A0A096NSW9_PAPAN Loading...

Small nuclear ribonucleoprotein-associated protein

AlphaFold DB (A0A2K6Q1F0), UniProt , Accession A0A096NSW9, Species PAPAN (Papio anubis, Olive baboon), Gene SNRPN, Length 244 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
1M41.3Very low53Low235 Ų235138.3 Ų138.3100%1.15877%0.768SS**  0107.60-79.2162.2167.800106.5
2M44.4Very low55.8Low194 Ų194139.9 Ų139.996%0.95676%0.762SS**  trans-81.4113174-74.4162.3168.900106.2S4M2-S4 PolarHBondContact O-N 3.49Å
3D43Very low58.5Low151 Ų151132.1 Ų132.181%0.80772%0.717SS**  trans-64.4100.7171.8-71.6-55.5000108.4Q5D3-Q5 PolarHBondContact O-N 3.37Å
4S47.2Very low60.8Low114 Ų114129.7 Ų129.780%0.79770%0.703SS**  trans-64.883.7164.9175.90000107.8M2 T6M2-S4 PolarHBondContact O-N 3.49Å; S4-T6 PolarHBondContact O-N 2.98Å
5Q51.4Low62.9Low170 Ų170129.5 Ų129.579%0.79470%0.696SS**  trans-58.2122.1167.3-81-174.118.100108.2D3 V7D3-Q5 PolarHBondContact O-N 3.37Å; Q5-V7 PolarHBondContact O-N 3.22Å
6T47.3Very low64.9Low133 Ų133125.3 Ų125.382%0.81667%0.67SS**  trans-51.4101.9173.234.30000110.2S4 G8S4-T6 PolarHBondContact O-N 2.98Å; T6-G8 PolarHBondContact O-N 3.26Å
7V59Low66.6Low150 Ų150120.5 Ų120.591%0.90964%0.644SS**  trans-66.287.1162.9177.50000106.8Q5Q5-V7 PolarHBondContact O-N 3.22Å
8G58.9Low68.2Low48 Ų48117.3 Ų117.350%0.49563%0.627SS.*  trans-155.5105.3-175.600000111T6 S10T6-G8 PolarHBondContact O-N 3.26Å; G8-S10 PolarHBondContact O-N 3.27Å
9K57.3Low69.8Low212 Ų212115.8 Ų115.892%0.92261%0.612SS**SBendtrans81.9-18.2167.7-52.1169-176.71770117.6
10S58.8Low71.1Confident57 Ų57114.6 Ų114.640%0.39960%0.599SS.*  trans-89.52.7176.3-158.10000114.9G8 K12 M13 L14 F38G8-S10 PolarHBondContact O-N 3.27Å; S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.09Å; S10-M13 PolarHBondContact O-N 3.49Å; S10-L14 PolarHBondContact O-N 3.48Å; S10-F38 WeakPolarHBondContact OG-CE2 3.37Å; S10-F38 VanDerWaalsContact OG-CZ 3.31Å; S10-F38 WeakPolarHBondContact OG-CZ 2.87Å
11S74Confident72.4Confident57 Ų57109.2 Ų109.240%0.39957%0.571SS.*Hα-helixtrans-64.6-33.3-173.260.40000114M13 L14 Q15S11-M13 PolarHBondContact O-N 3.1Å; S11-L14 PolarHBondContact O-N 3.38Å; S11-Q15 VanDerWaalsContact O-CG 3.29Å; S11-Q15 WeakPolarHBondContact O-CG 3.14Å; S11-Q15 PolarHBondContact O-N 3.24Å; S11-Q15 VanDerWaalsContact O-N 3.11Å
12K86.4Confident75.1Confident158 Ų158101.5 Ų101.569%0.68753%0.529SS*.Hα-helixtrans-62.8-42.3-177.3-70.8-174.5179-179.90112.1S10 Q15 H16S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.09Å; K12-Q15 PolarHBondContact O-N 3.12Å; K12-H16 PolarHBondContact O-CE1 3.1Å; K12-H16 PolarHBondContact O-ND1 3.05Å
13M90.7Very high77.6Confident38 Ų3892.3 Ų92.319%0.18748%0.483CS..Hα-helixtrans-72.4-39.4179.6-72.8-64.2-66.800111.7S10 S11 Q15 H16 F35 F38 M42 L44 M84S10-M13 PolarHBondContact O-N 3.49Å; S11-M13 PolarHBondContact O-N 3.1Å; M13-Q15 PolarHBondContact O-N 3.18Å; M13-H16 PolarHBondContact O-N 2.97Å; M13-F35 HydrophobicContact CE-CE1 4.04Å; M13-F35 HydrophobicContact CE-CE2 4.4Å; M13-F35 HydrophobicContact CE-CZ 3.6Å; M13-F38 HydrophobicContact CB-CD1 4.06Å; M13-F38 HydrophobicContact CB-CD2 4.16Å; M13-F38 HydrophobicContact CB-CE1 3.68Å; M13-F38 HydrophobicContact CB-CE2 3.79Å; M13-F38 HydrophobicContact CB-CG 4.29Å; M13-F38 HydrophobicContact CB-CZ 3.53Å; M13-F38 HydrophobicContact CE-CB 4.18Å; M13-F38 HydrophobicContact CE-CD2 4.43Å; M13-F38 HydrophobicContact CE-CG 4.12Å; M13-F38 HydrophobicContact CG-CD2 4.44Å; M13-F38 HydrophobicContact CG-CE2 4.29Å; M13-M42 HydrophobicContact CE-CE 3.62Å; M13-M42 HydrophobicContact CE-SD 4.26Å; M13-M42 HydrophobicContact SD-CE 4.02Å; M13-L44 HydrophobicContact CE-CD2 4.27Å; M13-M84 HydrophobicContact CE-CE 3.43Å; M13-M84 VanDerWaalsContact CE-CE 3.43Å; M13-M84 HydrophobicContact SD-CE 3.84Å
14L91.4Very high80.1Confident99 Ų9987.8 Ų87.852%0.51846%0.459SS..Hα-helixtrans-58.5-34.8175.7-70.1168.4000112.6S10 S11 H16 I17 F38S10-L14 PolarHBondContact O-N 3.48Å; S11-L14 PolarHBondContact O-N 3.38Å; L14-H16 PolarHBondContact O-N 3.14Å; L14-I17 HydrophobicContact CD2-CD1 3.77Å; L14-I17 PolarHBondContact O-N 2.94Å; L14-F38 HydrophobicContact CD2-CE1 3.97Å; L14-F38 HydrophobicContact CD2-CZ 4.33Å; L14-F38 HydrophobicContact CG-CE1 4.22Å; L14-F38 HydrophobicContact CG-CZ 4.26Å
15Q92.7Very high82.5Confident127 Ų12783.4 Ų83.459%0.59343%0.426SS*.THydrogen-bonded Turntrans-64.9-21.1177.2-72.4165.520.500114.1S11 K12 M13S11-Q15 VanDerWaalsContact O-CG 3.29Å; S11-Q15 WeakPolarHBondContact O-CG 3.14Å; S11-Q15 PolarHBondContact O-N 3.24Å; S11-Q15 VanDerWaalsContact O-N 3.11Å; K12-Q15 PolarHBondContact O-N 3.12Å; M13-Q15 PolarHBondContact O-N 3.18Å
16H93.9Very high84.6Confident61 Ų6181.5 Ų81.528%0.28242%0.417SS..THydrogen-bonded Turntrans-98.7-3.8-176.1-64.457.1000112K12 M13 L14 Y19 M21 F35K12-H16 PolarHBondContact O-CE1 3.1Å; K12-H16 PolarHBondContact O-ND1 3.05Å; M13-H16 PolarHBondContact O-N 2.97Å; L14-H16 PolarHBondContact O-N 3.14Å; H16-Y19 WeakPolarHBondContact O-CB 3.45Å; H16-Y19 PolarHBondContact O-N 3.19Å; H16-M21 HydrophobicContact CB-CE 4.3Å; H16-M21 HydrophobicContact CB-SD 4.19Å; H16-F35 HydrophobicContact CB-CD1 4.33Å; H16-F35 HydrophobicContact CB-CE1 4.49Å; H16-F35 WeakPolarHBondContact O-CD1 3.12Å
17I94.9Very high86.6Confident44 Ų4479.6 Ų79.623%0.22640%0.402CS..THydrogen-bonded Turntrans-58.7143.8174.4-66.1-179.4000109.5L14 Y19 F35 F38L14-I17 HydrophobicContact CD2-CD1 3.77Å; L14-I17 PolarHBondContact O-N 2.94Å; I17-Y19 WeakPolarHBondContact O-CD2 3.5Å; I17-Y19 PolarHBondContact O-N 2.76Å; I17-Y19 VanDerWaalsContact O-N 3.11Å; I17-F35 CarbonylContact C-O 3.57Å; I17-F35 HydrophobicContact CG1-CD1 4.25Å; I17-F35 HydrophobicContact CG1-CE1 3.86Å; I17-F38 HydrophobicContact CD1-CE1 4.34Å
18D95.6Very high88.1Confident64 Ų6474.6 Ų74.634%0.34238%0.381SS..THydrogen-bonded Turntrans67.3-8.4-174.4-59.2-50.1000115.8T34 F35 K36 P90 P91D18-T34 WeakPolarHBondContact O-CG2 3.16Å; D18-F35 WeakPolarHBondContact CA-O 3.41Å; D18-F35 PolarHBondContact N-O 3.28Å; D18-K36 WeakPolarHBondContact OD1-CD 3.4Å; D18-K36 WeakPolarHBondContact OD1-CE 3.37Å; D18-K36 IonicContact OD1-NZ 3.54Å; D18-K36 PolarHBondContact OD1-NZ 3.25Å; D18-P90 HydrophobicContact CB-CB 4.06Å; D18-P90 HydrophobicContact CB-CG 4.48Å; D18-P90 WeakPolarHBondContact O-CA 3.36Å; D18-P90 VanDerWaalsContact O-CB 3.3Å; D18-P90 WeakPolarHBondContact O-CB 3.22Å; D18-P91 WeakPolarHBondContact O-CD 3.46Å
19Y97.1Very high89.8Confident89 Ų8976.5 Ų76.535%0.34937%0.373SS..SBendtrans-70152.2171.9-78.3-107.4000111.3H16 I17 M21 T34 F35 V86 G88 P90H16-Y19 WeakPolarHBondContact O-CB 3.45Å; H16-Y19 PolarHBondContact O-N 3.19Å; I17-Y19 WeakPolarHBondContact O-CD2 3.5Å; I17-Y19 PolarHBondContact O-N 2.76Å; I17-Y19 VanDerWaalsContact O-N 3.11Å; Y19-M21 PolarHBondContact O-N 3.46Å; Y19-T34 WeakPolarHBondContact O-CA 3.45Å; Y19-F35 PolarHBondContact O-N 3.21Å; Y19-V86 HydrophobicContact CD1-CG1 3.59Å; Y19-V86 HydrophobicContact CD1-CG2 4.47Å; Y19-V86 HydrophobicContact CE1-CG1 4.29Å; Y19-V86 HydrophobicContact CG-CG1 4.43Å; Y19-G88 WeakPolarHBondContact CD1-O 3.5Å; Y19-P90 HydrophobicContact CD1-CG 4.18Å; Y19-P90 HydrophobicContact CD2-CG 3.52Å; Y19-P90 HydrophobicContact CE1-CG 4.21Å; Y19-P90 HydrophobicContact CE2-CG 3.52Å; Y19-P90 HydrophobicContact CG-CG 3.85Å
20R96.9Very high91.6Very high91 Ų9168.1 Ų68.134%0.34334%0.338SS..EExtended strand (participates in β ladder)trans-76.7112.4167.2-168.1169.7176.6144.211.8107.7I32 D50 E87 G88R20-I32 HydrophobicContact CG-CG2 4.01Å; R20-D50 IonicContact NH2-OD2 2.64Å; R20-E87 WeakPolarHBondContact CD-OE2 3.36Å; R20-E87 VanDerWaalsContact CG-OE2 3.29Å; R20-E87 WeakPolarHBondContact CG-OE2 3.42Å; R20-E87 IonicContact NE-OE2 2.74Å; R20-E87 PolarHBondContact NE-OE2 3.35Å; R20-E87 VanDerWaalsContact NE-OE2 3.09Å; R20-E87 WeakPolarHBondContact O-CA 3.14Å; R20-E87 WeakPolarHBondContact O-CB 3.32Å; R20-E87 PolarHBondContact O-N 2.84Å; R20-G88 PolarHBondContact N-O 2.86Å; R20-G88 VanDerWaalsContact N-O 3.1Å; R20-G88 PolarHBondContact O-N 2.72Å
21M97.8Very high93.5Very high1 Ų166 Ų661%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-109.2140.8-173.7-61.8-55.9-6600110.3H16 Y19 I32 G33 F35 M84 T85 V86H16-M21 HydrophobicContact CB-CE 4.3Å; H16-M21 HydrophobicContact CB-SD 4.19Å; Y19-M21 PolarHBondContact O-N 3.46Å; M21-I32 VanDerWaalsContact O-CA 3.32Å; M21-I32 WeakPolarHBondContact O-CA 3.47Å; M21-G33 PolarHBondContact N-O 2.94Å; M21-G33 PolarHBondContact O-N 2.97Å; M21-F35 HydrophobicContact CB-CB 4.07Å; M21-F35 HydrophobicContact CG-CB 3.38Å; M21-F35 HydrophobicContact CG-CD1 4.38Å; M21-F35 HydrophobicContact CG-CG 4.16Å; M21-M84 HydrophobicContact CB-CG 4.01Å; M21-M84 HydrophobicContact CB-SD 3.96Å; M21-M84 HydrophobicContact CE-CE 3.94Å; M21-M84 HydrophobicContact CE-CG 3.38Å; M21-M84 HydrophobicContact CE-SD 3.83Å; M21-M84 HydrophobicContact CG-CG 4.43Å; M21-M84 HydrophobicContact CG-SD 4.06Å; M21-T85 WeakPolarHBondContact CE-O 3.48Å; M21-V86 HydrophobicContact CE-CG2 4.03Å; M21-V86 HydrophobicContact SD-CB 4.27Å; M21-V86 HydrophobicContact SD-CG2 3.79Å
