 WeakPolarHBondContact CA-OG 3.47Å; V136-S139 PolarHBondContact O-OG 3.31Å; V136-S139 VanDerWaalsContact O-OG 3.07Å; V136-A140 WeakPolarHBondContact O-CB 3.3Å; V136-A140 PolarHBondContact O-N 3.05Å; V136-A140 VanDerWaalsContact O-N 3.11Å
137L88.5Confident84.1Confident0 Ų066 Ų660%036%0.363CS..Hα-helixtrans-67.4-46.3176.1-68.3162.9000112L88 V101 L105 L111 A125 T133 L134 S139 A140 C141L88-L137 HydrophobicContact CD1-CD2 4.46Å; L88-L137 HydrophobicContact CD2-CD2 4.31Å; V101-L137 HydrophobicContact CG1-CD2 3.85Å; V101-L137 HydrophobicContact CG1-CG 4.02Å; L105-L137 HydrophobicContact CD1-CD2 4.4Å; L111-L137 HydrophobicContact CD2-CD2 3.65Å; A125-L137 HydrophobicContact CB-CD1 3.49Å; A125-L137 VanDerWaalsContact CB-CD1 3.49Å; T133-L137 VanDerWaalsContact O-CG 3.31Å; T133-L137 WeakPolarHBondContact O-CG 3.35Å; T133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.46Å; L137-S139 PolarHBondContact O-N 3.22Å; L137-A140 CarbonylContact O-C 3.4Å; L137-A140 PolarHBondContact O-N 3.3Å; L137-C141 PolarHBondContact O-N 3Å; L137-C141 PolarHBondContact O-SG 3.41Å; L137-C141 VanDerWaalsContact O-SG 3.33Å
138L87.4Confident83.1Confident71 Ų7164.9 Ų64.937%0.37236%0.357SS..Hα-helixtrans-63.1-42.3179.4-74.7169.2000112.4L122 L134 A140 C141 K142 I150L122-L138 HydrophobicContact CD1-CD2 4.03Å; L134-L138 HydrophobicContact CD1-CD1 4.13Å; L134-L138 HydrophobicContact CD1-CG 4.13Å; L134-L138 HydrophobicContact CG-CD1 3.91Å; L134-L138 HydrophobicContact CG-CG 4.38Å; L134-L138 WeakPolarHBondContact O-CB 3.33Å; L134-L138 VanDerWaalsContact O-CG 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.34Å; L134-L138 PolarHBondContact O-N 2.65Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 3.3Å; L138-C141 PolarHBondContact O-N 3.24Å; L138-K142 PolarHBondContact O-N 2.86Å; L138-I150 HydrophobicContact CD2-CD1 4.35Å
139S88.6Confident82.1Confident74 Ų7468.1 Ų68.152%0.51737%0.372SS..Hα-helixtrans-65-36.1174.4500000112.1K135 V136 L137 A143K135-S139 WeakPolarHBondContact O-CB 3.4Å; K135-S139 PolarHBondContact O-N 2.97Å; K135-S139 PolarHBondContact O-OG 3.4Å; V136-S139 WeakPolarHBondContact CA-OG 3.47Å; V136-S139 PolarHBondContact O-OG 3.31Å; V136-S139 VanDerWaalsContact O-OG 3.07Å; L137-S139 PolarHBondContact O-N 3.22Å; S139-A143 WeakPolarHBondContact O-CB 3.38Å; S139-A143 PolarHBondContact O-N 2.94Å
140A87.3Confident81.2Confident19 Ų1965.5 Ų65.516%0.15736%0.361CS..Hα-helixtrans-70.4-35.9172.400000113.8L105 L111 V136 L137 L138 A143 K144L105-A140 HydrophobicContact CD1-CB 3.8Å; L105-A140 HydrophobicContact CD2-CB 4.15Å; L111-A140 HydrophobicContact CD1-CB 4.09Å; V136-A140 WeakPolarHBondContact O-CB 3.3Å; V136-A140 PolarHBondContact O-N 3.05Å; V136-A140 VanDerWaalsContact O-N 3.11Å; L137-A140 CarbonylContact O-C 3.4Å; L137-A140 PolarHBondContact O-N 3.3Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 3.3Å; A140-A143 PolarHBondContact O-N 3.38Å; A140-K144 WeakPolarHBondContact O-CG 3.45Å; A140-K144 PolarHBondContact O-N 2.91Å
141C85.3Confident80Confident6 Ų667.9 Ų67.94%0.04137%0.373CS..Hα-helixtrans-60.8-48.6171.2-72.90000111L137 L138 A143 K144 G145 K146 V148L137-C141 PolarHBondContact O-N 3Å; L137-C141 PolarHBondContact O-SG 3.41Å; L137-C141 VanDerWaalsContact O-SG 3.33Å; L138-C141 PolarHBondContact O-N 3.24Å; C141-A143 VanDerWaalsContact C-N 3.35Å; C141-A143 PolarHBondContact O-N 3.15Å; C141-K144 CarbonylContact O-C 3.57Å; C141-K144 PolarHBondContact O-N 2.9Å; C141-K144 VanDerWaalsContact O-N 3.12Å; C141-G145 PolarHBondContact O-N 3.43Å; C141-K146 PolarHBondContact O-N 3.05Å; C141-V148 HydrophobicContact CB-CG2 3.94Å
142K84.4Confident78.7Confident177 Ų17767.8 Ų67.877%0.7737%0.372SS*.Hα-helixtrans-60.9-42176.1-173.3171.6-178.1173.30111.9L138 K144 G145L138-K142 PolarHBondContact O-N 2.86Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 3.4Å; K142-G145 PolarHBondContact O-N 3.13Å
143A84.2Confident77.1Confident89 Ų8965.8 Ų65.874%0.73637%0.367SS*.Hα-helixtrans-65.7-28175.600000113.6S139 A140 C141 G145S139-A143 WeakPolarHBondContact O-CB 3.38Å; S139-A143 PolarHBondContact O-N 2.94Å; A140-A143 PolarHBondContact O-N 3.38Å; C141-A143 VanDerWaalsContact C-N 3.35Å; C141-A143 PolarHBondContact O-N 3.15Å; A143-G145 VanDerWaalsContact C-N 3.29Å
144K79.6Confident75.4Confident86 Ų8669.1 Ų69.137%0.37439%0.394SS..THydrogen-bonded Turntrans-85.68.8171-70-170.4-176.11800113.6A109 D110 L111 A140 C141 K142 K146A109-K144 PolarHBondContact O-NZ 3.24Å; D110-K144 IonicContact OD1-NZ 2.7Å; L111-K144 HydrophobicContact CD1-CD 4.25Å; A140-K144 WeakPolarHBondContact O-CG 3.45Å; A140-K144 PolarHBondContact O-N 2.91Å; C141-K144 CarbonylContact O-C 3.57Å; C141-K144 PolarHBondContact O-N 2.9Å; C141-K144 VanDerWaalsContact O-N 3.12Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 3.4Å; K144-K146 PolarHBondContact O-N 2.77Å
145G73.3Confident73.8Confident64 Ų6472.4 Ų72.466%0.6641%0.407SS*.THydrogen-bonded Turntrans65.521.7179.600000114.7C141 K142 A143C141-G145 PolarHBondContact O-N 3.43Å; K142-G145 PolarHBondContact O-N 3.13Å; A143-G145 VanDerWaalsContact C-N 3.29Å
146K71.6Confident71.9Confident65 Ų6568.6 Ų68.628%0.28340%0.395SS..  trans-104.8109.9-176.2-76177.3-179175.30110.4D110 S112 C141 K144 L167D110-K146 IonicContact OD1-NZ 3.86Å; S112-K146 PolarHBondContact OG-NZ 3.04Å; C141-K146 PolarHBondContact O-N 3.05Å; K144-K146 PolarHBondContact O-N 2.77Å; K146-L167 HydrophobicContact CB-CD1 4.03Å; K146-L167 HydrophobicContact CD-CD1 4.36Å; K146-L167 HydrophobicContact CG-CD1 4.33Å
147E61.6Low69.8Low152 Ų15273.8 Ų73.871%0.7143%0.43SS*.  trans-75130.6168.2-61.4-153.7150.500110.2
148V65.7Low68.1Low27 Ų2778.2 Ų78.216%0.16446%0.46CS..EExtended strand (participates in β ladder)trans-122.5104.9-174.1-171.70000108.9L122 C141 I150 Q165 L167L122-V148 HydrophobicContact CD1-CG1 4.18Å; L122-V148 HydrophobicContact CD2-CG1 4.04Å; C141-V148 HydrophobicContact CB-CG2 3.94Å; V148-I150 HydrophobicContact CG1-CG1 4.01Å; V148-Q165 HydrophobicContact CG1-CG 3.74Å; V148-L167 HydrophobicContact CG2-CD1 4.11Å
149I61.1Low66.5Low86 Ų8676.5 Ų76.544%0.44146%0.459SS..EExtended strand (participates in β ladder)trans-86122.6171.7-58.1176.6000107.4I151 Y166 N168I149-I151 HydrophobicContact CG2-CG1 4.29Å; I149-Y166 WeakPolarHBondContact CB-O 3.33Å; I149-Y166 PolarHBondContact N-O 3.18Å; I149-Y166 CarbonylContact O-C 3.58Å; I149-Y166 PolarHBondContact O-N 2.69Å; I149-N168 HydrophobicContact CD1-CB 4.3Å
150I65.8Low64.9Low54 Ų5479.9 Ų79.928%0.27747%0.465SS..EExtended strand (participates in β ladder)trans-112.6113.9-176.5-51.9156.2000107.1L122 I126 L138 V148 T152L122-I150 HydrophobicContact CD2-CD1 3.75Å; L122-I150 HydrophobicContact CD2-CG1 3.75Å; I126-I150 HydrophobicContact CD1-CD1 4.12Å; I126-I150 HydrophobicContact CD1-CG1 4.43Å; I126-I150 HydrophobicContact CD1-CG2 3.41Å; I126-I150 VanDerWaalsContact CD1-CG2 3.41Å; L138-I150 HydrophobicContact CD2-CD1 4.35Å; V148-I150 HydrophobicContact CG1-CG1 4.01Å; I150-T152 HydrophobicContact CG2-CG2 4.46Å