22R97.4Very high94.6Very high74 Ų7463.6 Ų63.628%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-97.1120.7165.6175.6-172.8-62.1-89.2-4.2108.5I30 F31 I32 M84 T85 E87R22-I30 HydrophobicContact CG-CG2 3.6Å; R22-F31 CarbonylContact C-O 3.59Å; R22-F31 WeakPolarHBondContact CA-O 3.04Å; R22-I32 HydrophobicContact CB-CG1 4.3Å; R22-I32 HydrophobicContact CG-CG1 4.3Å; R22-M84 CarbonylContact O-C 3.54Å; R22-M84 VanDerWaalsContact O-CA 3.26Å; R22-M84 WeakPolarHBondContact O-CA 3.23Å; R22-T85 PolarHBondContact N-O 3.43Å; R22-T85 PolarHBondContact O-N 2.8Å; R22-E87 HydrophobicContact CB-CB 4.2Å
23C97.2Very high95.1Very high0 Ų056.1 Ų56.10%027%0.272CS..EExtended strand (participates in β ladder)trans-111.7131.6177.4-58.20000109.4I30 F31 L76 L81 S83C23-I30 CarbonylContact O-C 3.59Å; C23-I30 WeakPolarHBondContact O-CA 3.35Å; C23-F31 HydrophobicContact CB-CB 4.36Å; C23-F31 PolarHBondContact N-O 2.8Å; C23-F31 PolarHBondContact O-N 2.8Å; C23-L76 HydrophobicContact CB-CD1 4.08Å; C23-L81 HydrophobicContact CB-CD1 3.85Å; C23-S83 WeakPolarHBondContact CA-O 3.43Å
24I96.8Very high95.4Very high56 Ų5654.9 Ų54.929%0.28727%0.267SS..EExtended strand (participates in β ladder)trans-109.6126.7178.1-54.7-179.6000108.4I30 V82 S83I24-I30 HydrophobicContact CG1-CG1 4.49Å; I24-V82 PolarHBondContact O-N 2.87Å; I24-S83 PolarHBondContact N-O 2.84Å; I24-S83 PolarHBondContact O-N 2.88Å
25L96Very high95.7Very high22 Ų2250.1 Ų50.112%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-93.1162.4176.8-82.666.3000111.6D27 G28 R29 F31 L76 N80L25-D27 WeakPolarHBondContact CB-OD1 3.37Å; L25-D27 PolarHBondContact O-N 3.05Å; L25-G28 PolarHBondContact O-N 2.98Å; L25-R29 HydrophobicContact CB-CB 4.47Å; L25-R29 PolarHBondContact N-O 3Å; L25-F31 HydrophobicContact CD1-CD2 3.57Å; L25-F31 HydrophobicContact CD1-CE2 3.92Å; L25-F31 HydrophobicContact CD2-CD2 4.38Å; L25-F31 HydrophobicContact CD2-CE2 3.85Å; L25-L76 HydrophobicContact CD1-CD1 4.16Å; L25-L76 HydrophobicContact CD1-CD2 4.45Å; L25-L76 HydrophobicContact CD2-CD2 4.48Å; L25-N80 CarbonylContact C-O 3.6Å; L25-N80 WeakPolarHBondContact CA-O 3.44Å; L25-N80 HydrophobicContact CD2-CB 4.44Å; L25-N80 HydrophobicContact CG-CB 4.4Å
26Q95.9Very high95.8Very high130 Ų13047.7 Ų47.761%0.60723%0.229SC*.THydrogen-bonded Turntrans-58.9-30.4177.9-71.4179.8-1.900113.7G28 E79 N80 V82Q26-G28 PolarHBondContact O-N 2.83Å; Q26-E79 PolarHBondContact NE2-O 2.86Å; Q26-N80 PolarHBondContact N-O 2.82Å; Q26-V82 HydrophobicContact CB-CG2 4.18Å; Q26-V82 HydrophobicContact CG-CG2 3.55Å
27D90.8Very high95.9Very high94 Ų9446.6 Ų46.650%0.50323%0.231SC..THydrogen-bonded Turntrans-83.44.8178.871.8-16.4000113.5L25 R29L25-D27 WeakPolarHBondContact CB-OD1 3.37Å; L25-D27 PolarHBondContact O-N 3.05Å; D27-R29 VanDerWaalsContact C-N 3.33Å; D27-R29 WeakPolarHBondContact OD1-CB 3.33Å; D27-R29 WeakPolarHBondContact OD1-CG 2.95Å; D27-R29 PolarHBondContact OD1-N 3.31Å; D27-R29 IonicContact OD1-NE 3.02Å; D27-R29 WeakPolarHBondContact OD2-CD 3.1Å; D27-R29 IonicContact OD2-CZ 3.42Å; D27-R29 IonicContact OD2-NE 3.59Å; D27-R29 PolarHBondContact OD2-NE 2.83Å; D27-R29 IonicContact OD2-NH2 3.55Å
28G90.4Very high96Very high45 Ų4547 Ų4746%0.46423%0.231SC..SBendtrans82.76.1178.100000114.4L25 Q26L25-G28 PolarHBondContact O-N 2.98Å; Q26-G28 PolarHBondContact O-N 2.83Å
29R93.5Very high95.9Very high87 Ų8747.6 Ų47.633%0.32823%0.234SC..  trans-71.3147.2169.8-65.4174-167.4-160.418.6110.7L25 D27 F31 E51 R53L25-R29 HydrophobicContact CB-CB 4.47Å; L25-R29 PolarHBondContact N-O 3Å; D27-R29 VanDerWaalsContact C-N 3.33Å; D27-R29 WeakPolarHBondContact OD1-CB 3.33Å; D27-R29 WeakPolarHBondContact OD1-CG 2.95Å; D27-R29 PolarHBondContact OD1-N 3.31Å; D27-R29 IonicContact OD1-NE 3.02Å; D27-R29 WeakPolarHBondContact OD2-CD 3.1Å; D27-R29 IonicContact OD2-CZ 3.42Å; D27-R29 IonicContact OD2-NE 3.59Å; D27-R29 PolarHBondContact OD2-NE 2.83Å; D27-R29 IonicContact OD2-NH2 3.55Å; R29-F31 HydrophobicContact CB-CD2 4.38Å; R29-F31 HydrophobicContact CB-CE2 3.89Å; R29-E51 WeakPolarHBondContact CD-OE1 3.02Å; R29-E51 IonicContact CZ-OE1 3.63Å; R29-E51 IonicContact NE-OE1 2.81Å; R29-E51 IonicContact NH1-OE1 3.34Å; R29-E51 PolarHBondContact NH1-OE1 3.25Å; R29-R53 VanDerWaalsContact NH1-NH2 3.12Å
30I96.1Very high95.7Very high36 Ų3651.6 Ų51.619%0.18525%0.253CS..EExtended strand (participates in β ladder)trans-118.1127.5176.2-56.4175.3000108.2R22 C23 I24 I32 E51 F52R22-I30 HydrophobicContact CG-CG2 3.6Å; C23-I30 CarbonylContact O-C 3.59Å; C23-I30 WeakPolarHBondContact O-CA 3.35Å; I24-I30 HydrophobicContact CG1-CG1 4.49Å; I30-I32 HydrophobicContact CG2-CG1 4.16Å; I30-E51 CarbonylContact O-C 3.59Å; I30-E51 WeakPolarHBondContact O-CA 3.42Å; I30-F52 HydrophobicContact CB-CB 4.22Å; I30-F52 PolarHBondContact N-O 3.1Å; I30-F52 VanDerWaalsContact N-O 3.08Å; I30-F52 PolarHBondContact O-N 2.78Å
31F97.6Very high95.6Very high12 Ų1252.5 Ų52.55%0.05326%0.261CS..EExtended strand (participates in β ladder)trans-109.9131172.9-73.6-109000108.3R22 C23 L25 R29 L46 D50 E51 L71 V74 L76R22-F31 CarbonylContact C-O 3.59Å; R22-F31 WeakPolarHBondContact CA-O 3.04Å; C23-F31 HydrophobicContact CB-CB 4.36Å; C23-F31 PolarHBondContact N-O 2.8Å; C23-F31 PolarHBondContact O-N 2.8Å; L25-F31 HydrophobicContact CD1-CD2 3.57Å; L25-F31 HydrophobicContact CD1-CE2 3.92Å; L25-F31 HydrophobicContact CD2-CD2 4.38Å; L25-F31 HydrophobicContact CD2-CE2 3.85Å; R29-F31 HydrophobicContact CB-CD2 4.38Å; R29-F31 HydrophobicContact CB-CE2 3.89Å; F31-L46 HydrophobicContact CB-CD1 4.1Å; F31-D50 CarbonylContact C-O 3.57Å; F31-D50 WeakPolarHBondContact CA-O 3.48Å; F31-E51 HydrophobicContact CD1-CB 4.36Å; F31-E51 HydrophobicContact CE1-CB 4.07Å; F31-E51 HydrophobicContact CE1-CG 4.33Å; F31-E51 HydrophobicContact CE2-CG 4.11Å; F31-E51 HydrophobicContact CZ-CB 4.19Å; F31-E51 HydrophobicContact CZ-CG 3.93Å; F31-L71 HydrophobicContact CD1-CD1 3.93Å; F31-L71 HydrophobicContact CE1-CD1 3.34Å; F31-L71 HydrophobicContact CZ-CD1 4.28Å; F31-V74 HydrophobicContact CD1-CG1 4.36Å; F31-V74 HydrophobicContact CE1-CG1 4.2Å; F31-L76 HydrophobicContact CB-CD1 4.14Å; F31-L76 HydrophobicContact CD1-CD2 4.1Å; F31-L76 HydrophobicContact CD2-CD2 4.36Å; F31-L76 HydrophobicContact CE1-CD2 4.03Å; F31-L76 HydrophobicContact CE2-CD2 4.33Å; F31-L76 HydrophobicContact CG-CD1 4.19Å; F31-L76 HydrophobicContact CG-CD2 4.26Å; F31-L76 HydrophobicContact CZ-CD2 4.17Å
32I97.2Very high95.5Very high8 Ų855.7 Ų55.74%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-120.4119.9173.4-54.2-179.2000107.7R20 M21 R22 I30 C49 D50 F52 E87R20-I32 HydrophobicContact CG-CG2 4.01Å; M21-I32 VanDerWaalsContact O-CA 3.32Å; M21-I32 WeakPolarHBondContact O-CA 3.47Å; R22-I32 HydrophobicContact CB-CG1 4.3Å; R22-I32 HydrophobicContact CG-CG1 4.3Å; I30-I32 HydrophobicContact CG2-CG1 4.16Å; I32-C49 CarbonylContact O-C 3.51Å; I32-C49 WeakPolarHBondContact O-CA 3.45Å; I32-D50 PolarHBondContact N-O 3.05Å; I32-D50 PolarHBondContact O-N 2.89Å; I32-F52 HydrophobicContact CB-CE2 4.09Å; I32-F52 HydrophobicContact CD1-CD2 3.96Å; I32-F52 HydrophobicContact CD1-CE2 3.55Å; I32-F52 HydrophobicContact CD1-CZ 4.22Å; I32-F52 HydrophobicContact CG1-CD2 4.04Å; I32-F52 HydrophobicContact CG1-CE2 3.83Å; I32-E87 HydrophobicContact CD1-CG 4.45Å; I32-E87 HydrophobicContact CG2-CB 4.39Å; I32-E87 HydrophobicContact CG2-CG 4.09Å
33G97.3Very high95.5Very high1 Ų153.6 Ų53.61%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-163.8170.8-178.600000112.2M21 F35 C47M21-G33 PolarHBondContact N-O 2.94Å; M21-G33 PolarHBondContact O-N 2.97Å; G33-F35 PolarHBondContact O-N 3.02Å; G33-C47 CarbonylContact C-O 3.56Å; G33-C47 WeakPolarHBondContact CA-O 3.23Å
34T97.3Very high95.5Very high11 Ų1153.6 Ų53.67%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-78.5116.3178.4-54.40000109.5D18 Y19 K36 L46 C47D18-T34 WeakPolarHBondContact O-CG2 3.16Å; Y19-T34 WeakPolarHBondContact O-CA 3.45Å; T34-K36 HydrophobicContact CG2-CD 4.2Å; T34-K36 PolarHBondContact O-N 2.7Å; T34-L46 CarbonylContact O-C 3.54Å; T34-L46 VanDerWaalsContact O-CA 3.29Å; T34-L46 WeakPolarHBondContact O-CA 3.37Å; T34-C47 PolarHBondContact N-O 3.01Å; T34-C47 PolarHBondContact O-N 2.69Å
35F97.1Very high95.5Very high0 Ų053.4 Ų53.40%027%0.271CS..EExtended strand (participates in β ladder)trans-78.2112.7-176.2172.3-122.8000111.6M13 H16 I17 D18 Y19 M21 G33 A37 F38 L44 L46 M84M13-F35 HydrophobicContact CE-CE1 4.04Å; M13-F35 HydrophobicContact CE-CE2 4.4Å; M13-F35 HydrophobicContact CE-CZ 3.6Å; H16-F35 HydrophobicContact CB-CD1 4.33Å; H16-F35 HydrophobicContact CB-CE1 4.49Å; H16-F35 WeakPolarHBondContact O-CD1 3.12Å; I17-F35 CarbonylContact C-O 3.57Å; I17-F35 HydrophobicContact CG1-CD1 4.25Å; I17-F35 HydrophobicContact CG1-CE1 3.86Å; D18-F35 WeakPolarHBondContact CA-O 3.41Å; D18-F35 PolarHBondContact N-O 3.28Å; Y19-F35 PolarHBondContact O-N 3.21Å; M21-F35 HydrophobicContact CB-CB 4.07Å; M21-F35 HydrophobicContact CG-CB 3.38Å; M21-F35 HydrophobicContact CG-CD1 4.38Å; M21-F35 HydrophobicContact CG-CG 4.16Å; G33-F35 PolarHBondContact O-N 3.02Å; F35-A37 VanDerWaalsContact CE2-C 3.49Å; F35-A37 WeakPolarHBondContact CE2-O 3.2Å; F35-F38 HydrophobicContact CE1-CD1 4.36Å; F35-F38 HydrophobicContact CE2-CB 3.91Å; F35-F38 HydrophobicContact CZ-CB 3.67Å; F35-F38 AromaticContact CZ-CD1 3.68Å; F35-F38 HydrophobicContact CZ-CD1 3.68Å; F35-F38 AromaticContact CZ-CG 3.99Å; F35-F38 HydrophobicContact CZ-CG 3.99Å; F35-L44 HydrophobicContact CD2-CB 4.4Å; F35-L44 HydrophobicContact CD2-CD2 4.42Å; F35-L44 HydrophobicContact CE2-CB 4.24Å; F35-L44 HydrophobicContact CE2-CD2 3.64Å; F35-L44 HydrophobicContact CE2-CG 4.4Å; F35-L44 HydrophobicContact CZ-CD2 4.3Å; F35-L46 HydrophobicContact CB-CD2 3.93Å; F35-L46 HydrophobicContact CD2-CD2 4.18Å; F35-M84 HydrophobicContact CD1-CE 4.49Å; F35-M84 HydrophobicContact CE1-CE 4.36Å; F35-M84 HydrophobicContact CG-SD 4.49Å; F35-M84 HydrophobicContact CZ-CE 4.49Å
36K95.7Very high95.6Very high75 Ų7552.4 Ų52.433%0.32627%0.265SS..EExtended strand (participates in β ladder)trans-104.1-32.9-173.3-70.1-57.3-167.2173.50114.1D18 T34 I45 C47D18-K36 WeakPolarHBondContact OD1-CD 3.4Å; D18-K36 WeakPolarHBondContact OD1-CE 3.37Å; D18-K36 IonicContact OD1-NZ 3.54Å; D18-K36 PolarHBondContact OD1-NZ 3.25Å; T34-K36 HydrophobicContact CG2-CD 4.2Å; T34-K36 PolarHBondContact O-N 2.7Å; K36-I45 HydrophobicContact CB-CG2 4.26Å; K36-I45 PolarHBondContact N-O 3.05Å; K36-C47 HydrophobicContact CG-CB 4.29Å; K36-C47 VanDerWaalsContact CG-SG 3.6Å
37A95.6Very high95.6Very high39 Ų3947.8 Ų47.832%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-156.9153.8-177.500000111.9F35 L44 I45F35-A37 VanDerWaalsContact CE2-C 3.49Å; F35-A37 WeakPolarHBondContact CE2-O 3.2Å; A37-L44 WeakPolarHBondContact O-CA 3.07Å; A37-I45 HydrophobicContact CB-CB 4.07Å; A37-I45 HydrophobicContact CB-CG1 3.92Å; A37-I45 PolarHBondContact O-N 2.99Å
38F96.1Very high95.8Very high53 Ų5348.4 Ų48.423%0.23225%0.25CS..EExtended strand (participates in β ladder)trans-133.9161.8167.466.3-69.1000111.1S10 M13 L14 I17 F35 N43 L44S10-F38 WeakPolarHBondContact OG-CE2 3.37Å; S10-F38 VanDerWaalsContact OG-CZ 3.31Å; S10-F38 WeakPolarHBondContact OG-CZ 2.87Å; M13-F38 HydrophobicContact CB-CD1 4.06Å; M13-F38 HydrophobicContact CB-CD2 4.16Å; M13-F38 HydrophobicContact CB-CE1 3.68Å; M13-F38 HydrophobicContact CB-CE2 3.79Å; M13-F38 HydrophobicContact CB-CG 4.29Å; M13-F38 HydrophobicContact CB-CZ 3.53Å; M13-F38 HydrophobicContact CE-CB 4.18Å; M13-F38 HydrophobicContact CE-CD2 4.43Å; M13-F38 HydrophobicContact CE-CG 4.12Å; M13-F38 HydrophobicContact CG-CD2 4.44Å; M13-F38 HydrophobicContact CG-CE2 4.29Å; L14-F38 HydrophobicContact CD2-CE1 3.97Å; L14-F38 HydrophobicContact CD2-CZ 4.33Å; L14-F38 HydrophobicContact CG-CE1 4.22Å; L14-F38 HydrophobicContact CG-CZ 4.26Å; I17-F38 HydrophobicContact CD1-CE1 4.34Å; F35-F38 HydrophobicContact CE1-CD1 4.36Å; F35-F38 HydrophobicContact CE2-CB 3.91Å; F35-F38 HydrophobicContact CZ-CB 3.67Å; F35-F38 AromaticContact CZ-CD1 3.68Å; F35-F38 HydrophobicContact CZ-CD1 3.68Å; F35-F38 AromaticContact CZ-CG 3.99Å; F35-F38 HydrophobicContact CZ-CG 3.99Å; F38-N43 VanDerWaalsContact CA-O 3.23Å; F38-N43 WeakPolarHBondContact CA-O 3.29Å; F38-L44 HydrophobicContact CB-CD2 3.99Å
39D94.6Very high96.2Very high75 Ų7546.3 Ų46.340%0.40123%0.228SC..  trans-121.3173.7173.8-175.224.2000111H41 M42 N43D39-H41 PolarHBondContact O-N 3.13Å; D39-H41 IonicContact OD2-CD2 2.65Å; D39-M42 PolarHBondContact O-N 3.23Å; D39-N43 HydrophobicContact CB-CB 4.38Å; D39-N43 PolarHBondContact N-O 3.29Å
40K93.4Very high96.3Very high173 Ų17342.7 Ų42.775%0.75222%0.216SC*.THydrogen-bonded Turntrans-52.8-26.617674.7-174.4-174.4-175.30113.8
41H94.7Very high96.3Very high110 Ų11041.4 Ų41.451%0.50921%0.209SC..THydrogen-bonded Turntrans-91.25.7179.1-65.7-59.3000113.9D39 N43 G78D39-H41 PolarHBondContact O-N 3.13Å; D39-H41 IonicContact OD2-CD2 2.65Å; H41-N43 PolarHBondContact O-N 3.41Å; H41-G78 WeakPolarHBondContact O-CA 3.46Å
42M95.7Very high96.1Very high69 Ų6942.3 Ų42.334%0.3421%0.213SC..  trans61.623-170.5-62.3-65.8-64.300113.7M13 D39 L44 G78 L81M13-M42 HydrophobicContact CE-CE 3.62Å; M13-M42 HydrophobicContact CE-SD 4.26Å; M13-M42 HydrophobicContact SD-CE 4.02Å; D39-M42 PolarHBondContact O-N 3.23Å; M42-L44 HydrophobicContact CE-CD2 4.45Å; M42-L44 WeakPolarHBondContact O-CD2 3.46Å; M42-L44 WeakPolarHBondContact O-CG 3.32Å; M42-L44 PolarHBondContact O-N 2.95Å; M42-G78 WeakPolarHBondContact O-CA 3.48Å; M42-G78 PolarHBondContact O-N 3.18Å; M42-L81 HydrophobicContact CB-CD2 4.45Å; M42-L81 HydrophobicContact CE-CD2 4.01Å
43N96.3Very high95.8Very high30 Ų3045.2 Ų45.216%0.1622%0.223CC..  trans-64.1129.4165-60.7-33.4000107.9F38 D39 H41 L76 R77 G78F38-N43 VanDerWaalsContact CA-O 3.23Å; F38-N43 WeakPolarHBondContact CA-O 3.29Å; D39-N43 HydrophobicContact CB-CB 4.38Å; D39-N43 PolarHBondContact N-O 3.29Å; H41-N43 PolarHBondContact O-N 3.41Å; N43-L76 CarbonylContact C-O 3.56Å; N43-L76 WeakPolarHBondContact CA-O 3.46Å; N43-R77 WeakPolarHBondContact OD1-CA 3.44Å; N43-G78 PolarHBondContact OD1-N 3.15Å
44L96.9Very high95Very high0 Ų051.3 Ų51.30%025%0.25CC..EExtended strand (participates in β ladder)trans-113.7140.6-175.3-49.6-178.4000110.5M13 F35 A37 F38 M42 L75 L76 L81 M84M13-L44 HydrophobicContact CE-CD2 4.27Å; F35-L44 HydrophobicContact CD2-CB 4.4Å; F35-L44 HydrophobicContact CD2-CD2 4.42Å; F35-L44 HydrophobicContact CE2-CB 4.24Å; F35-L44 HydrophobicContact CE2-CD2 3.64Å; F35-L44 HydrophobicContact CE2-CG 4.4Å; F35-L44 HydrophobicContact CZ-CD2 4.3Å; A37-L44 WeakPolarHBondContact O-CA 3.07Å; F38-L44 HydrophobicContact CB-CD2 3.99Å; M42-L44 HydrophobicContact CE-CD2 4.45Å; M42-L44 WeakPolarHBondContact O-CD2 3.46Å; M42-L44 WeakPolarHBondContact O-CG 3.32Å; M42-L44 PolarHBondContact O-N 2.95Å; L44-L75 CarbonylContact O-C 3.53Å; L44-L75 WeakPolarHBondContact O-CA 3.39Å; L44-L76 HydrophobicContact CB-CB 4.35Å; L44-L76 PolarHBondContact N-O 3.15Å; L44-L76 PolarHBondContact O-N 3Å; L44-L81 HydrophobicContact CD1-CD1 3.99Å; L44-L81 HydrophobicContact CD1-CD2 3.64Å; L44-L81 HydrophobicContact CD1-CG 4.45Å; L44-L81 HydrophobicContact CD2-CD2 4.37Å; L44-L81 HydrophobicContact CG-CD2 4.13Å; L44-M84 HydrophobicContact CD1-SD 3.8Å
45I97.6Very high94.2Very high52 Ų5254.3 Ų54.327%0.26726%0.264SS..EExtended strand (participates in β ladder)trans-102.2122.3165.6-54.8-58.6000108.2K36 A37 L73 L75K36-I45 HydrophobicContact CB-CG2 4.26Å; K36-I45 PolarHBondContact N-O 3.05Å; A37-I45 HydrophobicContact CB-CB 4.07Å; A37-I45 HydrophobicContact CB-CG1 3.92Å; A37-I45 PolarHBondContact O-N 2.99Å; I45-L73 HydrophobicContact CG2-CD1 3.88Å; I45-L75 HydrophobicContact CD1-CB 3.89Å; I45-L75 HydrophobicContact CD1-CD1 3.71Å; I45-L75 HydrophobicContact CD1-CG 3.78Å
46L97.6Very high93.1Very high0 Ų062.8 Ų62.80%030%0.301CS..EExtended strand (participates in β ladder)trans-120.2131.5176.8-59.9178.5000109.2F31 T34 F35 C49 V74 L76F31-L46 HydrophobicContact CB-CD1 4.1Å; T34-L46 CarbonylContact O-C 3.54Å; T34-L46 VanDerWaalsContact O-CA 3.29Å; T34-L46 WeakPolarHBondContact O-CA 3.37Å; F35-L46 HydrophobicContact CB-CD2 3.93Å; F35-L46 HydrophobicContact CD2-CD2 4.18Å; L46-C49 WeakPolarHBondContact CB-SG 3.41Å; L46-C49 PolarHBondContact O-SG 2.82Å; L46-V74 PolarHBondContact N-O 3.21Å; L46-V74 PolarHBondContact O-N 2.9Å; L46-L76 HydrophobicContact CD1-CD1 3.61Å; L46-L76 HydrophobicContact CD1-CG 4.33Å; L46-L76 HydrophobicContact CG-CD1 4.5Å
47C96.5Very high92.1Very high33 Ų3362 Ų6222%0.22330%0.303CS..EExtended strand (participates in β ladder)trans-99.8152.8172.5-71.10000111.5G33 T34 K36 C49 G72G33-C47 CarbonylContact C-O 3.56Å; G33-C47 WeakPolarHBondContact CA-O 3.23Å; T34-C47 PolarHBondContact N-O 3.01Å; T34-C47 PolarHBondContact O-N 2.69Å; K36-C47 HydrophobicContact CG-CB 4.29Å; K36-C47 VanDerWaalsContact CG-SG 3.6Å; C47-C49 PolarHBondContact O-N 2.62Å; C47-G72 CarbonylContact C-O 3.58Å