151I60.1Low63.6Low81 Ų8182.1 Ų82.142%0.41547%0.471SS..EExtended strand (participates in β ladder)trans-101.6107.2175-55.6-173.2000108.3I149 T153 K164 Y166I149-I151 HydrophobicContact CG2-CG1 4.29Å; I151-T153 HydrophobicContact CG2-CG2 3.91Å; I151-T153 PolarHBondContact O-N 2.95Å; I151-T153 VanDerWaalsContact O-N 3.09Å; I151-K164 PolarHBondContact N-O 3.47Å; I151-K164 PolarHBondContact O-N 2.95Å; I151-Y166 HydrophobicContact CB-CD2 4.23Å; I151-Y166 HydrophobicContact CB-CE2 4.05Å; I151-Y166 HydrophobicContact CD1-CD2 3.72Å; I151-Y166 HydrophobicContact CD1-CE2 3.65Å; I151-Y166 HydrophobicContact CG1-CD2 3.78Å; I151-Y166 HydrophobicContact CG1-CE2 3.95Å
152T60.3Low62.2Low85 Ų8584.9 Ų84.952%0.52149%0.488SS..  trans-77.785.3175.844.10000110.1I126 I150 A154 T162 T163I126-T152 HydrophobicContact CG2-CG2 4.43Å; I150-T152 HydrophobicContact CG2-CG2 4.46Å; T152-A154 VanDerWaalsContact C-N 3.25Å; T152-A154 PolarHBondContact O-N 3.26Å; T152-T162 CarbonylContact C-O 3.48Å; T152-T163 HydrophobicContact CG2-CG2 3.81Å
153T54.5Low61Low50 Ų5076.5 Ų76.531%0.30745%0.452SS..  trans-72.874.1-17948.70000112.6I151 T162 K164I151-T153 HydrophobicContact CG2-CG2 3.91Å; I151-T153 PolarHBondContact O-N 2.95Å; I151-T153 VanDerWaalsContact O-N 3.09Å; T153-T162 CarbonylContact C-O 3.57Å; T153-T162 WeakPolarHBondContact CA-O 3.41Å; T153-T162 PolarHBondContact N-O 3.33Å; T153-T162 PolarHBondContact O-OG1 3.06Å; T153-T162 PolarHBondContact OG1-O 3.11Å; T153-T162 VanDerWaalsContact OG1-O 3.11Å; T153-T162 PolarHBondContact OG1-OG1 2.93Å; T153-K164 HydrophobicContact CG2-CD 4.34Å; T153-K164 HydrophobicContact CG2-CG 4.42Å
154A53.8Low59.9Low72 Ų7277.8 Ų77.860%0.59544%0.441SS*.  trans64.5146.317500000117T152 T162T152-A154 VanDerWaalsContact C-N 3.25Å; T152-A154 PolarHBondContact O-N 3.26Å; A154-T162 PolarHBondContact O-N 3.39Å
155K55.1Low59.1Low106 Ų10675.4 Ų75.446%0.46143%0.431SS..BIsolated β-bridgetrans-85.1113.8167.2-163.4174.6-176.868.90107.7E129 G159 H161E129-K155 IonicContact OE1-NZ 1.89Å; E129-K155 PolarHBondContact OE1-NZ 3.31Å; K155-G159 WeakPolarHBondContact CE-O 3.34Å; K155-G159 WeakPolarHBondContact CG-O 3.48Å; K155-G159 PolarHBondContact NZ-O 2.77Å; K155-H161 WeakPolarHBondContact CD-CE1 3.48Å; K155-H161 PolarHBondContact NZ-NE2 3.37Å
156S49.8Very low58.3Low38 Ų3877.9 Ų77.927%0.26642%0.422SS..  trans-67.5159.6177.769.80000111.2C158 G159 K160S156-C158 PolarHBondContact O-N 2.66Å; S156-G159 PolarHBondContact O-N 2.81Å; S156-K160 WeakPolarHBondContact CB-O 3.45Å; S156-K160 PolarHBondContact N-O 3.07Å; S156-K160 PolarHBondContact OG-O 3.13Å
157P47.8Very low57.6Low147 Ų14778.6 Ų78.696%0.95543%0.428SS*.THydrogen-bonded Turntrans-58.1-17.2173.9-2635.7000114.4G159P157-G159 PolarHBondContact O-N 3.01Å
158C53.2Low57.2Low94 Ų9476.3 Ų76.364%0.63542%0.42SS*.THydrogen-bonded Turntrans-829.6173.3-167.30000112.8S156 K160S156-C158 PolarHBondContact O-N 2.66Å; C158-K160 PolarHBondContact O-N 2.9Å
159G54Low55.9Low35 Ų3581.8 Ų81.836%0.36145%0.446SS..SBendtrans74.6-23.7-177.800000114.8K155 S156 P157 H161K155-G159 WeakPolarHBondContact CE-O 3.34Å; K155-G159 WeakPolarHBondContact CG-O 3.48Å; K155-G159 PolarHBondContact NZ-O 2.77Å; S156-G159 PolarHBondContact O-N 2.81Å; P157-G159 PolarHBondContact O-N 3.01Å; G159-H161 PolarHBondContact O-N 3.43Å
160K55.5Low54.9Low145 Ų14582.2 Ų82.263%0.6346%0.455SS*.PPolyproline II helixtrans-63.5118.5175.3-62.1176.9-175.8176.30110S156 C158S156-K160 WeakPolarHBondContact CB-O 3.45Å; S156-K160 PolarHBondContact N-O 3.07Å; S156-K160 PolarHBondContact OG-O 3.13Å; C158-K160 PolarHBondContact O-N 2.9Å
161H58.6Low53.9Low65 Ų6585.1 Ų85.130%0.30148%0.477SS..BIsolated β-bridgetrans-70.6142164.1-54.5-86.5000108.9E129 K155 G159 T163E129-H161 WeakPolarHBondContact CG-NE2 3.46Å; E129-H161 IonicContact OE1-CD2 3.91Å; E129-H161 PolarHBondContact OE1-CD2 3.29Å; E129-H161 IonicContact OE1-NE2 2.77Å; E129-H161 PolarHBondContact OE1-NE2 3.08Å; K155-H161 WeakPolarHBondContact CD-CE1 3.48Å; K155-H161 PolarHBondContact NZ-NE2 3.37Å; G159-H161 PolarHBondContact O-N 3.43Å; H161-T163 HydrophobicContact CB-CG2 3.98Å
162T56.9Low53.2Low64 Ų6487 Ų8739%0.39349%0.492SS..PPolyproline II helixtrans-98.9135159.2810000107.5T152 T153 A154T152-T162 CarbonylContact C-O 3.48Å; T153-T162 CarbonylContact C-O 3.57Å; T153-T162 WeakPolarHBondContact CA-O 3.41Å; T153-T162 PolarHBondContact N-O 3.33Å; T153-T162 PolarHBondContact O-OG1 3.06Å; T153-T162 PolarHBondContact OG1-O 3.11Å; T153-T162 VanDerWaalsContact OG1-O 3.11Å; T153-T162 PolarHBondContact OG1-OG1 2.93Å; A154-T162 PolarHBondContact O-N 3.39Å
163T58.8Low52.1Low1 Ų189.9 Ų89.91%0.00650%0.504CS..  trans-135.9131.4-173.962.50000109.6V123 I126 N127 T152 H161V123-T163 VanDerWaalsContact CG1-OG1 3.29Å; V123-T163 WeakPolarHBondContact CG1-OG1 3.47Å; I126-T163 HydrophobicContact CG2-CG2 3.99Å; N127-T163 VanDerWaalsContact OD1-CG2 3.26Å; N127-T163 WeakPolarHBondContact OD1-CG2 3.46Å; N127-T163 PolarHBondContact OD1-OG1 3Å; T152-T163 HydrophobicContact CG2-CG2 3.81Å; H161-T163 HydrophobicContact CB-CG2 3.98Å
164K61Low52Low116 Ų11695.3 Ų95.350%0.50453%0.53SS..EExtended strand (participates in β ladder)trans-112121.8179.6-68.3-171.8178.6-174.50108.6I151 T153 Y166I151-K164 PolarHBondContact N-O 3.47Å; I151-K164 PolarHBondContact O-N 2.95Å; T153-K164 HydrophobicContact CG2-CD 4.34Å; T153-K164 HydrophobicContact CG2-CG 4.42Å; K164-Y166 HydrophobicContact CB-CD2 4.36Å; K164-Y166 HydrophobicContact CB-CE2 3.59Å
165Q62.6Low51.5Low36 Ų3699.7 Ų99.717%0.16854%0.543CS..EExtended strand (participates in β ladder)trans-91.1124177.7177.5172.5-29.600110.1V123 V148V123-Q165 HydrophobicContact CG2-CB 3.79Å; V148-Q165 HydrophobicContact CG1-CG 3.74Å
166Y57.5Low50.8Low117 Ų11797.6 Ų97.646%0.45955%0.552SS.*EExtended strand (participates in β ladder)trans-110.593.5171.9-64.4-93.4000107.4I149 I151 K164 N168I149-Y166 WeakPolarHBondContact CB-O 3.33Å; I149-Y166 PolarHBondContact N-O 3.18Å; I149-Y166 CarbonylContact O-C 3.58Å; I149-Y166 PolarHBondContact O-N 2.69Å; I151-Y166 HydrophobicContact CB-CD2 4.23Å; I151-Y166 HydrophobicContact CB-CE2 4.05Å; I151-Y166 HydrophobicContact CD1-CD2 3.72Å; I151-Y166 HydrophobicContact CD1-CE2 3.65Å; I151-Y166 HydrophobicContact CG1-CD2 3.78Å; I151-Y166 HydrophobicContact CG1-CE2 3.95Å; K164-Y166 HydrophobicContact CB-CD2 4.36Å; K164-Y166 HydrophobicContact CB-CE2 3.59Å; Y166-N168 PolarHBondContact O-N 3.4Å
167L56Low49.9Very low80 Ų80101.1 Ų101.142%0.41958%0.575SS.*EExtended strand (participates in β ladder)trans-72.6109.5168.7-175.477.7000107K146 V148K146-L167 HydrophobicContact CB-CD1 4.03Å; K146-L167 HydrophobicContact CD-CD1 4.36Å; K146-L167 HydrophobicContact CG-CD1 4.33Å; V148-L167 HydrophobicContact CG2-CD1 4.11Å
168N54.1Low49.1Very low103 Ų103102.5 Ų102.555%0.55157%0.568SS**PPolyproline II helixtrans-95167-177.5-157.917.5000112I149 Y166I149-N168 HydrophobicContact CD1-CB 4.3Å; Y166-N168 PolarHBondContact O-N 3.4Å
169M37.4Very low48.3Very low142 Ų142103.2 Ų103.270%0.757%0.574SS**PPolyproline II helixtrans-52.5155.1-171.7-73.6-68.4-167.600114.9
170P39.5Very low47.9Very low96 Ų96107.4 Ų107.462%0.62360%0.595SS**SBendtrans-55.2160.1157.729.1-36.5000110.5V172P170-V172 PolarHBondContact O-N 2.92Å
171P45.2Very low46.8Very low115 Ų115104.2 Ų104.275%0.74760%0.596SS**PPolyproline II helixtrans-55127.2178.723.9-34.4000110.5D173P171-D173 PolarHBondContact O-N 3.08Å