48D95.6Very high91Very high108 Ų10870.3 Ų70.358%0.57833%0.332SS*.EExtended strand (participates in β ladder)trans49.944.9179.6-56.3-46.1000113.3G72D48-G72 PolarHBondContact N-O 3.38Å
49C96.9Very high90.1Very high0 Ų073.3 Ų73.30%035%0.351CS..EExtended strand (participates in β ladder)trans-77.1137.6-172.6-580000112.9I32 L46 C47 L71 G72 V74I32-C49 CarbonylContact O-C 3.51Å; I32-C49 WeakPolarHBondContact O-CA 3.45Å; L46-C49 WeakPolarHBondContact CB-SG 3.41Å; L46-C49 PolarHBondContact O-SG 2.82Å; C47-C49 PolarHBondContact O-N 2.62Å; C49-L71 HydrophobicContact CB-CB 4.3Å; C49-L71 PolarHBondContact O-N 3.25Å; C49-G72 WeakPolarHBondContact CB-O 3.47Å; C49-G72 PolarHBondContact N-O 2.81Å; C49-G72 PolarHBondContact O-N 3.04Å; C49-G72 PolarHBondContact SG-O 2.64Å; C49-V74 HydrophobicContact CB-CB 4.26Å; C49-V74 HydrophobicContact CB-CG2 3.63Å
50D96.9Very high88.9Confident11 Ų1175.1 Ų75.16%0.05938%0.377CS..EExtended strand (participates in β ladder)trans-112.4128.9166.4-67.8-44.2000109.4R20 F31 I32 F52 K68 R69R20-D50 IonicContact NH2-OD2 2.64Å; F31-D50 CarbonylContact C-O 3.57Å; F31-D50 WeakPolarHBondContact CA-O 3.48Å; I32-D50 PolarHBondContact N-O 3.05Å; I32-D50 PolarHBondContact O-N 2.89Å; D50-F52 HydrophobicContact CB-CD2 4.24Å; D50-F52 HydrophobicContact CB-CE2 3.49Å; D50-F52 VanDerWaalsContact CB-CE2 3.49Å; D50-F52 HydrophobicContact CB-CZ 4.02Å; D50-K68 HydrophobicContact CB-CG 4.49Å; D50-K68 WeakPolarHBondContact OD1-CE 3.29Å; D50-K68 IonicContact OD1-NZ 2.7Å; D50-K68 WeakPolarHBondContact OD2-CE 3.02Å; D50-K68 IonicContact OD2-NZ 3.58Å; D50-K68 PolarHBondContact OD2-NZ 3.19Å; D50-R69 CarbonylContact C-O 3.56Å; D50-R69 WeakPolarHBondContact CA-O 3.06Å
51E95.4Very high88.3Confident10 Ų1076.9 Ų76.95%0.04738%0.384CS..EExtended strand (participates in β ladder)trans-92.8129.6168.3177.8-174.9173.200109.3R29 I30 F31 R53 K68 R69 L71R29-E51 WeakPolarHBondContact CD-OE1 3.02Å; R29-E51 IonicContact CZ-OE1 3.63Å; R29-E51 IonicContact NE-OE1 2.81Å; R29-E51 IonicContact NH1-OE1 3.34Å; R29-E51 PolarHBondContact NH1-OE1 3.25Å; I30-E51 CarbonylContact O-C 3.59Å; I30-E51 WeakPolarHBondContact O-CA 3.42Å; F31-E51 HydrophobicContact CD1-CB 4.36Å; F31-E51 HydrophobicContact CE1-CB 4.07Å; F31-E51 HydrophobicContact CE1-CG 4.33Å; F31-E51 HydrophobicContact CE2-CG 4.11Å; F31-E51 HydrophobicContact CZ-CB 4.19Å; F31-E51 HydrophobicContact CZ-CG 3.93Å; E51-R53 HydrophobicContact CG-CG 4.43Å; E51-R53 IonicContact OE1-CZ 3.21Å; E51-R53 IonicContact OE1-NE 2.72Å; E51-R53 PolarHBondContact OE1-NE 3.23Å; E51-R53 IonicContact OE1-NH2 2.84Å; E51-R53 PolarHBondContact OE1-NH2 2.88Å; E51-R53 IonicContact OE2-NH2 3.84Å; E51-K68 CarbonylContact O-C 3.45Å; E51-R69 HydrophobicContact CB-CB 4.42Å; E51-R69 PolarHBondContact N-O 2.93Å; E51-R69 PolarHBondContact O-N 3.15Å; E51-L71 HydrophobicContact CB-CD1 3.75Å; E51-L71 HydrophobicContact CB-CG 4.27Å
52F94.1Very high87.1Confident30 Ų3077.9 Ų77.913%0.13239%0.389CS..EExtended strand (participates in β ladder)trans-115.1127175.6-65.5-94.9000109.9I30 I32 D50 E66 E67 K68I30-F52 HydrophobicContact CB-CB 4.22Å; I30-F52 PolarHBondContact N-O 3.1Å; I30-F52 VanDerWaalsContact N-O 3.08Å; I30-F52 PolarHBondContact O-N 2.78Å; I32-F52 HydrophobicContact CB-CE2 4.09Å; I32-F52 HydrophobicContact CD1-CD2 3.96Å; I32-F52 HydrophobicContact CD1-CE2 3.55Å; I32-F52 HydrophobicContact CD1-CZ 4.22Å; I32-F52 HydrophobicContact CG1-CD2 4.04Å; I32-F52 HydrophobicContact CG1-CE2 3.83Å; D50-F52 HydrophobicContact CB-CD2 4.24Å; D50-F52 HydrophobicContact CB-CE2 3.49Å; D50-F52 VanDerWaalsContact CB-CE2 3.49Å; D50-F52 HydrophobicContact CB-CZ 4.02Å; F52-E66 HydrophobicContact CB-CG 3.79Å; F52-E66 WeakPolarHBondContact CB-OE1 3.35Å; F52-E66 VanDerWaalsContact CD1-CD 3.49Å; F52-E66 HydrophobicContact CD1-CG 3.76Å; F52-E66 HydrophobicContact CG-CG 4.23Å; F52-E66 WeakPolarHBondContact CG-OE1 3.43Å; F52-E67 WeakPolarHBondContact CA-O 3.15Å; F52-K68 HydrophobicContact CD1-CB 4.17Å; F52-K68 HydrophobicContact CD1-CG 4.38Å; F52-K68 HydrophobicContact CE1-CB 3.96Å; F52-K68 HydrophobicContact CE1-CD 4.06Å; F52-K68 HydrophobicContact CE1-CG 3.85Å; F52-K68 HydrophobicContact CZ-CD 4.09Å; F52-K68 HydrophobicContact CZ-CG 4.06Å
53R90.7Very high85.9Confident69 Ų6979.5 Ų79.526%0.2641%0.405SS..EExtended strand (participates in β ladder)trans-112.5128.9175.3-63.8-177.1-178.5179.15110.1R29 E51 I55 E67 R69R29-R53 VanDerWaalsContact NH1-NH2 3.12Å; E51-R53 HydrophobicContact CG-CG 4.43Å; E51-R53 IonicContact OE1-CZ 3.21Å; E51-R53 IonicContact OE1-NE 2.72Å; E51-R53 PolarHBondContact OE1-NE 3.23Å; E51-R53 IonicContact OE1-NH2 2.84Å; E51-R53 PolarHBondContact OE1-NH2 2.88Å; E51-R53 IonicContact OE2-NH2 3.84Å; R53-I55 PolarHBondContact O-N 3.29Å; R53-E67 HydrophobicContact CB-CB 4.42Å; R53-E67 PolarHBondContact N-O 3.48Å; R53-E67 PolarHBondContact O-N 3.24Å; R53-R69 VanDerWaalsContact NH1-NH1 3.15Å
54K79.7Confident84.5Confident130 Ų13083.5 Ų83.557%0.56542%0.422SS*.EExtended strand (participates in β ladder)trans-74.8104.6171.9-177.6163.5173.7131.20109.5K56 E64K54-K56 PolarHBondContact O-N 2.92Å; K54-E64 WeakPolarHBondContact CD-OE1 3.2Å; K54-E64 WeakPolarHBondContact CE-OE1 3.49Å; K54-E64 WeakPolarHBondContact CE-OE2 3.3Å; K54-E64 HydrophobicContact CG-CG 4.4Å; K54-E64 VanDerWaalsContact CG-OE1 3.23Å; K54-E64 WeakPolarHBondContact CG-OE1 3.36Å; K54-E64 IonicContact NZ-OE1 3.87Å; K54-E64 PolarHBondContact NZ-OE1 3.08Å; K54-E64 IonicContact NZ-OE2 3.09Å; K54-E64 PolarHBondContact NZ-OE2 3.34Å
55I80.6Confident83.3Confident74 Ų7492.7 Ų92.738%0.37946%0.457SS..EExtended strand (participates in β ladder)trans-83.5113.9171.5-59.6-177.7000107.9R53 P57 R65 E67R53-I55 PolarHBondContact O-N 3.29Å; I55-P57 WeakPolarHBondContact O-CD 3.38Å; I55-R65 WeakPolarHBondContact CB-O 3.44Å; I55-R65 PolarHBondContact N-O 2.74Å; I55-E67 HydrophobicContact CD1-CB 3.79Å; I55-E67 HydrophobicContact CD1-CG 4.48Å; I55-E67 HydrophobicContact CG1-CB 4.17Å
56K73.4Confident82.4Confident178 Ų17894.7 Ų94.777%0.77447%0.465SS*.  trans-61.8121.3169.4-67.2-175.5-178.4-179.70108.3K54 K58K54-K56 PolarHBondContact O-N 2.92Å; K56-K58 PolarHBondContact O-N 2.76Å
57P74.9Confident82Confident57 Ų5797.8 Ų97.837%0.3748%0.48SS..  trans-64.2132.4-179.825.7-32.8000109.3I55 N59 Q62I55-P57 WeakPolarHBondContact O-CD 3.38Å; P57-N59 PolarHBondContact O-N 2.89Å; P57-Q62 HydrophobicContact CB-CB 4.27Å
58K73.8Confident81.8Confident214 Ų214101.7 Ų101.793%0.9349%0.493SS*.SBendtrans-68.6-17.2175.9-68.2-175.8178.3-178.80112.7K56K56-K58 PolarHBondContact O-N 2.76Å
59N75.8Confident81.8Confident116 Ų116101.2 Ų101.262%0.6248%0.483SS*.SBendtrans-130.2128.8178-83.3-37.7000109.9P57 K61 Q62P57-N59 PolarHBondContact O-N 2.89Å; N59-K61 PolarHBondContact O-N 2.88Å; N59-Q62 PolarHBondContact O-N 2.85Å
60A71Confident81.7Confident114 Ų114106.8 Ų106.894%0.94252%0.517SS*.THydrogen-bonded Turntrans-61.8-10.9-176.200000115.3
61K79.5Confident81.7Confident209 Ų209110 Ų11091%0.90953%0.533SS*.THydrogen-bonded Turntrans-90.9-8.2176.2-77.4-174.6176.5-1780114.5N59N59-K61 PolarHBondContact O-N 2.88Å
62Q70.8Confident81.7Confident131 Ų131110.4 Ų110.461%0.61254%0.541SS*.SBendtrans-93.2134.8179.5-77.5-77.7-14.600110.2P57 N59P57-Q62 HydrophobicContact CB-CB 4.27Å; N59-Q62 PolarHBondContact O-N 2.85Å
63P69.3Low81.8Confident104 Ų104115.1 Ų115.168%0.67557%0.567SS**PPolyproline II helixtrans-59.4146.8175.325.4-33.3000110.5R65P63-R65 PolarHBondContact O-N 3Å; P63-R65 VanDerWaalsContact O-N 3.13Å
64E67.6Low82.1Confident113 Ų113112.9 Ų112.953%0.52856%0.561SS.*PPolyproline II helixtrans-58117.7175.5-167.6-177.6137.600109.1K54K54-E64 WeakPolarHBondContact CD-OE1 3.2Å; K54-E64 WeakPolarHBondContact CE-OE1 3.49Å; K54-E64 WeakPolarHBondContact CE-OE2 3.3Å; K54-E64 HydrophobicContact CG-CG 4.4Å; K54-E64 VanDerWaalsContact CG-OE1 3.23Å; K54-E64 WeakPolarHBondContact CG-OE1 3.36Å; K54-E64 IonicContact NZ-OE1 3.87Å; K54-E64 PolarHBondContact NZ-OE1 3.08Å; K54-E64 IonicContact NZ-OE2 3.09Å; K54-E64 PolarHBondContact NZ-OE2 3.34Å
65R72.3Confident83Confident194 Ų194112.3 Ų112.373%0.73256%0.563SS**EExtended strand (participates in β ladder)trans-101.6119.8-177.7-171.3175.3178.3-176.1-0.8109.2I55 P63I55-R65 WeakPolarHBondContact CB-O 3.44Å; I55-R65 PolarHBondContact N-O 2.74Å; P63-R65 PolarHBondContact O-N 3Å; P63-R65 VanDerWaalsContact O-N 3.13Å