172V44.8Very low45.4Very low119 Ų119107.4 Ų107.472%0.72162%0.62SS**PPolyproline II helixtrans-71.7116.5163.9175.50000106.1P170 I174P170-V172 PolarHBondContact O-N 2.92Å; V172-I174 PolarHBondContact O-N 3.04Å; V172-I174 VanDerWaalsContact O-N 3.08Å
173D37.3Very low44.1Very low147 Ų147109.5 Ų109.579%0.78664%0.636SS**  trans-59.6113.5173.5-69.4-52000109.1P171 D175P171-D173 PolarHBondContact O-N 3.08Å; D173-D175 VanDerWaalsContact C-N 3.33Å; D173-D175 PolarHBondContact O-N 2.65Å
174I53.3Low43.1Very low164 Ų164115.6 Ų115.684%0.84167%0.674SS**  trans-8282.4-178.3-55.3-179.9000108.5V172V172-I174 PolarHBondContact O-N 3.04Å; V172-I174 VanDerWaalsContact O-N 3.08Å
175D43.3Very low41.9Very low163 Ų163115.9 Ų115.987%0.87269%0.686SS**  trans-122.285.6166.7-109.2-34.9000110.7D173D173-D175 VanDerWaalsContact C-N 3.33Å; D173-D175 PolarHBondContact O-N 2.65Å
176G39.1Very low41Very low63 Ų63120.5 Ų120.565%0.64972%0.718SS**  trans56.2109.8155.700000119.9
177C31Very low40Very low112 Ų112120 Ų12076%0.75773%0.732SS**  -174.5136.7102.4-93.40000114.9
178H32.1Very low39Very low175 Ų175125.7 Ų125.781%0.8176%0.757SS**  trans50.4118153.5-51.4-50.7000121.6
179S37.1Very low38.4Very low109 Ų109127.6 Ų127.676%0.76277%0.765SS**  trans-73.8154.2149.750.80000111.1
180P44.3Very low38.2Very low123 Ų123128.4 Ų128.480%0.79977%0.773SS**  -121.3145.395.41.619.6000111.2
181A32.2Very low37.9Very low79 Ų79129.5 Ų129.565%0.65377%0.772SS**  78.890.156.400000114.8
182T29.7Very low37.2Very low131 Ų131132.7 Ų132.780%0.80477%0.774SS**  trans69.3151.5136.1-30.80000120.8
183C29.4Very low36.5Very low108 Ų108133 Ų13373%0.7378%0.776SS**  trans80.1143.2168.7-55.80000116.8
184T37.6Very low36.1Very low129 Ų129130.1 Ų130.179%0.79177%0.773SS**  cis-163.2164.9-22.820.20000107.1
185T36.1Very low35Very low123 Ų123127.9 Ų127.976%0.75577%0.772SS**  trans-65.2136.9177.347.20000114.1
186P44Very low34.5Very low132 Ų132125.3 Ų125.386%0.85777%0.767SS**  trans-91.5107.7158.933.2-26.7000110.2
187S36.4Very low34.6Very low108 Ų108128 Ų12876%0.75577%0.773SS**  trans-133.885.4172.5-71.40000110.2
188E35Very low34.4Very low198 Ų198130 Ų13093%0.92578%0.776SS**  trans-150.4152153.9-129.9160-150.700110.1
189I42Very low34.2Very low144 Ų144125.3 Ų125.374%0.73876%0.762SS**  trans-128135.3-167.5-61.8164.8000106.9I191I189-I191 HydrophobicContact CG2-CD1 4.18Å; I189-I191 HydrophobicContact CG2-CG1 3.76Å
190D32.6Very low33.7Very low159 Ų159128.6 Ų128.685%0.8577%0.765SS**  trans-146.1158.1142.5-135.4-29.5000112.8
191I33.1Very low32.8Very low118 Ų118127.2 Ų127.261%0.60576%0.758SS**  trans-132127-158.1-44.6170.7000109.8I189I189-I191 HydrophobicContact CG2-CD1 4.18Å; I189-I191 HydrophobicContact CG2-CG1 3.76Å
192K31.3Very low32.6Very low182 Ų182127.5 Ų127.579%0.79176%0.756SS**  trans178.4117.6132.3-97.3145.6-158.21560116.4
193T29.4Very low32.5Very low125 Ų125129.4 Ų129.477%0.76776%0.755SS**  45.8118.5129.361.70000121.9
194A28.2Very low32.4Very low88 Ų88130.4 Ų130.473%0.72776%0.758SS**  118.8145.1117.600000119.3
195S32Very low32Very low116 Ų116132.2 Ų132.281%0.81176%0.758SS**  trans56.6114.9158.345.40000120
196S31.4Very low31.9Very low110 Ų110132.4 Ų132.477%0.76975%0.754SS**  trans-67.5163.814459.60000110.2
197P42.4Very low31.2Very low120 Ų120131.9 Ų131.978%0.77975%0.748SS**  -146163.483.638.4-21000117.1
198L27Very low30.8Very low154 Ų154133.5 Ų133.581%0.80675%0.747SS**  trans5.3120.3147.8-100.868.7000121.6
199S26.9Very low30.6Very low76 Ų76133 Ų13353%0.53174%0.743SS.*  62.1146.9116.668.90000123.5
200H25.9Very low29.8Very low178 Ų178129.2 Ų129.282%0.82474%0.739SS**  trans72.6149.5168.1-50.5-70.8000115.6
201S26.9Very low29.8Very low94 Ų94131.3 Ų131.366%0.65774%0.741SS**  cis-163.9168.9-24.753.60000109.9
202S27.2Very low29.7Very low85 Ų85133.4 Ų133.459%0.59475%0.746SS**  trans39.8115.7146.459.60000120.8
203E27.5Very low29.7Very low170 Ų170130.7 Ų130.779%0.79474%0.74SS**  70.2106.1125.6-63.4172160.800118.7
204T28.3Very low29.7Very low129 Ų129132.7 Ų132.779%0.79175%0.745SS**  90.3130.9101.456.90000114.8
205E28.7Very low29.7Very low167 Ų167136 Ų13678%0.7875%0.745SS**  -160.6135.3120.2-98.9-156.1146.700112.6
206L34.3Very low29.6Very low128 Ų128137 Ų13767%0.6774%0.741SS**  trans45.9100.2136.3-54.1-179.7000119.8
207T28.4Very low29.4Very low120 Ų120137.6 Ų137.674%0.73674%0.74SS**  78.3106.772.262.60000117.2
208L28.5Very low28.8Very low142 Ų142135 Ų13574%0.74374%0.735SS**  trans-176.5135.2142.2-123.856.8000106.4
209F29.9Very low29Very low189 Ų189132.7 Ų132.783%0.82973%0.732SS**  cis-139.4171.118.9-82.1-95.1000112.5
210G25.7Very low29.3Very low64 Ų64136.3 Ų136.366%0.6675%0.745SS**  trans-72.7178.2159.200000112.5
211F32.1Very low29.8Very low202 Ų202135.2 Ų135.289%0.88675%0.745SS**  cis-140.7-177.826.7-87.4-99.3000109.7
212K32.4Very low30Very low163 Ų163137.6 Ų137.671%0.70975%0.751SS**  cis-162.6154.624.6-146.9175.1-178-75.20112.1
213D29.7Very low30Very low124 Ų124138 Ų13866%0.66375%0.749SS**  trans21.7124.1159.6-44.4-15.3000123.2
214L30.5Very low30Very low167 Ų167141.5 Ų141.587%0.87476%0.756SS**  -168.5178124-156.849.7000112
215E27.3Very low30.3Very low157 Ų157141.8 Ų141.873%0.73475%0.753SS**  trans-131.9162.9-161.6-69.5-178.596.400111.8
216L31Very low31.6Very low139 Ų139139.8 Ų139.873%0.72875%0.754SS**  cis-162.9-165.2-5.8-114.7176.5000111.2
217T27.3Very low31.1Very low121 Ų121137.2 Ų137.274%0.74276%0.759SS**  trans0.2150.4151.9-41.50000120.3
218G29.8Very low31.4Very low66 Ų66136.8 Ų136.868%0.6876%0.761SS**  cis128.6154.80.200000114.7
219S30.1Very low32.4Very low105 Ų105135.4 Ų135.473%0.73476%0.76SS**  trans84.2110.8164.1-172.40000122.9
220N33.6Very low32.5Very low153 Ų153132.1 Ų132.182%0.81876%0.755SS**  trans59.3161.9131.9-55.2-1.1000124.8
221D36.2Very low32.7Very low155 Ų155140.4 Ų140.483%0.82977%0.767SS**  trans-66.7156.9-174.2-56.9-74.6000116.8
222D31.3Very low32.8Very low143 Ų143140.1 Ų140.177%0.76577%0.765SS**  179154.792-144.3-37000114.8
223T27.4Very low33.3Very low93 Ų93138 Ų13857%0.57177%0.767SS**  trans53.3135151.911.80000128
224W27.4Very low33.4Very low244 Ų244136.2 Ų136.292%0.92477%0.77SS**  trans71.1139.1143.3-92.1-52.2000125.3
225D33.7Very low33.4Very low136 Ų136137 Ų13773%0.72777%0.774SS**  trans-118.7144.9167.2178.249.3000107
226P57Low33.8Very low124 Ų124133.5 Ų133.581%0.80577%0.773SS**  -156.3164.588.140.5-20.6000118
227G24.4Very low35Very low75 Ų75132.4 Ų132.477%0.77377%0.774SS**  trans-177128.6160.400000117.1
228S34.3Very low35.1Very low111 Ų111136.6 Ų136.678%0.77678%0.781SS**  trans-126.8161170.173.40000110.8
229P49.4Very low34.9Very low112 Ų112136.8 Ų136.873%0.72778%0.783SS**  -159.7143.7100.339-18.5000119.6
230V31.2Very low36Very low121 Ų121137.5 Ų137.573%0.73379%0.786SS**  55.9122127-1790000122.6
231R29.8Very low36Very low238 Ų238140.1 Ų140.190%0.89879%0.79SS**  155.9155112.7-121.5155.8-166.31643116.3
232K34.8Very low35.7Very low195 Ų195140.6 Ų140.685%0.84879%0.791SS**  trans-105.6-173.8167.2-58.8176.6179.21780109.2
233P42.9Very low36.5Very low118 Ų118138.9 Ų138.977%0.76679%0.788SS**  cis-123.9-172.7-8.145-29.5000112.5
234A32.6Very low36.6Very low87 Ų87143.2 Ų143.272%0.71980%0.802SS**  cis91.698.14.400000120.2
235L29.7Very low36.8Very low183 Ų183135.9 Ų135.996%0.95879%0.794SS**  trans-159.8169.6163-141.775.5000113.2
236A36Very low37.8Very low85 Ų85134.6 Ų134.670%0.70279%0.792SS**  trans-117.8-154.3178.300000110.4
237P56.6Low37.4Very low115 Ų115133.3 Ų133.375%0.74778%0.784SS**  cis-140.3-173.8-11.844-26.1000115.6
238K29Very low37.8Very low209 Ų209140.7 Ų140.791%0.90979%0.789SS**  trans170.4156.3133.9-95.5170.2-177.5-179.60114.7
239G26.5Very low37.7Very low70 Ų70141 Ų14172%0.72278%0.781SS**  trans-128-146.1168.100000110.6
240P53.3Low36.9Very low121 Ų121144.1 Ų144.179%0.78678%0.783SS**  cis-140-174.5-5.644.5-27.8000115.1
241K31.7Very low36.7Very low208 Ų208143.7 Ų143.790%0.90479%0.785SS**  trans-175.5163.9137.4-102.9163.6-174.8-179.90113.6
242L31.3Very low37.5Very low164 Ų164138.1 Ų138.186%0.85978%0.78SS**  trans-138.1175.5-174.6-91.2168.3000108.9
243P48.1Very low38.8Very low107 Ų107134.6 Ų134.670%0.69578%0.777SS**  cis-115.4-154.79.726.1-0.5000111.7
244Q30Very low38.1Very low184 Ų184134.7 Ų134.786%0.8678%0.78SS**  cis-144.3-17816.5-68.8-179.2-18.100112.7
245A31.6Very low38.1Very low91 Ų91137.5 Ų137.575%0.75278%0.783SS**  trans-162.2-170.7178.500000108.9
246P54.7Low38.2Very low108 Ų108135.8 Ų135.870%0.70177%0.771SS**  cis-130.8-143.7-9.344.7-25000110
247P47.8Very low38Very low97 Ų97139 Ų13963%0.6377%0.771SS**  cis-137.4142.2-17.835-14.5000118.3
248W31.9Very low36.9Very low230 Ų230141 Ų14187%0.87177%0.771SS**  66.4162.7129.9-65.636.3000120.7
249I32.8Very low36.9Very low119 Ų119137.8 Ų137.861%0.6176%0.764SS**  cis-154141.6-34.2-111179.2000110.6
250K32.6Very low36.9Very low176 Ų176146.4 Ų146.477%0.76577%0.774SS**  trans26.4133.4154.4-51.5175.6-178.7178.70124.4
251S28.2Very low35.7Very low113 Ų113147.3 Ų147.379%0.7978%0.777SS**  trans78.7154.2130.959.10000123.3
252P44.8Very low35.5Very low120 Ų120141.8 Ų141.878%0.77977%0.77SS**  trans-118.6-152.8-173.537.4-14.9000112.5
253P63.1Low35.3Very low121 Ų121138.4 Ų138.479%0.78676%0.761SS**  -124.5163.9-86.139.8-25.1000114.7
254S28.5Very low34.3Very low120 Ų120140.8 Ų140.884%0.83977%0.766SS**  trans-159.6149164.858.70000116.2
255L32.3Very low34.2Very low147 Ų147138.9 Ų138.977%0.7776%0.758SS**  trans-42.4149.4174.7-65.5144.1000117.6
256M32Very low34.1Very low146 Ų146141.6 Ų141.672%0.71976%0.755SS**  174.2130.799.7-85-54.9174.800115.3
257H32.2Very low32.9Very low152 Ų152144.9 Ų144.970%0.70476%0.761SS**  trans45.9128.8143.7-7488.7000126.4
258Q32.6Very low32.2Very low157 Ų157146.6 Ų146.673%0.73476%0.764SS**  trans89114.8133.9-74.1-179.522.700124.6
259N28.7Very low32.1Very low142 Ų142143 Ų14376%0.75976%0.757SS**  56110.9126.9-59.5-12.2000122.8
260R26.5Very low31.9Very low252 Ų252144.2 Ų144.295%0.95177%0.765SS**  -158.2179.6111.3-125.2-177-178.3-157-1.1113.5
261V29.5Very low31.7Very low140 Ų140142.3 Ų142.385%0.84876%0.761SS**  trans-124.9137.2-164.6174.70000111.5
262A27.4Very low32Very low91 Ų91142.8 Ų142.875%0.75276%0.76SS**  trans148.6159.5155.300000109.8
263S25.6Very low32.2Very low94 Ų94142.3 Ų142.366%0.65776%0.757SS**  cis176.7145.4-36.757.10000107.4
264L27.8Very low30.8Very low156 Ų156144.8 Ų144.882%0.81776%0.758SS**  trans68.2158.7171.9-54.1174.6000114.6
265Q27.3Very low31.4Very low145 Ų145147.7 Ų147.768%0.67876%0.758SS**  cis-169.6164.2-23.3178.2175.5-77.700108.8
266E29.6Very low31.7Very low148 Ų148148.3 Ų148.369%0.69276%0.757SS**  trans64.8160.5174.4-77.8144.512200115.5
267E30Very low31.9Very low177 Ų177148.3 Ų148.383%0.82776%0.759SS**  cis-115.5167.53.4-69.9172.510800109.6
268L32.4Very low31.7Very low133 Ų133144.2 Ų144.270%0.69675%0.748SS**  cis64.113844.9-55-176.4000113.1
269Q30.3Very low31.9Very low154 Ų154145.7 Ų145.772%0.7275%0.748SS**  cis-152.9-144-9.4-140.8167.314.600111.9
270D27.8Very low32.1Very low145 Ų145146.3 Ų146.378%0.77574%0.744SS**  trans79.8137.2173.7-59-9.2000119.5
271I28.9Very low32.5Very low136 Ų136139.6 Ų139.670%0.69773%0.731SS**  -179.1153.8-51.4-92.9163.3000106.4
272T33.8Very low32.6Very low123 Ų123140.5 Ų140.576%0.75573%0.731SS**  trans-102.8-140.1-17662.70000109.9
273P49.7Very low32.6Very low110 Ų110139.6 Ų139.671%0.71473%0.73SS**  cis-90.3-142-9.718.75.5000110.1
274E34.3Very low33.2Very low172 Ų172143.7 Ų143.780%0.80474%0.744SS**  cis-140.6176.82.9-67.8174131.800107.7
275E40.2Very low33.5Very low182 Ų182140.9 Ų140.985%0.8574%0.743SS**  cis-142.4174.77.8-153.8176.2-178.600110.8
276E39.1Very low34.1Very low159 Ų159142.1 Ų142.174%0.74375%0.754SS**  trans-84.9-179.4-159-43.2-166.7117.100115.3
277L35.3Very low34.4Very low147 Ų147139.9 Ų139.977%0.7775%0.754SS**  cis-148.7134.244.2-68.6161.9000109.5
278S29.8Very low34.9Very low66 Ų66140.7 Ų140.746%0.46276%0.755SS.*  56.6127.470.896.40000112.5
279Y36Very low35Very low187 Ų187145.1 Ų145.173%0.73376%0.762SS**  cis-165.3172.128.7-92-47.9000108.6
280K32.1Very low35.2Very low156 Ų156147.5 Ų147.568%0.67877%0.77SS**  cis-163.8-176.5-11.3-124.7155.5-172.1155.20104.9
281T34.6Very low35.6Very low111 Ų111147.9 Ų147.968%0.68177%0.771SS**  cis-146.4155.113.439.40000111.2
282N32Very low35.7Very low159 Ų159147.5 Ų147.585%0.8578%0.775SS**  trans18.3140.4143.4-42.2-12.6000120
283G28.8Very low35.6Very low71 Ų71153.3 Ų153.373%0.73278%0.783SS**  cis171.91656.700000107.1
284L37.8Very low35Very low181 Ų181156.8 Ų156.895%0.94879%0.79SS**  cis-148.7166.434.1-76.3157.6000110.3
285A34.1Very low35Very low97 Ų97157.7 Ų157.780%0.80279%0.794SS**  trans-83.1152.7176.100000113.3
286L39.5Very low34.9Very low171 Ų171154.4 Ų154.490%0.89579%0.791SS**  trans-154.7115.7148.8-112.8176.8000113.7
287S36.8Very low34.9Very low100 Ų100154.7 Ų154.770%0.69980%0.796SS**  trans32.2124.8150.6-155.30000122.2
288K39.9Very low34.9Very low194 Ų194154.4 Ų154.484%0.84380%0.795SS**  trans-70.2137.5156.2-62.8173.8-179.3173.70110.3
289R33.9Very low35.8Very low227 Ų227157.7 Ų157.786%0.85781%0.812SS**  trans-150.9128.2151.6-123.4174.8-169.4165.64.7113
290F34.3Very low36.1Very low203 Ų203156.8 Ų156.889%0.8981%0.812SS**  trans-78.5135.9163.2-69.4-99.9000108.9
291I35.6Very low36.4Very low153 Ų153156.3 Ų156.379%0.78582%0.817SS**  trans-134.6128.2160.4-64.9-174.8000108.8
292T32.8Very low36.9Very low128 Ų128158.1 Ų158.179%0.78583%0.828SS**  trans-72.9130.1174.546.40000111H294T292-H294 PolarHBondContact O-N 3.41Å
293R31Very low37.5Very low246 Ų246154.4 Ų154.493%0.92882%0.819SS**  trans-75.7118.2171.8-82.8-171170.6-151.4-2111.3
294H36.7Very low38.3Very low183 Ų183159.7 Ų159.785%0.84783%0.825SS**  trans-142.7157.9152.7-101.5-88.3000109.5T292T292-H294 PolarHBondContact O-N 3.41Å
295Q35.3Very low38.4Very low190 Ų190159.3 Ų159.389%0.88882%0.822SS**  trans73136176.2-65.2179.3-9.600117.9
296S36.8Very low38.7Very low113 Ų113163 Ų16379%0.7983%0.828SS**  trans-69.5154176.243.80000113.1
297I40.2Very low38.8Very low165 Ų165166.6 Ų166.685%0.84683%0.829SS**  trans-115.5136158.2-80.4174.9000108
298D35.5Very low38.8Very low141 Ų141165.9 Ų165.975%0.75483%0.829SS**  trans-82155.1176.8-169.815.4000110.7K300D298-K300 PolarHBondContact O-N 2.88Å
299V47.1Very low38.4Very low135 Ų135166.8 Ų166.882%0.81883%0.834SS**  trans-94.5103.6-172.9179.30000110.7