66E79.1Confident83.7Confident94 Ų94109.4 Ų109.444%0.43955%0.549SS..EExtended strand (participates in β ladder)trans-85.6120.5171.6-153.3174.9-173.800108.6F52F52-E66 HydrophobicContact CB-CG 3.79Å; F52-E66 WeakPolarHBondContact CB-OE1 3.35Å; F52-E66 VanDerWaalsContact CD1-CD 3.49Å; F52-E66 HydrophobicContact CD1-CG 3.76Å; F52-E66 HydrophobicContact CG-CG 4.23Å; F52-E66 WeakPolarHBondContact CG-OE1 3.43Å
67E88.3Confident84.9Confident65 Ų65107.8 Ų107.830%0.30454%0.537SS..EExtended strand (participates in β ladder)trans-86.2115.4175.1-175.2-171.3164.100109F52 R53 I55 R69F52-E67 WeakPolarHBondContact CA-O 3.15Å; R53-E67 HydrophobicContact CB-CB 4.42Å; R53-E67 PolarHBondContact N-O 3.48Å; R53-E67 PolarHBondContact O-N 3.24Å; I55-E67 HydrophobicContact CD1-CB 3.79Å; I55-E67 HydrophobicContact CD1-CG 4.48Å; I55-E67 HydrophobicContact CG1-CB 4.17Å; E67-R69 IonicContact OE1-CZ 3.24Å; E67-R69 VanDerWaalsContact OE1-CZ 3.24Å; E67-R69 IonicContact OE1-NE 2.86Å; E67-R69 PolarHBondContact OE1-NE 3.35Å; E67-R69 IonicContact OE1-NH2 2.76Å; E67-R69 PolarHBondContact OE1-NH2 2.96Å; E67-R69 IonicContact OE2-NH2 3.67Å
68K92.1Very high85.9Confident114 Ų114105.6 Ų105.650%0.49653%0.525SS..EExtended strand (participates in β ladder)trans-91129.9177-176.5-179.1-178.2174.20111D50 E51 F52D50-K68 HydrophobicContact CB-CG 4.49Å; D50-K68 WeakPolarHBondContact OD1-CE 3.29Å; D50-K68 IonicContact OD1-NZ 2.7Å; D50-K68 WeakPolarHBondContact OD2-CE 3.02Å; D50-K68 IonicContact OD2-NZ 3.58Å; D50-K68 PolarHBondContact OD2-NZ 3.19Å; E51-K68 CarbonylContact O-C 3.45Å; F52-K68 HydrophobicContact CD1-CB 4.17Å; F52-K68 HydrophobicContact CD1-CG 4.38Å; F52-K68 HydrophobicContact CE1-CB 3.96Å; F52-K68 HydrophobicContact CE1-CD 4.06Å; F52-K68 HydrophobicContact CE1-CG 3.85Å; F52-K68 HydrophobicContact CZ-CD 4.09Å; F52-K68 HydrophobicContact CZ-CG 4.06Å
69R95Very high87Confident98 Ų98101.6 Ų101.637%0.3751%0.51SS..EExtended strand (participates in β ladder)trans-126.1126.1171-63.9-177.7-177-167.6-0110.1D50 E51 R53 E67D50-R69 CarbonylContact C-O 3.56Å; D50-R69 WeakPolarHBondContact CA-O 3.06Å; E51-R69 HydrophobicContact CB-CB 4.42Å; E51-R69 PolarHBondContact N-O 2.93Å; E51-R69 PolarHBondContact O-N 3.15Å; R53-R69 VanDerWaalsContact NH1-NH1 3.15Å; E67-R69 IonicContact OE1-CZ 3.24Å; E67-R69 VanDerWaalsContact OE1-CZ 3.24Å; E67-R69 IonicContact OE1-NE 2.86Å; E67-R69 PolarHBondContact OE1-NE 3.35Å; E67-R69 IonicContact OE1-NH2 2.76Å; E67-R69 PolarHBondContact OE1-NH2 2.96Å; E67-R69 IonicContact OE2-NH2 3.67Å
70V96.1Very high88Confident117 Ų11799.3 Ų99.371%0.70950%0.498SS*.EExtended strand (participates in β ladder)trans-83129.7176.9-1750000108.8
71L95.8Very high89.2Confident78 Ų7895.2 Ų95.241%0.40846%0.46SS..EExtended strand (participates in β ladder)trans-115.6-38.7-178.7-59.8178.8000112.7F31 C49 E51 V74F31-L71 HydrophobicContact CD1-CD1 3.93Å; F31-L71 HydrophobicContact CE1-CD1 3.34Å; F31-L71 HydrophobicContact CZ-CD1 4.28Å; C49-L71 HydrophobicContact CB-CB 4.3Å; C49-L71 PolarHBondContact O-N 3.25Å; E51-L71 HydrophobicContact CB-CD1 3.75Å; E51-L71 HydrophobicContact CB-CG 4.27Å; L71-V74 HydrophobicContact CB-CG2 3.62Å; L71-V74 HydrophobicContact CD1-CG2 3.81Å; L71-V74 HydrophobicContact CG-CG2 4.4Å
72G96.2Very high90Very high20 Ų2089.7 Ų89.721%0.20644%0.444CS..EExtended strand (participates in β ladder)trans88.3-116.9-174.700000112.2C47 D48 C49C47-G72 CarbonylContact C-O 3.58Å; D48-G72 PolarHBondContact N-O 3.38Å; C49-G72 WeakPolarHBondContact CB-O 3.47Å; C49-G72 PolarHBondContact N-O 2.81Å; C49-G72 PolarHBondContact O-N 3.04Å; C49-G72 PolarHBondContact SG-O 2.64Å
73L96.5Very high91.1Very high129 Ų12985.8 Ų85.868%0.67543%0.43SS*.EExtended strand (participates in β ladder)trans-85.2125.7179.1-178.666.1000110.9I45I45-L73 HydrophobicContact CG2-CD1 3.88Å
74V97.4Very high92.4Very high22 Ų2282.8 Ų82.813%0.13341%0.408CS..EExtended strand (participates in β ladder)trans-132.2135.9-177.2-179.70000110.9F31 L46 C49 L71 L76F31-V74 HydrophobicContact CD1-CG1 4.36Å; F31-V74 HydrophobicContact CE1-CG1 4.2Å; L46-V74 PolarHBondContact N-O 3.21Å; L46-V74 PolarHBondContact O-N 2.9Å; C49-V74 HydrophobicContact CB-CB 4.26Å; C49-V74 HydrophobicContact CB-CG2 3.63Å; L71-V74 HydrophobicContact CB-CG2 3.62Å; L71-V74 HydrophobicContact CD1-CG2 3.81Å; L71-V74 HydrophobicContact CG-CG2 4.4Å; V74-L76 HydrophobicContact CG1-CD2 3.77Å; V74-L76 HydrophobicContact CG1-CG 4.03Å
75L96.9Very high93.7Very high117 Ų11780.7 Ų80.761%0.61340%0.403SS*.EExtended strand (participates in β ladder)trans-102.4114.6164-176.3154.8000108.7L44 I45L44-L75 CarbonylContact O-C 3.53Å; L44-L75 WeakPolarHBondContact O-CA 3.39Å; I45-L75 HydrophobicContact CD1-CB 3.89Å; I45-L75 HydrophobicContact CD1-CD1 3.71Å; I45-L75 HydrophobicContact CD1-CG 3.78Å
76L97Very high94.9Very high14 Ų1474.9 Ų74.97%0.07339%0.389CS..EExtended strand (participates in β ladder)trans-94.1137.4172.7-66-179.8000110C23 L25 F31 N43 L44 L46 V74C23-L76 HydrophobicContact CB-CD1 4.08Å; L25-L76 HydrophobicContact CD1-CD1 4.16Å; L25-L76 HydrophobicContact CD1-CD2 4.45Å; L25-L76 HydrophobicContact CD2-CD2 4.48Å; F31-L76 HydrophobicContact CB-CD1 4.14Å; F31-L76 HydrophobicContact CD1-CD2 4.1Å; F31-L76 HydrophobicContact CD2-CD2 4.36Å; F31-L76 HydrophobicContact CE1-CD2 4.03Å; F31-L76 HydrophobicContact CE2-CD2 4.33Å; F31-L76 HydrophobicContact CG-CD1 4.19Å; F31-L76 HydrophobicContact CG-CD2 4.26Å; F31-L76 HydrophobicContact CZ-CD2 4.17Å; N43-L76 CarbonylContact C-O 3.56Å; N43-L76 WeakPolarHBondContact CA-O 3.46Å; L44-L76 HydrophobicContact CB-CB 4.35Å; L44-L76 PolarHBondContact N-O 3.15Å; L44-L76 PolarHBondContact O-N 3Å; L46-L76 HydrophobicContact CD1-CD1 3.61Å; L46-L76 HydrophobicContact CD1-CG 4.33Å; L46-L76 HydrophobicContact CG-CD1 4.5Å; V74-L76 HydrophobicContact CG1-CD2 3.77Å; V74-L76 HydrophobicContact CG1-CG 4.03Å
77R96.9Very high95.7Very high143 Ų14374.5 Ų74.554%0.5439%0.387SS..  trans-82.2129.7173.1-171.6167.2179.281.8-2.3110N43 E79 N80N43-R77 WeakPolarHBondContact OD1-CA 3.44Å; R77-E79 HydrophobicContact CG-CB 4.26Å; R77-E79 IonicContact NE-OE2 3.98Å; R77-E79 PolarHBondContact NE-OE2 2.95Å; R77-E79 PolarHBondContact O-N 3.24Å; R77-N80 PolarHBondContact O-N 3.09Å
78G96.6Very high96.1Very high11 Ų1172.1 Ų72.111%0.11338%0.38CS..G310 helixtrans-67.8-21.3-172.900000115.3H41 M42 N43 N80 L81H41-G78 WeakPolarHBondContact O-CA 3.46Å; M42-G78 WeakPolarHBondContact O-CA 3.48Å; M42-G78 PolarHBondContact O-N 3.18Å; N43-G78 PolarHBondContact OD1-N 3.15Å; G78-N80 VanDerWaalsContact C-N 3.25Å; G78-N80 PolarHBondContact O-N 3.33Å; G78-L81 WeakPolarHBondContact O-CB 3.26Å; G78-L81 PolarHBondContact O-N 3.09Å; G78-L81 VanDerWaalsContact O-N 3.15Å
79E97.1Very high96.2Very high130 Ų13071.6 Ų71.661%0.60739%0.388SS*.G310 helixtrans-58.6-36.8173-175.6178.1174.300112.7Q26 R77Q26-E79 PolarHBondContact NE2-O 2.86Å; R77-E79 HydrophobicContact CG-CB 4.26Å; R77-E79 IonicContact NE-OE2 3.98Å; R77-E79 PolarHBondContact NE-OE2 2.95Å; R77-E79 PolarHBondContact O-N 3.24Å
80N96.2Very high96.2Very high69 Ų6969.3 Ų69.337%0.36939%0.386SS..G310 helixtrans-87.6-6.8-179.5-65.4-41.3000112.7L25 Q26 R77 G78L25-N80 CarbonylContact C-O 3.6Å; L25-N80 WeakPolarHBondContact CA-O 3.44Å; L25-N80 HydrophobicContact CD2-CB 4.44Å; L25-N80 HydrophobicContact CG-CB 4.4Å; Q26-N80 PolarHBondContact N-O 2.82Å; R77-N80 PolarHBondContact O-N 3.09Å; G78-N80 VanDerWaalsContact C-N 3.25Å; G78-N80 PolarHBondContact O-N 3.33Å
81L96.3Very high95.8Very high28 Ų2866.7 Ų66.715%0.14737%0.371CS..EExtended strand (participates in β ladder)trans-81.1124-177.3-176.771.6000110.1C23 M42 L44 G78C23-L81 HydrophobicContact CB-CD1 3.85Å; M42-L81 HydrophobicContact CB-CD2 4.45Å; M42-L81 HydrophobicContact CE-CD2 4.01Å; L44-L81 HydrophobicContact CD1-CD1 3.99Å; L44-L81 HydrophobicContact CD1-CD2 3.64Å; L44-L81 HydrophobicContact CD1-CG 4.45Å; L44-L81 HydrophobicContact CD2-CD2 4.37Å; L44-L81 HydrophobicContact CG-CD2 4.13Å; G78-L81 WeakPolarHBondContact O-CB 3.26Å; G78-L81 PolarHBondContact O-N 3.09Å; G78-L81 VanDerWaalsContact O-N 3.15Å
82V96.1Very high95.2Very high93 Ų9372.9 Ų72.956%0.56440%0.395SS*.EExtended strand (participates in β ladder)trans-95.9-49.6176.8178.70000110.7I24 Q26I24-V82 PolarHBondContact O-N 2.87Å; Q26-V82 HydrophobicContact CB-CG2 4.18Å; Q26-V82 HydrophobicContact CG-CG2 3.55Å
83S94.9Very high93.9Very high48 Ų4878 Ų7834%0.33642%0.418SS..EExtended strand (participates in β ladder)trans-153.6159.6-178.5660000111.7C23 I24C23-S83 WeakPolarHBondContact CA-O 3.43Å; I24-S83 PolarHBondContact N-O 2.84Å; I24-S83 PolarHBondContact O-N 2.88Å