300K42.3Very low38.2Very low168 Ų168163.6 Ų163.673%0.7383%0.833SS**  trans-150.7154.3165.5-109.1156.2-171.7166.10112.9D298D298-K300 PolarHBondContact O-N 2.88Å
301D40.3Very low38.2Very low146 Ų146163.2 Ų163.278%0.78184%0.835SS**  trans63.852.4158.3-51.1-21.2000119.1A303D301-A303 VanDerWaalsContact C-N 3.33Å; D301-A303 PolarHBondContact O-N 3.29Å
302T44.8Very low37.9Very low150 Ų150160.6 Ų160.692%0.9284%0.836SS**  trans-93.851.8157.358.60000112.3
303A44.7Very low37.7Very low80 Ų80159.3 Ų159.366%0.66183%0.832SS**  trans-105.47-177.900000114.6D301D301-A303 VanDerWaalsContact C-N 3.33Å; D301-A303 PolarHBondContact O-N 3.29Å
304H45.3Very low37.7Very low183 Ų183152.7 Ų152.785%0.84782%0.824SS**SBendtrans-135.544.4-173.8-81.6-66.2000114.8
305L40.2Very low37.5Very low172 Ų172154.3 Ų154.390%0.90182%0.822SS**  trans-128.128.7168.7-74.8178.5000114.1
306L40.3Very low37.4Very low174 Ų174154.3 Ų154.391%0.91182%0.819SS**  trans-121.755.8171.8-71.4175.4000111.9
307R40.8Very low37Very low248 Ų248157.2 Ų157.294%0.93682%0.822SS**  trans-150.666.3166.7-77.9-159.1-178175.52.1112.4
308A36.1Very low36.5Very low84 Ų84154.6 Ų154.669%0.69482%0.819SS**SBendtrans-154.3147.116000000109
309F32.8Very low36.3Very low213 Ų213158.4 Ų158.493%0.93482%0.824SS**  trans59.560.2179.7-66-79.8000116.4
310D30.2Very low35.4Very low160 Ų160159.5 Ų159.586%0.85683%0.826SS**  trans-134.675.2156.9-158.5-2.1000110.5
311Q33.3Very low35.1Very low196 Ų196159.5 Ų159.592%0.91683%0.828SS**  trans-170.696.8165.2-116.2172.854.500113
312A29.9Very low34.6Very low98 Ų98160.3 Ų160.381%0.8183%0.831SS**SBendtrans-178.6115.6141.100000112.1
313S27.3Very low33.9Very low101 Ų101159 Ų15971%0.70682%0.818SS**  trans32.192.1153.7-174.40000117.6
314S31.1Very low33.2Very low107 Ų107165.2 Ų165.275%0.74883%0.826SS**  47.494.559.9-167.70000116.2
315R32.9Very low32.4Very low216 Ų216163.2 Ų163.282%0.81582%0.817SS**  trans-171.1110.6136.7-115173.1-80.5-166-3.3115.9
316K32.8Very low31.7Very low190 Ų190159.4 Ų159.483%0.82680%0.804SS**  trans52.9159.1134.7-69.1-168.8174.4-171.70123.2
317M29.7Very low31Very low174 Ų174157.4 Ų157.486%0.85780%0.804SS**  trans71.1117.1172-70.8156159.300114.3
318S28.8Very low30.4Very low110 Ų110152.9 Ų152.977%0.76980%0.797SS**  cis93.6136.436.177.30000113.6
319Y30.9Very low30Very low221 Ų221154.8 Ų154.887%0.86781%0.806SS**  trans-53.8148.5-177.4-118.6-109.5000113.2
320D29.5Very low29.8Very low159 Ų159153.4 Ų153.485%0.8580%0.802SS**  -153.7167.2125.9-124.2-28.7000112.6
321E34.7Very low29.6Very low168 Ų168149.4 Ų149.479%0.78580%0.798SS**  trans-97.6153-173.4-178.9171.6-140.700112.1
322I30.7Very low29.3Very low163 Ų163147.9 Ų147.984%0.83680%0.796SS**  trans-175.2147.9148.5-101.3153.4000112.8
323N29.5Very low29.4Very low121 Ų121151.6 Ų151.665%0.64780%0.797SS**  trans-105.1139.9-179.6149.360.2000111.7
324Y30.1Very low29.3Very low211 Ų211156.3 Ų156.383%0.82781%0.808SS**  trans-162.1157.1158.5-101.2-77.1000111
325Q29.3Very low29.1Very low142 Ų142156.8 Ų156.866%0.66481%0.81SS**  -167143.4-74.7161172.7-1.800110.4
326S25.6Very low28.9Very low91 Ų91154.1 Ų154.164%0.63681%0.81SS**  trans61.8132.7158.4-164.50000120.4
327C25.4Very low28.5Very low133 Ų133153.4 Ų153.490%0.89981%0.81SS**  -156.3134.7111.3-121.10000111.2
328L27.5Very low28.7Very low153 Ų153151.2 Ų151.280%0.80181%0.806SS**  trans-94.9160.2177.3-72.1161.5000111.1
329S27.4Very low29.6Very low124 Ų124151.1 Ų151.187%0.86780%0.803SS**  trans-150.5144.6144-144.70000110
330E28.6Very low29.6Very low184 Ų184145 Ų14586%0.8680%0.798SS**  trans-99.9162.5-168.3-64.2164.8111.400112
331G26Very low29.7Very low75 Ų75144.7 Ų144.777%0.77380%0.796SS**  trans-149.54.3-170.700000118
332N27.2Very low29.5Very low164 Ų164145 Ų14588%0.87780%0.797SS**  trans60.1157.8174.3-71.9-19000119.2
333Q31.4Very low29.4Very low177 Ų177144.6 Ų144.683%0.82780%0.797SS**  trans-116.1161.6-173.2-59.7155.3-63.900111
334Q26.8Very low30.5Very low199 Ų199143.6 Ų143.693%0.9380%0.797SS**  trans-155137.5139.3-111.6161.312.700110
335C26.1Very low30.4Very low118 Ų118140.6 Ų140.680%0.79780%0.795SS**  trans-118.4150.2179.5-66.70000110
336I28.6Very low30.6Very low159 Ų159137.9 Ų137.982%0.81579%0.793SS**  trans-133.6121.2164-60.9-178.4000109
337E24.9Very low30.8Very low175 Ų175141.1 Ų141.182%0.81880%0.803SS**  trans-4161148.5-66.9173.7143.400120.6
338V34.3Very low31.3Very low128 Ų128143 Ų14378%0.77680%0.798SS**  cis168.5172.6-18.290.70000106
339P46.3Very low31.5Very low108 Ų108141.3 Ų141.370%0.70179%0.794SS**  cis-132.3-161.7-22.943.4-25.5000114.1
340A32.2Very low32Very low93 Ų93142.6 Ų142.677%0.76979%0.79SS**  trans77.3144158.200000118.9
341D30.4Very low32.2Very low152 Ų152142.7 Ų142.781%0.81379%0.788SS**  cis-137179.37.4-150.6-8.3000113.2
342Q32.1Very low32.6Very low174 Ų174144.8 Ų144.881%0.81379%0.786SS**  trans-91.8132.5-157.5-60.9174.64.200117.7
343D27.5Very low33.2Very low155 Ų155143 Ų14383%0.82979%0.786SS**  21.1164.5113.1-78.8-23.7000121.9
344P52Low34.2Very low100 Ų100140 Ų14065%0.64978%0.78SS**  cis-136.3-174.3538.2-18.2000117.1
345D28.7Very low35.1Very low148 Ų148137.1 Ų137.179%0.79177%0.77SS**  trans70.7145.6150.3-70.8-26.5000122.1
346S33.1Very low36Very low86 Ų86141.8 Ų141.860%0.60177%0.771SS**  cis-164.7145.8-23.655.20000110.9
347N30.8Very low37Very low159 Ų159138.4 Ų138.485%0.8576%0.762SS**  trans154.2153.9135.6-86.6-70000114
348Q34.7Very low38.4Very low172 Ų172134.9 Ų134.980%0.80475%0.747SS**  trans-99.3149-168.7-57.2163.60.200112.2
349T31.8Very low39.2Very low117 Ų117133.4 Ų133.472%0.71874%0.738SS**  174.3146.610632.20000112.5
350I37.8Very low39.4Very low151 Ų151135.6 Ų135.677%0.77474%0.739SS**  trans-96.7136.6172.9-63.4164.7000108.4T352I350-T352 HydrophobicContact CG2-CG2 4.38Å
351F32.6Very low40.3Very low187 Ų187140.4 Ų140.482%0.8274%0.743SS**  trans-130108.8164.4-87.5-74.4000112.6
352T35.3Very low41.2Very low118 Ų118142.6 Ų142.672%0.72474%0.74SS**  trans-82.3118.4171.143.30000110.1I350 T354I350-T352 HydrophobicContact CG2-CG2 4.38Å; T352-T354 PolarHBondContact O-N 2.83Å
353S40.7Very low41.7Very low128 Ų128140.6 Ų140.690%0.89574%0.735SS**  trans-75.592.7-174.845.20000112.5
354T50.6Low42.8Very low114 Ų114141.3 Ų141.370%0.69974%0.738SS**  trans-69.8148.3180-8.30000112.5T352 R356 S357T352-T354 PolarHBondContact O-N 2.83Å; T354-R356 PolarHBondContact O-N 3.03Å; T354-S357 PolarHBondContact O-N 2.94Å
355L46.5Very low42.3Very low137 Ų137140.5 Ų140.572%0.71775%0.747SS**THydrogen-bonded Turntrans-53.6-14.2-176.1-77.8165.5000116.3S357 I358L355-S357 PolarHBondContact O-N 3.04Å; L355-I358 HydrophobicContact CD2-CD1 4.3Å; L355-I358 PolarHBondContact O-N 2.98Å
356R45.3Very low43.1Very low217 Ų217137.3 Ų137.382%0.81974%0.742SS**Hα-helixtrans-56.4-34.7-179.5-137173.5-163.9155.54.2113.3T354 I358 V359T354-R356 PolarHBondContact O-N 3.03Å; R356-I358 VanDerWaalsContact C-N 3.34Å; R356-I358 PolarHBondContact O-N 3.49Å; R356-V359 PolarHBondContact O-N 3.13Å
357S49.8Very low43.4Very low88 Ų88140 Ų14062%0.61575%0.749SS**Hα-helixtrans-62.8-36.6-179.6-179.20000113.3T354 L355 V359T354-S357 PolarHBondContact O-N 2.94Å; L355-S357 PolarHBondContact O-N 3.04Å; S357-V359 VanDerWaalsContact C-N 3.33Å; S357-V359 PolarHBondContact O-N 3.14Å
358I53.2Low43.8Very low101 Ų101142 Ų14252%0.51875%0.753SS.*Hα-helixtrans-73.5-26.9-174.5-61.7178.1000111.7L355 R356L355-I358 HydrophobicContact CD2-CD1 4.3Å; L355-I358 PolarHBondContact O-N 2.98Å; R356-I358 VanDerWaalsContact C-N 3.34Å; R356-I358 PolarHBondContact O-N 3.49Å
359V52.8Low43.7Very low96 Ų96144 Ų14458%0.58276%0.755SS**Hα-helixtrans-75.3-43.6-178.1-177.50000111.6R356 S357 K361 R362R356-V359 PolarHBondContact O-N 3.13Å; S357-V359 VanDerWaalsContact C-N 3.33Å; S357-V359 PolarHBondContact O-N 3.14Å; V359-K361 VanDerWaalsContact C-N 3.26Å; V359-K361 PolarHBondContact O-N 2.99Å; V359-R362 PolarHBondContact O-N 3.46Å
360Q48.8Very low43.9Very low155 Ų155143.1 Ų143.172%0.72475%0.753SS**Hα-helixtrans-62-33.5179.2-77.4-178.8-49.100112.7R362 N363Q360-R362 PolarHBondContact O-N 2.98Å; Q360-R362 VanDerWaalsContact O-N 3.13Å; Q360-N363 PolarHBondContact O-N 2.96Å
361K51Low43.7Very low193 Ų193141.3 Ų141.384%0.83975%0.754SS**THydrogen-bonded Turntrans-73.2-0.1-176.6-145.2176-175.2178.90114.9V359V359-K361 VanDerWaalsContact C-N 3.26Å; V359-K361 PolarHBondContact O-N 2.99Å
362R49.7Very low43.7Very low198 Ų198138.6 Ų138.675%0.74775%0.748SS**THydrogen-bonded Turntrans-98-10.7172.9-83.5-170.7167.396.1-4.2115V359 Q360V359-R362 PolarHBondContact O-N 3.46Å; Q360-R362 PolarHBondContact O-N 2.98Å; Q360-R362 VanDerWaalsContact O-N 3.13Å
363N44Very low43.6Very low133 Ų133138.7 Ų138.771%0.71175%0.754SS**SBendtrans-103.52.8-168.9-72.99000115.5Q360Q360-N363 PolarHBondContact O-N 2.96Å
364L50.2Low43.5Very low170 Ų170140 Ų14089%0.8975%0.746SS**  trans-110.6104.6166.4-98.870.5000108.7
365G41.9Very low42.6Very low82 Ų82142.2 Ų142.285%0.84575%0.752SS**  trans-169.430.2-168.900000116.5
366A43.8Very low41.9Very low82 Ų82141.5 Ų141.568%0.67876%0.758SS**  trans-152144.3170.100000112
367N39.5Very low41.2Very low143 Ų143136 Ų13677%0.76576%0.76SS**  trans64.1106.9161.9-49.7-26.7000118.3
368H39.1Very low40.2Very low199 Ų199135.2 Ų135.292%0.92177%0.765SS**  -160.4170.1101.5-91159.6000111.3
369Y34Very low39.1Very low216 Ų216139.1 Ų139.185%0.84779%0.786SS**  trans-136.6158.5-162.1173.7-90000110.1
370S34.7Very low38.1Very low98 Ų98141 Ų14169%0.68580%0.798SS**  trans65.2155.3-176.3740000115
371S35.1Very low37.9Very low112 Ų112139.2 Ų139.278%0.78380%0.8SS**  cis-132.7163.214.9-670000114.8
372D30.8Very low37.5Very low130 Ų130136.4 Ų136.470%0.69580%0.802SS**  trans-69.3155.4170-165.9-0.8000112.2
373S34.3Very low36.6Very low121 Ų121133.9 Ų133.985%0.84680%0.803SS**  trans-171.6108.5166.5-80.30000110.1
374Q39.2Very low36Very low156 Ų156134 Ų13473%0.72980%0.803SS**  trans-93.4144.9179.1-74.4-163.618.500113.8
375L31.8Very low35.1Very low159 Ų159133 Ų13383%0.83279%0.793SS**  trans60.1115.6151.2-64.2166.1000119.5
376S30.1Very low34.6Very low122 Ų122136.7 Ų136.785%0.85379%0.794SS**  -154.5149.4109.5510000111.9
377A32Very low34.1Very low103 Ų103136.3 Ų136.385%0.85180%0.798SS**  trans-88.9169.5165.700000108.9
378G28.8Very low33.9Very low71 Ų71139.6 Ų139.673%0.73281%0.805SS**  cis170.9151.30.700000108.4
379L29.7Very low33.4Very low182 Ų182135 Ų13595%0.95380%0.801SS**  trans-90.3115.6-169.6-74.3168.9000113.6
380T31.5Very low33.3Very low136 Ų136133 Ų13383%0.83480%0.804SS**  trans-161.2139.6150.390000109.6
381P45.6Very low33.3Very low117 Ų117134 Ų13476%0.7681%0.806SS**  trans-85.5165179.936.2-36.1000112.2
382P41.2Very low33Very low135 Ų135132.4 Ų132.488%0.87781%0.807SS**  -134.8-158.8104.140.5-30.8000113.2
383N30.4Very low33.3Very low144 Ų144134.8 Ų134.877%0.7781%0.812SS**  trans-126.1157.4-151.6-162.112.3000113.4
384L32.7Very low33.5Very low135 Ų135138.2 Ų138.271%0.70781%0.811SS**  trans79.4160.4149.1-14068.2000121.5
385E31.2Very low33.3Very low149 Ų149139.7 Ų139.770%0.69682%0.815SS**  trans79.195.6168.8-56.9-58.4112.700120.7
386D32Very low33.2Very low161 Ų161138.3 Ų138.386%0.86181%0.807SS**  51141128.7-94.533.1000124.5
387G32.1Very low33.1Very low73 Ų73140 Ų14075%0.75381%0.806SS**  trans163.640.6162.900000124.3
388K35.4Very low33Very low212 Ų212139.9 Ų139.992%0.92280%0.799SS**  trans43.7112.8155-67.3173.1-177.81670121.5
389A29.7Very low33.8Very low102 Ų102142.4 Ų142.484%0.84380%0.803SS**  trans-33.9155.1164.500000121.9
390L31.3Very low33.8Very low174 Ų174139.1 Ų139.191%0.91180%0.795SS**  trans-149.3158.2142.2-161.255000114.5
391V33.3Very low34.8Very low120 Ų120138.5 Ų138.573%0.72779%0.793SS**  trans-74.8151-168.9173.70000115.6K393V391-K393 HydrophobicContact CG1-CG 4.41Å
392G30.1Very low33.9Very low78 Ų78137.9 Ų137.980%0.80479%0.792SS**  trans-159.729.1178.200000121.5
393K37.7Very low33.4Very low180 Ų180139.8 Ų139.878%0.78379%0.789SS**  trans-34.7148.9-175.8-52.8171.5-178.2175.20120.3V391V391-K393 HydrophobicContact CG1-CG 4.41Å
394K37.7Very low33.3Very low193 Ų193139.4 Ų139.484%0.83979%0.786SS**  trans122.1129149.5-69.1167.8-174.8178.50113.5
395K34.4Very low33.1Very low187 Ų187136.9 Ų136.981%0.81378%0.78SS**  78.713555.1-83.4-160.2173-167.80113.4
396I30.4Very low32.9Very low130 Ų130137.7 Ų137.767%0.66778%0.784SS**  cis-168.6163-9.2-144.1171.2000111.4
397L28Very low33Very low159 Ų159133.8 Ų133.883%0.83277%0.768SS**  trans66.6151.9160.9-81.6168.7000122.8
398S29.9Very low33.1Very low99 Ų99137.4 Ų137.469%0.69276%0.764SS**  trans-103.1178.6162.8580000110.6
399P45.7Very low32.9Very low125 Ų125134.1 Ų134.181%0.81275%0.752SS**  -148.1-159.988.840.2-20.9000114.3
400S29.1Very low33Very low113 Ų113136.3 Ų136.379%0.7975%0.748SS**  trans-121.4-139.9-167.846.30000114.7
401P53.3Low32.9Very low123 Ų123135.2 Ų135.280%0.79974%0.742SS**  -128.4-173.7-107.942-24.1000116.5
402S26.6Very low32.7Very low104 Ų104136.7 Ų136.773%0.72774%0.742SS**  trans-143.5124.4171.541.30000110.1
403Q30.6Very low32.7Very low175 Ų175139.3 Ų139.382%0.81874%0.737SS**  74.213887.2-74.1-170.5-7.200114.2
404L29.3Very low32.5Very low136 Ų136139.2 Ų139.271%0.71274%0.742SS**  cis-154164.37.7-107.8154000112.5
405S27.7Very low33.1Very low82 Ų82135.3 Ų135.357%0.57374%0.736SS**  trans-11164.6139.5-67.60000120.7
406E26.4Very low33.8Very low166 Ų166132.4 Ų132.478%0.77674%0.736SS**  cis178.5-173.5-6.7-101.7-177.674.400109
407S34.5Very low33.8Very low78 Ų78129.7 Ų129.755%0.54574%0.74SS.*  cis-169.7178.8-35.560.60000110.1
408K34.4Very low34.5Very low150 Ų150128 Ų12865%0.65274%0.739SS**  trans71.8122.6164.7-66.3179.9152.9-70.90118
409E31.8Very low34.7Very low143 Ų143131.9 Ų131.967%0.66875%0.751SS**  87.2146.592-69.7159.6-167.800114.5
410L30.2Very low34.1Very low147 Ų147132.1 Ų132.177%0.7776%0.755SS**  cis-148.2-86.22.5-130.2169000117
411L30.3Very low34.3Very low151 Ų151136.8 Ų136.879%0.79176%0.756SS**  trans-125.6168.4-175-106.477.7000110.3
412E29.6Very low33.4Very low152 Ų152143 Ų14371%0.7176%0.763SS**  cis-170.316247.1-144.8-171.414500113.8
413N30Very low33.8Very low133 Ų133143 Ų14371%0.71176%0.755SS**  trans71164156.6-65.1-36.8000123.6
414M31.8Very low34.2Very low178 Ų178143.1 Ų143.188%0.87776%0.755SS**  trans-143.7-173-158.9-77.3-91.317200112.5
415P51.2Low34.6Very low110 Ų110140.1 Ų140.171%0.71475%0.75SS**  -112.5-178-86.941.2-24.3000112.4