84M95.3Very high92.1Very high41 Ų4177.7 Ų77.720%0.20242%0.421CS..EExtended strand (participates in β ladder)trans-140.7134.2177.2-176.6175.265.100109.8M13 M21 R22 F35 L44M13-M84 HydrophobicContact CE-CE 3.43Å; M13-M84 VanDerWaalsContact CE-CE 3.43Å; M13-M84 HydrophobicContact SD-CE 3.84Å; M21-M84 HydrophobicContact CB-CG 4.01Å; M21-M84 HydrophobicContact CB-SD 3.96Å; M21-M84 HydrophobicContact CE-CE 3.94Å; M21-M84 HydrophobicContact CE-CG 3.38Å; M21-M84 HydrophobicContact CE-SD 3.83Å; M21-M84 HydrophobicContact CG-CG 4.43Å; M21-M84 HydrophobicContact CG-SD 4.06Å; R22-M84 CarbonylContact O-C 3.54Å; R22-M84 VanDerWaalsContact O-CA 3.26Å; R22-M84 WeakPolarHBondContact O-CA 3.23Å; F35-M84 HydrophobicContact CD1-CE 4.49Å; F35-M84 HydrophobicContact CE1-CE 4.36Å; F35-M84 HydrophobicContact CG-SD 4.49Å; F35-M84 HydrophobicContact CZ-CE 4.49Å; L44-M84 HydrophobicContact CD1-SD 3.8Å
85T96.6Very high90.1Very high70 Ų7078.7 Ų78.743%0.42944%0.436SS..EExtended strand (participates in β ladder)trans-136.8147-177.158.70000111M21 R22 E87M21-T85 WeakPolarHBondContact CE-O 3.48Å; R22-T85 PolarHBondContact N-O 3.43Å; R22-T85 PolarHBondContact O-N 2.8Å; T85-E87 PolarHBondContact O-N 3.04Å
86V97.1Very high88Confident71 Ų7180.1 Ų80.143%0.4344%0.442SS..EExtended strand (participates in β ladder)trans-67124.5174.3-178.40000109.5Y19 M21Y19-V86 HydrophobicContact CD1-CG1 3.59Å; Y19-V86 HydrophobicContact CD1-CG2 4.47Å; Y19-V86 HydrophobicContact CE1-CG1 4.29Å; Y19-V86 HydrophobicContact CG-CG1 4.43Å; M21-V86 HydrophobicContact CE-CG2 4.03Å; M21-V86 HydrophobicContact SD-CB 4.27Å; M21-V86 HydrophobicContact SD-CG2 3.79Å
87E95.7Very high85.9Confident87 Ų8784.2 Ų84.241%0.40748%0.478SS..EExtended strand (participates in β ladder)trans-101.6-38.1176.5-168.1-84.8153.700111.3R20 R22 I32 T85R20-E87 WeakPolarHBondContact CD-OE2 3.36Å; R20-E87 VanDerWaalsContact CG-OE2 3.29Å; R20-E87 WeakPolarHBondContact CG-OE2 3.42Å; R20-E87 IonicContact NE-OE2 2.74Å; R20-E87 PolarHBondContact NE-OE2 3.35Å; R20-E87 VanDerWaalsContact NE-OE2 3.09Å; R20-E87 WeakPolarHBondContact O-CA 3.14Å; R20-E87 WeakPolarHBondContact O-CB 3.32Å; R20-E87 PolarHBondContact O-N 2.84Å; R22-E87 HydrophobicContact CB-CB 4.2Å; I32-E87 HydrophobicContact CD1-CG 4.45Å; I32-E87 HydrophobicContact CG2-CB 4.39Å; I32-E87 HydrophobicContact CG2-CG 4.09Å; T85-E87 PolarHBondContact O-N 3.04Å
88G95.6Very high83.8Confident14 Ų1487.5 Ų87.514%0.14449%0.491CS..EExtended strand (participates in β ladder)trans-154.3163.7179.500000113.2Y19 R20Y19-G88 WeakPolarHBondContact CD1-O 3.5Å; R20-G88 PolarHBondContact N-O 2.86Å; R20-G88 VanDerWaalsContact N-O 3.1Å; R20-G88 PolarHBondContact O-N 2.72Å
89P95.3Very high81.6Confident104 Ų10492.9 Ų92.968%0.67552%0.521SS*.PPolyproline II helixtrans-63.3163.3176.930.4-36.2000111P91P89-P91 WeakPolarHBondContact O-CD 3.37Å
90P93.9Very high79.3Confident50 Ų5092.3 Ų92.333%0.32553%0.529SS..PPolyproline II helixtrans-57.1125.9174.8-25.936.3000111.6D18 Y19 K92D18-P90 HydrophobicContact CB-CB 4.06Å; D18-P90 HydrophobicContact CB-CG 4.48Å; D18-P90 WeakPolarHBondContact O-CA 3.36Å; D18-P90 VanDerWaalsContact O-CB 3.3Å; D18-P90 WeakPolarHBondContact O-CB 3.22Å; Y19-P90 HydrophobicContact CD1-CG 4.18Å; Y19-P90 HydrophobicContact CD2-CG 3.52Å; Y19-P90 HydrophobicContact CE1-CG 4.21Å; Y19-P90 HydrophobicContact CE2-CG 3.52Å; Y19-P90 HydrophobicContact CG-CG 3.85Å; P90-K92 PolarHBondContact O-N 3.38Å
91P89.5Confident77.2Confident62 Ų6295.7 Ų95.740%0.40355%0.546SS..PPolyproline II helixtrans-57135.1169-2233.6000109.2D18 P89 D93D18-P91 WeakPolarHBondContact O-CD 3.46Å; P89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-D93 PolarHBondContact O-N 3.17Å
92K82.7Confident75.2Confident207 Ų20799.2 Ų99.290%0.958%0.579SS**  trans-65.3110.1174.2-54.1179.6-174.8-177.80106.7P90 T94P90-K92 PolarHBondContact O-N 3.38Å; K92-T94 PolarHBondContact O-N 3.3Å
93D69.2Low73.4Confident129 Ų12998.6 Ų98.669%0.6959%0.591SS**  trans-23.3109.3-171-99.9-53.9000115.3P91 G95P91-D93 PolarHBondContact O-N 3.17Å; D93-G95 VanDerWaalsContact C-N 3.27Å; D93-G95 PolarHBondContact O-N 2.77Å
94T58.4Low71.6Confident122 Ų122100 Ų10075%0.74861%0.607SS**  trans-89.679.8147.544.20000106.3K92 I96K92-T94 PolarHBondContact O-N 3.3Å; T94-I96 PolarHBondContact O-N 3.05Å
95G55.8Low69.4Low42 Ų42102.4 Ų102.443%0.43363%0.633SS.*  trans-54.8124.3-174.700000111.6D93D93-G95 VanDerWaalsContact C-N 3.27Å; D93-G95 PolarHBondContact O-N 2.77Å
96I52.4Low67.7Low147 Ų147102.5 Ų102.575%0.75465%0.648SS**  trans58.3124.4159.9-50.7157.6000112.8T94 R98T94-I96 PolarHBondContact O-N 3.05Å; I96-R98 PolarHBondContact O-N 2.9Å
97A52.6Low65.7Low100 Ų100100.9 Ų100.983%0.82665%0.645SS**  trans-54.187.2158.200000108.9V99A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.87Å
98R52.8Low63.6Low212 Ų212104 Ų10480%0.867%0.673SS**  trans-67.2103.2162.1-69.4-174.8176.6179.8-0.7102.8I96 P100I96-R98 PolarHBondContact O-N 2.9Å; R98-P100 WeakPolarHBondContact O-CD 3.31Å; R98-P100 VanDerWaalsContact O-N 3.1Å
99V50.7Low61.8Low124 Ų124106.9 Ų106.975%0.75270%0.703SS**  trans-34122.5146.4176.20000105.2A97 L101A97-V99 VanDerWaalsContact C-N 3.3Å; A97-V99 PolarHBondContact O-N 2.87Å; V99-L101 VanDerWaalsContact C-N 3.29Å; V99-L101 PolarHBondContact O-N 2.91Å
100P49Very low59.9Low119 Ų119107.4 Ų107.477%0.77370%0.704SS**  trans-52.9103.8177.3-25.633.4000107.2R98 A102R98-P100 WeakPolarHBondContact O-CD 3.31Å; R98-P100 VanDerWaalsContact O-N 3.1Å; P100-A102 VanDerWaalsContact C-N 3.34Å; P100-A102 PolarHBondContact O-N 3.47Å
101L52.3Low58.3Low139 Ų139108.4 Ų108.473%0.72872%0.724SS**  trans-64.6110.4164.8-175.967.9000102.5V99 G103 A104V99-L101 VanDerWaalsContact C-N 3.29Å; V99-L101 PolarHBondContact O-N 2.91Å; L101-G103 PolarHBondContact O-N 3.16Å; L101-A104 PolarHBondContact O-N 3.43Å
102A53.3Low56.8Low103 Ų103116.8 Ų116.885%0.85175%0.747SS**THydrogen-bonded Turntrans-47.8107.417400000107.5P100P100-A102 VanDerWaalsContact C-N 3.34Å; P100-A102 PolarHBondContact O-N 3.47Å
103G57.7Low55.8Low79 Ų79111.7 Ų111.781%0.81474%0.744SS**THydrogen-bonded Turntrans126.3-11.1-176.800000117.3L101L101-G103 PolarHBondContact O-N 3.16Å
104A57.8Low55Low79 Ų79110.2 Ų110.265%0.65375%0.75SS**  trans-99.416.9-178.500000115.3L101L101-A104 PolarHBondContact O-N 3.43Å
105A49.9Very low54.7Low91 Ų91108.1 Ų108.175%0.75275%0.752SS**  trans-103.7103.8166.100000108.2G107A105-G107 PolarHBondContact O-N 3.32Å
106G59.8Low54.7Low72 Ų72118.2 Ų118.274%0.74278%0.777SS**  trans-64.182.1158.200000108.5
107G54.6Low54.6Low37 Ų37114.5 Ų114.538%0.38178%0.775SS.*  trans-70.7163.7168.500000110.7A105 G109A105-G107 PolarHBondContact O-N 3.32Å; G107-G109 PolarHBondContact O-N 3.31Å
108P52.7Low54.4Low151 Ų151116.4 Ų116.498%0.98178%0.776SS**THydrogen-bonded Turntrans-56112.8171-17.930.1000108.9
109G57.8Low54.2Low76 Ų76111.8 Ų111.878%0.78477%0.774SS**THydrogen-bonded Turntrans134.211.9-17100000115.8G107 G111G107-G109 PolarHBondContact O-N 3.31Å; G109-G111 PolarHBondContact O-N 3.19Å
110V54.2Low54.3Low114 Ų114111.2 Ų111.269%0.69178%0.782SS**  trans-59.5106.6168.9-178.30000108.9R112V110-R112 PolarHBondContact O-N 3.42Å
111G61.4Low54.6Low72 Ų72109 Ų10974%0.74278%0.781SS**  trans-62.5104.4174.100000109.6G109 A113G109-G111 PolarHBondContact O-N 3.19Å; G111-A113 PolarHBondContact O-N 2.65Å
112R58.2Low54.2Low237 Ų237108.4 Ų108.489%0.89478%0.783SS**  trans-61.4117.7160.5-87.7-171.2175.3-177.2-0.5106.5V110 A114V110-R112 PolarHBondContact O-N 3.42Å; R112-A114 PolarHBondContact O-N 3.1Å
113A61.6Low53.9Low101 Ų101109.2 Ų109.284%0.83578%0.779SS**  trans-54.3110.9165.200000107.7G111 G115G111-A113 PolarHBondContact O-N 2.65Å; A113-G115 PolarHBondContact O-N 3.31Å; A113-G115 VanDerWaalsContact O-N 3.09Å
114A53.2Low53.7Low98 Ų98113 Ų11381%0.8178%0.78SS**  trans-64.9110.5175.100000107.3R112 R116R112-A114 PolarHBondContact O-N 3.1Å; A114-R116 PolarHBondContact O-N 2.92Å; A114-R116 VanDerWaalsContact O-N 3.15Å
115G51.2Low53.4Low77 Ų77114.8 Ų114.879%0.79478%0.784SS**  trans-51.2119.5178.100000110.4A113 G117A113-G115 PolarHBondContact O-N 3.31Å; A113-G115 VanDerWaalsContact O-N 3.09Å; G115-G117 PolarHBondContact O-N 3.07Å
116R56.5Low53.8Low254 Ų254119.7 Ų119.796%0.95879%0.791SS**SBendtrans-74.8110.6176.3176.9148.2160.9157.4-10.4109.1A114A114-R116 PolarHBondContact O-N 2.92Å; A114-R116 VanDerWaalsContact O-N 3.15Å
117G49.1Very low53.3Low70 Ų70120.5 Ų120.572%0.72279%0.791SS**  trans11192.516000000114.7G115G115-G117 PolarHBondContact O-N 3.07Å
118V48.7Very low53.3Low140 Ų140124.9 Ų124.985%0.84881%0.813SS**  trans-118.4126.8151.3-1660000106
119P47.8Very low53.6Low115 Ų115123 Ų12375%0.74781%0.811SS**  trans-66.6140.4-168.924.9-33.4000112.6G121P119-G121 PolarHBondContact O-N 2.79Å