416P48.2Very low35.1Very low127 Ų127143.4 Ų143.483%0.82576%0.76SS**  -160.6171.592.141.6-21.8000118.1
417G30.8Very low35.6Very low73 Ų73142.9 Ų142.975%0.75376%0.761SS**  trans84.9116.9135.700000120.8
418P44.3Very low36Very low124 Ų124145.6 Ų145.681%0.80577%0.766SS**  trans-101.2141.4173.536.5-31000114.2
419L33.8Very low36.1Very low179 Ų179148.2 Ų148.294%0.93777%0.771SS**  trans-146.9121.3167-76.1178.8000112.6
420S31.5Very low36.5Very low130 Ų130153.8 Ų153.891%0.90979%0.786SS**  trans-162.5156.3132.5-162.20000110.6
421R33.8Very low36.8Very low212 Ų212149.8 Ų149.880%0.878%0.781SS**  trans-145.2131.1-164.5-171.2-171.3-164.8-164.29.2110.1
422R34.9Very low37.2Very low252 Ų252149.2 Ų149.295%0.95179%0.789SS**  trans-148.3148.6169.8-124.8171.8-179.8145.71.3111.4
423N34.7Very low37.6Very low104 Ų104145.8 Ų145.856%0.55680%0.795SS**  trans-133.1147.2-159.3-76.50.9000111.8
424H39Very low37.8Very low178 Ų178144.2 Ų144.282%0.82480%0.801SS**  trans49150.3136.5-59.9-46.1000121.8
425A38.4Very low38.2Very low74 Ų74145.6 Ų145.661%0.61280%0.802SS**  cis-173.2156.5-1100000113.3
426I37.8Very low37.7Very low150 Ų150146.1 Ų146.177%0.76981%0.806SS**  trans54.2121.4142.4-60.6161.3000120.6
427L37.6Very low37.4Very low155 Ų155148.3 Ų148.381%0.81281%0.809SS**  -165.3149.7109.8-123.1112000115.1
428E41.8Very low37.5Very low135 Ų135152 Ų15263%0.63181%0.812SS**  trans-25.5176.7173.8-60.7-152.6112.800123.7
429R36.5Very low37.2Very low206 Ų206154.4 Ų154.478%0.77781%0.812SS**  cis179.4112.4-32.8-178-151.9-62.9-136.94.5110
430R41Very low36.9Very low259 Ų259151.7 Ų151.798%0.97781%0.808SS**  trans171.6144158.8-100.1170.3-169.5-165.84.2107.2
431G35.9Very low37.5Very low64 Ų64151.8 Ų151.866%0.6680%0.803SS**  cis170.9144.9-6.800000109.5
432S38.8Very low37.5Very low138 Ų138148.4 Ų148.497%0.96581%0.806SS**  trans71.5139.9-173.1-45.70000115.4
433G37.3Very low37.9Very low81 Ų81144.8 Ų144.884%0.83580%0.8SS**  cis16091.5-10.400000114.3
434A34.3Very low37.7Very low100 Ų100146.7 Ų146.783%0.82682%0.815SS**  trans-155.4132.9165.600000110.1
435F40Very low37.5Very low207 Ų207147.9 Ų147.991%0.90881%0.813SS**  trans-118.6142.4172.7-83.3-82.8000109.9
436P41.9Very low37.3Very low121 Ų121152.3 Ų152.379%0.78682%0.821SS**  trans-75.5161169.533.4-34.6000111.6
437L41.3Very low37.3Very low172 Ų172148.1 Ų148.190%0.90181%0.814SS**  trans-78.8145.7171.3-72.6158000110.9
438D32Very low37.5Very low150 Ų150150.8 Ų150.880%0.80282%0.82SS**  trans-147.4166.1152.7-143.2-31.8000110.7
439H38.2Very low37.8Very low176 Ų176152.3 Ų152.382%0.81583%0.831SS**  trans-80.6148.4-156.5-63.1-80.6000116.4
440S29.2Very low38.6Very low121 Ų121147.9 Ų147.985%0.84683%0.829SS**  trans-147.6148.514261.80000111.1
441V43.5Very low39Very low132 Ų132141.5 Ų141.580%0.882%0.821SS**  trans-129.1118.4-179.5172.80000109.2
442T32.9Very low39.4Very low141 Ų141146.4 Ų146.487%0.86583%0.832SS**  trans-143.4149.4158.644.30000109.8
443Q42.8Very low39.5Very low177 Ų177146.4 Ų146.483%0.82782%0.821SS**  trans-92.7152.4-179.9-59.1163.3-63.400110.6
444T31.3Very low39.8Very low144 Ų144148.2 Ų148.288%0.88382%0.815SS**  -171.9146.4123.416.80000114.9
445R34.5Very low40.2Very low203 Ų203150.3 Ų150.377%0.76681%0.813SS**  trans63.7107.1151.1-166171.2-68.7-88.511121.2
446Q35.5Very low40Very low167 Ų167144.2 Ų144.278%0.7880%0.796SS**  trans31.8129.7131.2-54.3172.2-53.500121
447G37.3Very low39.9Very low62 Ų62146.7 Ų146.764%0.63980%0.796SS**  trans148120143.500000116
448F42.1Very low40.3Very low211 Ų211143.2 Ų143.293%0.92578%0.784SS**  trans54.6114.1158.4-58-81000119.9
449L48.1Very low40.9Very low166 Ų166142.2 Ų142.287%0.86979%0.786SS**PPolyproline II helixtrans-85.3144.2149.6-71.6169000109.3
450P52.3Low40.7Very low113 Ų113141.2 Ų141.273%0.73479%0.785SS**PPolyproline II helixtrans-73137.5167.930.9-33.1000110.4
451P49.1Very low41Very low125 Ų125141 Ų14181%0.81278%0.783SS**PPolyproline II helixtrans-78.5141.1178.331.6-34000111.5
452L44.7Very low40.4Very low168 Ų168142.1 Ų142.188%0.8879%0.785SS**  trans-105.8136.5162.5-72.4178.9000109.9
453N42.2Very low40.5Very low137 Ų137142.4 Ų142.473%0.73378%0.78SS**  trans-60.1132.6-161.1-171.129.5000114.3N455N453-N455 PolarHBondContact ND2-OD1 2.99Å
454V43.3Very low39.9Very low120 Ų120141.5 Ų141.573%0.72778%0.781SS**  trans-117.6110.7168.4177.90000108.1
455N41.3Very low40Very low143 Ų143139.5 Ų139.577%0.76577%0.768SS**  trans-79.4126.9173.1-73.9-13.6000110.2N453N453-N455 PolarHBondContact ND2-OD1 2.99Å
456S36.2Very low39.8Very low80 Ų80136.6 Ų136.656%0.55977%0.768SS**  trans-150.3166.316755.20000111.2
457H39.5Very low39.7Very low172 Ų172134.7 Ų134.780%0.79676%0.763SS**  trans91.4147.7174.7-50.6-56.7000116.5
458P50.5Low39.5Very low100 Ų100140.9 Ų140.965%0.64977%0.772SS**  trans-128.5-179.7-131.144.3-32.4000114.8
459P44.3Very low39.1Very low129 Ų129138.1 Ų138.184%0.83877%0.765SS**PPolyproline II helixtrans-87122.715933.1-29000111.2
460I35Very low38.2Very low155 Ų155136 Ų13680%0.79576%0.763SS**PPolyproline II helixtrans-101.9140.9155.2-68.2177.1000106.8
461S35.4Very low37.2Very low115 Ų115135.8 Ų135.880%0.80476%0.764SS**PPolyproline II helixtrans-66.8138.8179.8-48.60000111.6
462D29.5Very low36.5Very low156 Ų156137.3 Ų137.383%0.83477%0.765SS**  trans-144.9157.3157.7-127.3-35.4000113.7
463I36Very low36Very low148 Ų148136.7 Ų136.776%0.75976%0.762SS**  trans-82.5133.1-157.6-64.1153.3000112.5
464N29.3Very low35.6Very low158 Ų158135.5 Ų135.585%0.84576%0.764SS**  trans-152.2160.6142.8-143-21.8000113.5
465V34.6Very low35.1Very low101 Ų101136 Ų13661%0.61277%0.772SS**  trans-111.2127.8-162.4175.80000112
466N30.8Very low34.6Very low143 Ų143133 Ų13377%0.76577%0.774SS**  trans-171.5112.8132.2-108.2-58.8000115.8
467N32.1Very low34.8Very low127 Ų127138.5 Ų138.568%0.67979%0.791SS**  trans24.8111.7131.3-60.3-54.5000120.6
468K33.1Very low34.8Very low191 Ų191140.3 Ų140.383%0.8380%0.796SS**  174.9142.9103.2-96.8167.6-177.6176.40114.5
469I34.6Very low34.2Very low153 Ų153142.3 Ų142.379%0.78581%0.806SS**  trans66.6117163.5-54.6151.8000114.6
470C28Very low33.8Very low123 Ų123144.3 Ų144.383%0.83181%0.809SS**  cis92.682.422.1-58.60000118.2
471S31.8Very low34Very low107 Ų107144.3 Ų144.375%0.74881%0.808SS**  trans-170.3122.3140.353.20000108.6
472L34Very low34.2Very low157 Ų157144.6 Ų144.682%0.82281%0.807SS**  60.8124.262.1-61.1179000111.8
473L34.8Very low34.4Very low156 Ų156143.7 Ų143.782%0.81781%0.807SS**  cis-144.9-175.11-85.3145.6000107.4
474S32.8Very low34.5Very low111 Ų111142.5 Ų142.578%0.77681%0.806SS**  cis-161.1176.724.4-162.10000112.4
475C32.8Very low35Very low132 Ų132140.5 Ų140.589%0.89280%0.802SS**  trans-88.8163.5-176.2-64.30000115.4
476G32.2Very low35.1Very low79 Ų79143.3 Ų143.381%0.81481%0.812SS**  trans-177.167.8172.100000115.6
477Q39.9Very low35.8Very low195 Ų195145.9 Ų145.991%0.91182%0.817SS**  trans-74.6134.5172.2-67.3170.8-70.200111.9
478K38.9Very low36.5Very low210 Ų210145.6 Ų145.691%0.91382%0.822SS**  trans-149.4144.9133.4-72.1-155.1177.7-1780110.3
479V39.5Very low36.7Very low142 Ų142145.8 Ų145.886%0.86182%0.823SS**  trans-101.4139.1174.8174.10000108.8
480L34.9Very low37.1Very low171 Ų171145.6 Ų145.690%0.89582%0.818SS**  trans-153.2163.1165.1-107.4172000111.6
481M38.8Very low37.8Very low156 Ų156149.6 Ų149.677%0.76882%0.822SS**  trans-78.1157.2-164-75-73.9-76.500115.3
482P38.9Very low38.7Very low120 Ų120153.5 Ų153.578%0.77983%0.826SS**  trans-70.6139.717430.6-35.5000111.9
483T35Very low39.4Very low137 Ų137150 Ų15084%0.8481%0.814SS**  trans-115.8143.4178.5-54.80000110.7
484V38Very low40.3Very low124 Ų124152 Ų15275%0.75282%0.816SS**PPolyproline II helixtrans-66.4135.7-173.8179.70000112
485P39.8Very low41.1Very low116 Ų116155.1 Ų155.175%0.75382%0.816SS**PPolyproline II helixtrans-72140.5175.129.6-34.9000112.5
486I35.8Very low42.1Very low160 Ų160156 Ų15682%0.82181%0.809SS**PPolyproline II helixtrans-90.4136.2-174.2-65.5166.9000111.2
487F46.8Very low42.9Very low197 Ų197160.4 Ų160.486%0.86481%0.813SS**PPolyproline II helixtrans-72.8131.3171.1-75.9-90.2000112.4
488P46.5Very low43.6Very low121 Ų121158.8 Ų158.879%0.78681%0.809SS**PPolyproline II helixtrans-87.2146.1158.833.6-30.6000111.5
489K37.4Very low44.3Very low195 Ų195159.9 Ų159.985%0.84881%0.808SS**PPolyproline II helixtrans-77.3155.2-178.6-90.8-177.7175.3178.10114.2
490E41.8Very low44.8Very low149 Ų149164.6 Ų164.670%0.69681%0.81SS**  trans-22.1133.4164.6-53.3174.5102.600117.5
491F42.4Very low45.4Very low206 Ų206164 Ų16490%0.90480%0.803SS**  trans-129.6117.2149.8-102.7-87.7000110.1S493F491-S493 PolarHBondContact O-N 3.36Å
492K52.1Low46.2Very low190 Ų190159.6 Ų159.683%0.82679%0.787SS**  trans-76.780.4-177.9-70.3176.7179.7170.80111.5
493S47.4Very low46.8Very low83 Ų83160 Ų16058%0.5878%0.782SS**  trans-92.2107.3169.662.20000111.3F491 K495F491-S493 PolarHBondContact O-N 3.36Å; S493-K495 VanDerWaalsContact C-N 3.27Å; S493-K495 PolarHBondContact O-N 3.39Å
494K54.8Low47.9Very low197 Ų197159.4 Ų159.486%0.85777%0.77SS**  trans-75.773.9-179.2-168.8179.8-177.9-179.40110.8M496K494-M496 PolarHBondContact O-N 3.1Å
495K50.4Low48.8Very low178 Ų178156.4 Ų156.477%0.77475%0.752SS**  trans-6892.1179.5-68.4-175.7-179.3179.80111.1S493 L497S493-K495 VanDerWaalsContact C-N 3.27Å; S493-K495 PolarHBondContact O-N 3.39Å; K495-L497 PolarHBondContact O-N 3.34Å
496M53.4Low49.7Very low150 Ų150157.4 Ų157.474%0.73975%0.747SS**  trans-64.9118.1168.2-72.4172.658.600109.5K494 L498K494-M496 PolarHBondContact O-N 3.1Å; M496-L498 PolarHBondContact O-N 3.27Å
497L49Very low50.7Low172 Ų172154.9 Ų154.990%0.90173%0.731SS**  trans-7298.3171.9-69.5174.9000109.1K495 R499K495-L497 PolarHBondContact O-N 3.34Å; L497-R499 PolarHBondContact O-N 3.31Å
498L53.7Low51.4Low160 Ų160150.6 Ų150.684%0.83872%0.716SS**  trans-62.7103.4172-80.4164.1000109.5M496 R500M496-L498 PolarHBondContact O-N 3.27Å; L498-R500 PolarHBondContact O-N 3.4Å; L498-R500 VanDerWaalsContact O-N 3.14Å
499R52.9Low51.9Low234 Ų234152.2 Ų152.288%0.88371%0.711SS**  trans-56.5115.6171.2-170.4180-166.6170.65108.1L497 Q501L497-R499 PolarHBondContact O-N 3.31Å; R499-Q501 PolarHBondContact O-N 3.49Å; R499-Q501 VanDerWaalsContact O-N 3.13Å
500R51.4Low52.9Low241 Ų241149.9 Ų149.991%0.90970%0.703SS**PPolyproline II helixtrans-53.2120.9175.1-66.9-175.6179.3-167.3-0.6108.4L498L498-R500 PolarHBondContact O-N 3.4Å; L498-R500 VanDerWaalsContact O-N 3.14Å
501Q47.2Very low53.7Low158 Ų158149.2 Ų149.274%0.73870%0.704SS**PPolyproline II helixtrans-69.2147.2178.2-69.2-173.8-16.500109.7R499R499-Q501 PolarHBondContact O-N 3.49Å; R499-Q501 VanDerWaalsContact O-N 3.13Å
502S54.5Low54.4Low63 Ų63144.7 Ų144.744%0.44169%0.693SS.*PPolyproline II helixtrans-65.4138.8172.7178.50000109.1Q504 T505S502-Q504 PolarHBondContact O-N 3.01Å; S502-Q504 PolarHBondContact OG-OE1 3.13Å; S502-T505 PolarHBondContact O-N 3.47Å; S502-T505 PolarHBondContact O-OG1 3.29Å
503L53.5Low54.5Low130 Ų130142.4 Ų142.468%0.68169%0.689SS**THydrogen-bonded Turntrans-56.8-21.1-179.9-147.3150.4000112.4T505 E506L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.33Å; L503-E506 PolarHBondContact O-N 3.29Å
504Q57.1Low54.6Low123 Ų123150.3 Ų150.358%0.57571%0.714SS**Hα-helixtrans-58.9-32.6172.6-66.6169.8-59.800114.3S502 E506 Q507 I508S502-Q504 PolarHBondContact O-N 3.01Å; S502-Q504 PolarHBondContact OG-OE1 3.13Å; Q504-E506 VanDerWaalsContact C-N 3.27Å; Q504-E506 PolarHBondContact O-N 3.44Å; Q504-Q507 PolarHBondContact O-N 3.24Å; Q504-I508 VanDerWaalsContact O-CG1 3.3Å; Q504-I508 WeakPolarHBondContact O-CG1 3.3Å; Q504-I508 PolarHBondContact O-N 2.83Å
505T56.7Low54.5Low62 Ų62148 Ų14838%0.3871%0.707SS.*Hα-helixtrans-73.2-17.3-174.251.20000113.9S502 L503S502-T505 PolarHBondContact O-N 3.47Å; S502-T505 PolarHBondContact O-OG1 3.29Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.33Å
506E58.3Low54.8Low137 Ų137146.4 Ų146.464%0.6470%0.703SS**Hα-helixtrans-87.3-38.8171.4-62.2-164.9138.600111.6L503 Q504 I508 K509 Q510L503-E506 PolarHBondContact O-N 3.29Å; Q504-E506 VanDerWaalsContact C-N 3.27Å; Q504-E506 PolarHBondContact O-N 3.44Å; E506-I508 VanDerWaalsContact C-N 3.32Å; E506-I508 PolarHBondContact O-N 3.42Å; E506-K509 WeakPolarHBondContact O-CB 3.48Å; E506-K509 PolarHBondContact O-N 3.02Å; E506-K509 VanDerWaalsContact O-N 3.1Å; E506-Q510 PolarHBondContact O-N 3.23Å
507Q56.4Low54.8Low107 Ų107146.2 Ų146.250%0.570%0.701SS.*Hα-helixtrans-60.4-40.3174.3-67.5-179-3300112Q504 K509 Q510 L511Q504-Q507 PolarHBondContact O-N 3.24Å; Q507-K509 VanDerWaalsContact C-N 3.3Å; Q507-K509 PolarHBondContact O-N 3.45Å; Q507-Q510 PolarHBondContact O-N 3.45Å; Q507-L511 PolarHBondContact O-N 3.45Å
508I62.1Low55.2Low106 Ų106144.7 Ų144.754%0.54469%0.689SS.*Hα-helixtrans-62.6-35.6175.3-68.8165.1000111.5Q504 E506 Q510 L511Q504-I508 VanDerWaalsContact O-CG1 3.3Å; Q504-I508 WeakPolarHBondContact O-CG1 3.3Å; Q504-I508 PolarHBondContact O-N 2.83Å; E506-I508 VanDerWaalsContact C-N 3.32Å; E506-I508 PolarHBondContact O-N 3.42Å; I508-Q510 VanDerWaalsContact C-N 3.33Å; I508-Q510 PolarHBondContact O-N 3.2Å; I508-L511 PolarHBondContact O-N 3.3Å
509K57.3Low55.3Low156 Ų156143.8 Ų143.868%0.67868%0.68SS**Hα-helixtrans-68.6-28.7176.6-76.5-179.1175.6-179.80113.4E506 Q507 L511E506-K509 WeakPolarHBondContact O-CB 3.48Å; E506-K509 PolarHBondContact O-N 3.02Å; E506-K509 VanDerWaalsContact O-N 3.1Å; Q507-K509 VanDerWaalsContact C-N 3.3Å; Q507-K509 PolarHBondContact O-N 3.45Å; K509-L511 VanDerWaalsContact C-N 3.29Å
510Q57.5Low55.4Low146 Ų146137.7 Ų137.768%0.68267%0.667SS**Hα-helixtrans-74.4-19.8176.5-69.8-176.4-29.100113E506 Q507 I508E506-Q510 PolarHBondContact O-N 3.23Å; Q507-Q510 PolarHBondContact O-N 3.45Å; I508-Q510 VanDerWaalsContact C-N 3.33Å; I508-Q510 PolarHBondContact O-N 3.2Å
511L59.1Low55.7Low135 Ų135130.4 Ų130.471%0.70765%0.649SS**THydrogen-bonded Turntrans-901.2178.5-69.4169.8000114.3Q507 I508 K509Q507-L511 PolarHBondContact O-N 3.45Å; I508-L511 PolarHBondContact O-N 3.3Å; K509-L511 VanDerWaalsContact C-N 3.29Å
512V57.2Low56.4Low111 Ų111128.2 Ų128.267%0.67364%0.642SS**SBendtrans-97.5-7.7178.6175.70000112.4
513N53.5Low56.5Low141 Ų141133.7 Ų133.775%0.75466%0.659SS**  trans-115.349.6-179.5-70.6-8.4000112.1
514F49.6Very low56.8Low250 Ų250134 Ų134100%1.09666%0.657SS**  trans-138.30171.6-83.4-75.2000110.3

Retrieved 514 of 514 residues in 124.7 ms (Link to these results)

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