120A53.9Low53.9Low111 Ų111122.7 Ų122.792%0.91781%0.807SS**SBendtrans-62.3124.2168.400000109.7
121G55.5Low54.3Low74 Ų74125.7 Ų125.776%0.76382%0.818SS**  trans151.830.5168.800000118.6P119P119-G121 PolarHBondContact O-N 2.79Å
122V44Very low54.1Low125 Ų125127 Ų12776%0.75882%0.821SS**  trans-124.4129.3173.5-1650000110.3
123P46.7Very low54.4Low120 Ų120118.2 Ų118.278%0.77981%0.805SS**PPolyproline II helixtrans-70.2132.1-179-6.522.3000110.2P125P123-P125 WeakPolarHBondContact O-CD 3.5Å
124I52.4Low54.5Low160 Ų160120 Ų12082%0.82181%0.808SS**PPolyproline II helixtrans-79.3124.1179.1-58169.1000109
125P52.5Low54.6Low115 Ų115121 Ų12175%0.74780%0.804SS**PPolyproline II helixtrans-71.5129.3162.4-12.728.9000109.5P123 A127P123-P125 WeakPolarHBondContact O-CD 3.5Å; P125-A127 PolarHBondContact O-N 3.35Å
126Q57.3Low54.8Low194 Ų194129.3 Ų129.391%0.90781%0.811SS**PPolyproline II helixtrans-52.6125.8177.7-77.1170-74.700111.7
127A50.8Low55.1Low90 Ų90120.7 Ų120.774%0.74480%0.801SS**PPolyproline II helixtrans-76.6141.3170.300000110.6P125P125-A127 PolarHBondContact O-N 3.35Å
128P54.3Low55.6Low128 Ų128123.9 Ų123.983%0.83181%0.807SS**PPolyproline II helixtrans-60.4138.3-177.8-23.233000113.9G130P128-G130 PolarHBondContact O-N 2.82Å
129A59.1Low56.3Low113 Ų113121.1 Ų121.193%0.93481%0.806SS**SBendtrans-66.5110.2173.500000110.3
130G63.2Low57.3Low68 Ų68118.7 Ų118.770%0.70180%0.802SS**  trans179.4-15.3177.600000118.8P128P128-G130 PolarHBondContact O-N 2.82Å
131L63.6Low57.6Low178 Ų178119.3 Ų119.393%0.93280%0.797SS**  trans-112.959.4173-100.584.8000111.3G133L131-G133 PolarHBondContact O-N 2.88Å; L131-G133 VanDerWaalsContact O-N 3.15Å
132A55.8Low57.7Low98 Ų98119.4 Ų119.481%0.8179%0.786SS**  trans-65110.7162.900000108.1
133G65Low58.4Low54 Ų54122.1 Ų122.156%0.55779%0.79SS**PPolyproline II helixtrans-59.5162168.600000111.2L131 V135L131-G133 PolarHBondContact O-N 2.88Å; L131-G133 VanDerWaalsContact O-N 3.15Å; G133-V135 PolarHBondContact O-N 3.04Å
134P62.8Low59.1Low138 Ų138124.5 Ų124.590%0.89679%0.791SS**PPolyproline II helixtrans-52.7126-179.5-22.631000111.2R136P134-R136 PolarHBondContact O-N 3.39Å
135V55.3Low59.4Low118 Ų118122.6 Ų122.672%0.71579%0.786SS**PPolyproline II helixtrans-59.4124.7-179.6175.30000109.4G133 G137G133-V135 PolarHBondContact O-N 3.04Å; V135-G137 PolarHBondContact O-N 3.11Å
136R55.9Low59.8Low253 Ų253125.3 Ų125.396%0.95579%0.791SS**THydrogen-bonded Turntrans-62.3106.6170.7-173.2179.6-169.81672.7108.5P134P134-R136 PolarHBondContact O-N 3.39Å
137G63.3Low60.1Low72 Ų72121.3 Ų121.374%0.74278%0.78SS**THydrogen-bonded Turntrans127.820.2163.200000119V135V135-G137 PolarHBondContact O-N 3.11Å
138V59.1Low60.5Low138 Ų138123 Ų12384%0.83678%0.783SS**SBendtrans-125.9110.7171.1-165.70000110.4
139G64.3Low60.6Low81 Ų81126.6 Ų126.684%0.83579%0.789SS**SBendtrans106.123.5164.400000118.6
140G68.7Low60.2Low65 Ų65125 Ų12567%0.6778%0.783SS**PPolyproline II helixtrans-93144.8170.800000112.6
141P60.5Low59.2Low124 Ų124133.9 Ų133.981%0.80580%0.796SS**PPolyproline II helixtrans-58.1140.5177.923.4-31.7000111.4
142S57.6Low58.1Low75 Ų75129.1 Ų129.152%0.52479%0.79SS.*PPolyproline II helixtrans-55.9147.2-171.864.60000114Q144 V145S142-Q144 PolarHBondContact O-N 3.32Å; S142-V145 PolarHBondContact O-N 3.25Å; S142-V145 VanDerWaalsContact O-N 3.14Å
143Q58.8Low57.3Low182 Ų182130.9 Ų130.985%0.8579%0.79SS**G310 helixtrans-59-11.6-177.9-71.9-157.712.800114.8V145 M146Q143-V145 PolarHBondContact O-N 3.21Å; Q143-M146 PolarHBondContact O-N 2.73Å
144Q59.9Low56Low171 Ų171135.1 Ų135.180%0.79981%0.805SS**G310 helixtrans-72.7-15.2177-68.9-178.4-4.900113.3S142S142-Q144 PolarHBondContact O-N 3.32Å
145V60.3Low54.7Low119 Ų119133.5 Ų133.572%0.72180%0.803SS**G310 helixtrans-88.3-9.3179.9-171.30000112.3S142 Q143S142-V145 PolarHBondContact O-N 3.25Å; S142-V145 VanDerWaalsContact O-N 3.14Å; Q143-V145 PolarHBondContact O-N 3.21Å
146M60.6Low53.9Low173 Ų173132.7 Ų132.785%0.85281%0.809SS**SBendtrans-105.47.6-174-92.3-174.1171.600115.8Q143 P148Q143-M146 PolarHBondContact O-N 2.73Å; M146-P148 WeakPolarHBondContact O-CD 3.29Å
147T64.1Low52.9Low110 Ų110125.5 Ų125.568%0.67580%0.803SS**  trans-87.7113.1179.638.40000112.8Q149T147-Q149 PolarHBondContact O-N 3.06Å
148P59.1Low51.6Low124 Ų124126.5 Ų126.581%0.80581%0.805SS**  trans-71.8124.2164.928.3-32.1000110.1M146 G150M146-P148 WeakPolarHBondContact O-CD 3.29Å; P148-G150 PolarHBondContact O-N 3.38Å; P148-G150 VanDerWaalsContact O-N 3.09Å
149Q55.5Low50.4Low205 Ų205126.7 Ų126.796%0.95881%0.806SS**  trans-68.7102170.5-95.6165.2-49.800110.1T147T147-Q149 PolarHBondContact O-N 3.06Å
150G50.4Low48.9Very low78 Ų78127.1 Ų127.180%0.80480%0.802SS**  trans-84.6123.5167.500000111.2P148P148-G150 PolarHBondContact O-N 3.38Å; P148-G150 VanDerWaalsContact O-N 3.09Å
151R42.6Very low47.4Very low256 Ų256128.7 Ų128.797%0.96681%0.808SS**  trans-120.3126163.3-114.7-175.7177.8167.5-0.1108.4
152G39.9Very low46.1Very low78 Ų78129.7 Ų129.780%0.80481%0.812SS**  trans109.686.5148.200000117
153T40.2Very low45Very low134 Ų134130 Ų13082%0.82282%0.819SS**  trans-54.5145.6158.942.30000114.4
154V36.1Very low43.9Very low144 Ų144126.3 Ų126.387%0.87381%0.813SS**  -165.2129.9115.7-86.30000112.6
155A36.3Very low42.7Very low103 Ų103125.7 Ų125.785%0.85181%0.814SS**  trans6.7140158.900000123.4
156A38.8Very low41.4Very low101 Ų101124.9 Ų124.984%0.83582%0.82SS**  trans-70.7149.7162.900000113.5
157A34.5Very low40.1Very low102 Ų102120.4 Ų120.484%0.84382%0.818SS**  trans-160.5128.1140.500000109.6
158A36.3Very low38.9Very low93 Ų93119.7 Ų119.777%0.76982%0.823SS**  trans-83.6171.9168.600000110.8
159V32.9Very low38.6Very low143 Ų143119.1 Ų119.187%0.86782%0.819SS**  trans116134.2152.3-173.70000115.7
160A33.4Very low37.9Very low90 Ų90114.7 Ų114.774%0.74481%0.807SS**  trans96.5101.7158.500000118.4
161A37.8Very low37.1Very low98 Ų98119.3 Ų119.381%0.8181%0.807SS**  trans-62.5137.7150.500000111
162T33Very low37.1Very low145 Ų145118.1 Ų118.189%0.8980%0.804SS**  trans-157.7148.2140.9-25.40000110.2
163A35Very low37.5Very low80 Ų80119.8 Ų119.866%0.66180%0.801SS**  trans-90148-167.900000112.3
164S35.3Very low37.9Very low105 Ų105119.4 Ų119.473%0.73480%0.801SS**  trans78.3139133.8-46.40000122.3
165I34.5Very low38.2Very low159 Ų159116.2 Ų116.282%0.81580%0.797SS**  trans105.7121.5139.8-42.6-161.7000119.4
166A34Very low38.5Very low102 Ų102123 Ų12384%0.84380%0.8SS**  trans77.7133.4146.500000122.2
167G33.3Very low38.6Very low78 Ų78122 Ų12280%0.80480%0.8SS**  trans145.488.114800000115.5
168A38.6Very low39.3Very low95 Ų95123.2 Ų123.279%0.78580%0.797SS**  trans-72.8-168.6163.600000111.4
169P53Low40.1Very low112 Ų112124.3 Ų124.373%0.72780%0.797SS**  -119.4-161.8-62.332.9-15.3000110.6
170T39.5Very low41.3Very low113 Ų113123.1 Ų123.169%0.69379%0.791SS**  trans89.7136.1165.5-28.40000111.7
171Q35Very low42.4Very low175 Ų175124.2 Ų124.282%0.81879%0.791SS**  cis-174.3141.442.2-148.3152.723.700107.8
172Y41.5Very low43.2Very low230 Ų230125.4 Ų125.490%0.90279%0.79SS**PPolyproline II helixtrans-68.4140.9170.9-99.5-97.9000111.1
173P48.3Very low44.4Very low113 Ų113126.1 Ų126.173%0.73480%0.795SS**PPolyproline II helixtrans-101.9148.415729.6-18000112.2
174P49.4Very low44.9Very low127 Ų127125.3 Ų125.383%0.82579%0.793SS**PPolyproline II helixtrans-96.9149.5-166.937-33.8000114.2
175G42.1Very low45.7Very low76 Ų76131.9 Ų131.978%0.78480%0.802SS**  trans78.3111136.400000119.4
176R43.1Very low46Very low246 Ų246129 Ų12993%0.92880%0.803SS**  -168.3113.9119.8-122.7-179.3178.2-1660.1110.3T178R176-T178 PolarHBondContact O-N 3.44Å
177G40.8Very low47.1Very low80 Ų80130.2 Ų130.283%0.82580%0.799SS**PPolyproline II helixtrans-65.7128.4175.600000111.4
178T48.8Very low48Very low128 Ų128131.9 Ų131.979%0.78580%0.796SS**PPolyproline II helixtrans-87.9132164.9530000108.5R176R176-T178 PolarHBondContact O-N 3.44Å
179P54.1Low48.7Very low116 Ų116131.7 Ų131.775%0.75379%0.787SS**PPolyproline II helixtrans-67.9147.6175.827.7-31.7000110.5
180P56.4Low48.6Very low117 Ų117133.1 Ų133.176%0.7680%0.796SS**PPolyproline II helixtrans-67.2144.8176.128.1-32.8000110.4
181P56.8Low49.4Very low114 Ų114131.4 Ų131.474%0.7480%0.801SS**PPolyproline II helixtrans-64.2146.5174.227.4-32.8000110.3V183P181-V183 PolarHBondContact O-N 3.44Å
182P56Low50.4Low122 Ų122130.1 Ų130.179%0.79280%0.799SS**PPolyproline II helixtrans-68.2129.1-17827.2-31.7000110.3G184P182-G184 PolarHBondContact O-N 3.48Å
183V56.7Low51.2Low161 Ų161127.8 Ų127.898%0.97680%0.798SS**  trans-62.4100.9161.6171.50000106.9P181P181-V183 PolarHBondContact O-N 3.44Å
184G46.8Very low51.7Low62 Ų62126.3 Ų126.364%0.63980%0.795SS**  trans-158.697.3-175.200000111.7P182P182-G184 PolarHBondContact O-N 3.48Å
185R52Low52.2Low243 Ų243125.6 Ų125.692%0.91779%0.79SS**  trans57.174.6147.7-155.8172.6-174.6170.70.1115.7T187R185-T187 PolarHBondContact O-N 3.44Å
186A41Very low53Low100 Ų100126.7 Ų126.783%0.82678%0.784SS**  trans-69.4114162.500000109.9
187T55.9Low53.7Low126 Ų126121.7 Ų121.777%0.77378%0.783SS**PPolyproline II helixtrans-55.7131.3160.242.20000109.9R185R185-T187 PolarHBondContact O-N 3.44Å
188P52.1Low54.7Low113 Ų113121.5 Ų121.573%0.73478%0.782SS**PPolyproline II helixtrans-70.1148.5177.327.6-30.8000110.8
189P52.7Low55.1Low91 Ų91124 Ų12459%0.59179%0.786SS**PPolyproline II helixtrans-61.8145.2178.125.5-33000111G191P189-G191 PolarHBondContact O-N 2.78Å
190P51.7Low55.4Low142 Ų142129.7 Ų129.792%0.92279%0.793SS**THydrogen-bonded Turntrans-66.7119.8177.3-10.525.1000109.4
191G57.3Low55.4Low78 Ų78129.4 Ų129.480%0.80479%0.791SS**THydrogen-bonded Turntrans1378.2168.400000118.3P189P189-G191 PolarHBondContact O-N 2.78Å
192I55.6Low55.5Low148 Ų148130 Ų13076%0.75980%0.795SS**  trans-124.699.8171.63.4175.9000109.4A194I192-A194 PolarHBondContact O-N 2.84Å
193M56.8Low55.3Low181 Ų181132.8 Ų132.889%0.89280%0.799SS**PPolyproline II helixtrans-58.2119.1175.1-173.1149.882.600109.3
194A58.9Low55.3Low81 Ų81127.7 Ų127.767%0.66978%0.779SS**PPolyproline II helixtrans-60.1137166.900000108.6I192I192-A194 PolarHBondContact O-N 2.84Å
195P60.8Low56.1Low112 Ų112130.3 Ų130.373%0.72779%0.785SS**PPolyproline II helixtrans-63.9143.1177.425.9-31.7000109.7
196P59Low56.1Low100 Ų100124.8 Ų124.865%0.64978%0.781SS**PPolyproline II helixtrans-54.6134.6-179.2-23.531.8000111.6G198P196-G198 PolarHBondContact O-N 3.11Å; P196-G198 VanDerWaalsContact O-N 3.1Å
197P58.4Low56.7Low140 Ų140128.6 Ų128.691%0.90979%0.786SS**THydrogen-bonded Turntrans-60.6114.4171-20.832.4000109.8
198G60.3Low56.6Low77 Ų77125.9 Ų125.979%0.79478%0.782SS**THydrogen-bonded Turntrans146.4-11.6174.500000117.2P196P196-G198 PolarHBondContact O-N 3.11Å; P196-G198 VanDerWaalsContact O-N 3.1Å
199M57.6Low56.6Low179 Ų179128.3 Ų128.388%0.88279%0.788SS**  trans-98.995.9176.6-83.6180149.100111.4
200R60Low56.5Low236 Ų236129.1 Ų129.189%0.89179%0.794SS**PPolyproline II helixtrans-67.5130.3165.4-72.1173.9172-110.30.4108.9
201P57Low56.3Low111 Ų111128.7 Ų128.772%0.72179%0.791SS**PPolyproline II helixtrans-60.1147.6165.2-16.828.9000109.8M203P201-M203 PolarHBondContact O-N 3.28Å
202P58.2Low55.6Low127 Ų127129.5 Ų129.583%0.82579%0.79SS**PPolyproline II helixtrans-60.6128.317326.1-31.6000108.7G204P202-G204 PolarHBondContact O-N 3.48Å; P202-G204 VanDerWaalsContact O-N 3.12Å
203M52.6Low55.2Low180 Ų180134 Ų13489%0.88780%0.798SS**PPolyproline II helixtrans-47.1117.7171.1-98.3-118.5-64.700109.7P201P201-M203 PolarHBondContact O-N 3.28Å
204G57.6Low55Low54 Ų54128.8 Ų128.856%0.55779%0.79SS**PPolyproline II helixtrans-62.2150.7160.900000109.7P202P202-G204 PolarHBondContact O-N 3.48Å; P202-G204 VanDerWaalsContact O-N 3.12Å
205P62.6Low54.5Low117 Ų117131.1 Ų131.176%0.7680%0.796SS**PPolyproline II helixtrans-62.2149.3178.226.8-32.4000110.5I207P205-I207 PolarHBondContact O-N 2.82Å
206P53.1Low53.8Low128 Ų128131.9 Ų131.983%0.83180%0.801SS**PPolyproline II helixtrans-64120-174.425-32.5000110.9
207I53.5Low53.3Low180 Ų180135.7 Ų135.792%0.92381%0.814SS**PPolyproline II helixtrans-80116.9163-65.7177.9000106.7P205P205-I207 PolarHBondContact O-N 2.82Å
208G53.9Low53.3Low68 Ų68132.3 Ų132.370%0.70180%0.804SS**  trans155.850.7170.500000116.2
209L52Low53Low164 Ų164137.5 Ų137.586%0.85981%0.81SS**  trans-118.5127.6160.1-132.978.8000108.2
210P50Low53Low109 Ų109133.6 Ų133.671%0.70880%0.798SS**  trans-66.5144.9179.427.6-33.3000110.1A212P210-A212 PolarHBondContact O-N 3.17Å
211P47.7Very low52.9Low133 Ų133127 Ų12786%0.86479%0.786SS**  trans-69.9105.7175.272.7000109.3R213P211-R213 PolarHBondContact O-N 3.32Å; P211-R213 VanDerWaalsContact O-N 3.1Å
212A43.1Very low52.9Low95 Ų95128.6 Ų128.679%0.78580%0.796SS**  trans-64.6106.3163.700000108.8P210P210-A212 PolarHBondContact O-N 3.17Å
213R47.1Very low53Low243 Ų243126.4 Ų126.492%0.91780%0.797SS**SBendtrans23.4101.9131.7-168.7171.3175.4160.6-2.7115.7P211P211-R213 PolarHBondContact O-N 3.32Å; P211-R213 VanDerWaalsContact O-N 3.1Å
214G51.4Low53.4Low71 Ų71125.6 Ų125.673%0.73279%0.793SS**  trans77.798.6141.300000117.3
215T48.4Very low53.7Low129 Ų129134.2 Ų134.279%0.79181%0.808SS**  trans-132131.5152.752.40000109.1I217T215-I217 PolarHBondContact O-N 3.17Å
216P46Very low53.6Low129 Ų129133.9 Ų133.984%0.83881%0.806SS**  trans-71126.5177.827.2-30.6000109.8G218P216-G218 PolarHBondContact O-N 3.33Å
217I49.3Very low54.1Low180 Ų180133.1 Ų133.192%0.92380%0.801SS**SBendtrans-65.2115.3170.1-64.6176.8000107.6T215T215-I217 PolarHBondContact O-N 3.17Å
218G58.2Low54.6Low68 Ų68129.3 Ų129.370%0.70179%0.788SS**  trans172.811.9176.400000119.4P216P216-G218 PolarHBondContact O-N 3.33Å
219M53.7Low54.7Low186 Ų186132.8 Ų132.892%0.91680%0.798SS**  trans-107119.7175.5-100.3169.866.100111.7
220P58.1Low55.1Low97 Ų97128.6 Ų128.663%0.6380%0.795SS**PPolyproline II helixtrans-70.6156.1170.228.4-31.4000111.1
221P57.7Low55.6Low99 Ų99130.7 Ų130.764%0.64380%0.798SS**PPolyproline II helixtrans-58146.6-177-20.530.3000112.9G223P221-G223 PolarHBondContact O-N 2.92Å; P221-G223 VanDerWaalsContact O-N 3.16Å
222P57Low56.1Low143 Ų143135.8 Ų135.893%0.92980%0.801SS**THydrogen-bonded Turntrans-60.6118.5175.8-19.431.3000110.8
223G59.1Low57Low81 Ų81133.5 Ų133.584%0.83579%0.786SS**THydrogen-bonded Turntrans133.8-13.4173.800000115.9P221P221-G223 PolarHBondContact O-N 2.92Å; P221-G223 VanDerWaalsContact O-N 3.16Å
224M62.2Low57.8Low163 Ų163127.9 Ų127.980%0.80378%0.781SS**  trans-10699.4174.8-76.8-178.8154.500110.5
225R63.5Low58.5Low236 Ų236129 Ų12989%0.89178%0.775SS**PPolyproline II helixtrans-65.5129.5167-105.1178.7171.2-1260.8108.7
226P59.9Low59.2Low110 Ų110127.1 Ų127.171%0.71477%0.765SS**PPolyproline II helixtrans-62.9143.2169.225.2-30.7000109.6
227P64.8Low59.8Low112 Ų112127.8 Ų127.873%0.72777%0.769SS**PPolyproline II helixtrans-62.4143.4175.626.2-32.7000109.8
228P64.1Low60.4Low99 Ų99123 Ų12364%0.64377%0.765SS**PPolyproline II helixtrans-58.8138.7179.721.7-30.5000110.7G230P228-G230 PolarHBondContact O-N 2.93Å
229P55Low60.8Low141 Ų141127.1 Ų127.192%0.91677%0.768SS**THydrogen-bonded Turntrans-63.3118.9175.9-15.328.2000109.3
230G60.4Low61.4Low76 Ų76129 Ų12978%0.78476%0.764SS**THydrogen-bonded Turntrans139.1-8.1168.100000117.7P228P228-G230 PolarHBondContact O-N 2.93Å
231I60.9Low62Low153 Ų153129.6 Ų129.679%0.78577%0.768SS**  trans-10883.1176.5-54.6-177.5000109.4G233I231-G233 PolarHBondContact O-N 3.11Å; I231-G233 VanDerWaalsContact O-N 3.11Å
232R57.6Low62.2Low241 Ų241131.1 Ų131.191%0.90978%0.778SS**  trans-66.1104.5163.6-172.6175-175.1174.31.1106.6
233G61.7Low62.3Low46 Ų46134.9 Ų134.947%0.47477%0.774SS.*PPolyproline II helixtrans-53.4152.917100000110.7I231I231-G233 PolarHBondContact O-N 3.11Å; I231-G233 VanDerWaalsContact O-N 3.11Å
234P65.8Low62.5Low125 Ų125140.7 Ų140.781%0.81280%0.797SS**PPolyproline II helixtrans-55.3140.7-179.223.3-32.5000110
235P64.3Low62.5Low94 Ų94139.6 Ų139.661%0.6180%0.797SS**PPolyproline II helixtrans-59.6143179.925-32.9000110
236P63.1Low62.5Low90 Ų90134.5 Ų134.558%0.58479%0.792SS**PPolyproline II helixtrans-57.2143.8176.221.2-30.1000110.5G238P236-G238 PolarHBondContact O-N 3.48Å; P236-G238 VanDerWaalsContact O-N 3.14Å
237P59.7Low62.6Low143 Ų143135.8 Ų135.893%0.92980%0.796SS**THydrogen-bonded Turntrans-56.4120.8-179.1-22.131.7000110.7
238G62.2Low62.5Low80 Ų80137.2 Ų137.283%0.82580%0.8SS**THydrogen-bonded Turntrans126.2-9.3172.600000116.5P236 R240P236-G238 PolarHBondContact O-N 3.48Å; P236-G238 VanDerWaalsContact O-N 3.14Å; G238-R240 PolarHBondContact O-N 3.14Å
239M66.2Low62.4Low155 Ų155139.6 Ų139.676%0.76481%0.81SS**  trans-94.698.1175.4-75.7-172.715600111.5
240R65.6Low62.9Low225 Ų225139.5 Ų139.585%0.84980%0.803SS**PPolyproline II helixtrans-78.4133.9165.6-75.6-178.3175.3-125.9-1.8109.5G238G238-R240 PolarHBondContact O-N 3.14Å
241P71.3Confident63.1Low110 Ų110144.1 Ų144.171%0.71480%0.804SS**PPolyproline II helixtrans-69149.8172.927.4-31.7000111.1
242P61.4Low63.2Low131 Ų131143.4 Ų143.485%0.85181%0.806SS**PPolyproline II helixtrans-66.4138.4173.628-32000109.9
243R59.5Low63.7Low221 Ų221135.3 Ų135.383%0.83480%0.797SS**PPolyproline II helixtrans-79.4149176.8-72.3-175.7-176.9-137.5-1.2110.4
244P63.7Low63.9Low203 Ų203143.4 Ų143.4100%1.31883%0.826SS**  trans-65.80-178.828.1-35.1000113.2

Retrieved 244 of 244 residues in 135.1 ms (Link to these results)

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