A0A5K4FAN3_SCHMA Loading...

ADF-H domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1M45.1Very low82.5Confident241 Ų241106.2 Ų106.2100%1.18753%0.532SS*.  0118.60-64.5-170.9-68.100106.7E3M1-E3 PolarHBondContact O-N 3.23Å
2S60.8Low83.6Confident89 Ų89107.6 Ų107.662%0.62254%0.543SS*.  trans-72.4110.7176.152.60000108.2L4S2-L4 PolarHBondContact O-N 3.05Å
3E69.7Low84.6Confident161 Ų16199.8 Ų99.875%0.75250%0.504SS*.  trans-58.5121.9170.2-171.1173.5-158.500108.5M1 R5M1-E3 PolarHBondContact O-N 3.23Å; E3-R5 PolarHBondContact O-N 3.07Å
4L73.8Confident85.5Confident108 Ų10894.4 Ų94.457%0.56548%0.482SS*.  trans-68.8101.4176.3-70.1166.1000107.3S2 V6 M101 T105S2-L4 PolarHBondContact O-N 3.05Å; L4-V6 PolarHBondContact O-N 3.16Å; L4-M101 HydrophobicContact CD2-CG 3.91Å; L4-M101 HydrophobicContact CD2-SD 3.82Å; L4-T105 HydrophobicContact CB-CG2 3.99Å; L4-T105 HydrophobicContact CD2-CG2 3.43Å; L4-T105 VanDerWaalsContact CD2-CG2 3.43Å; L4-T105 HydrophobicContact CG-CG2 4.16Å
5R84.7Confident86.2Confident154 Ų15493.7 Ų93.758%0.58148%0.48SS*.PPolyproline II helixtrans-77.5122.7175.4-61.7-169.7-169.7-176.32.1108.9E3 L40 T105E3-R5 PolarHBondContact O-N 3.07Å; R5-L40 HydrophobicContact CB-CD1 3.95Å; R5-L40 HydrophobicContact CB-CD2 3.97Å; R5-L40 HydrophobicContact CG-CD2 4.44Å; R5-T105 PolarHBondContact O-OG1 3.14Å
6V92.2Very high86.8Confident60 Ų6091.9 Ų91.936%0.36447%0.472SS..PPolyproline II helixtrans-102126.7173.6-178.70000106.8L4 N109L4-V6 PolarHBondContact O-N 3.16Å; V6-N109 HydrophobicContact CG1-CB 4.46Å
7A96.4Very high87.4Confident0 Ų086.5 Ų86.50%044%0.444CS..PPolyproline II helixtrans-76.3133.7173.900000110.4I35 L40 I42 S106 N109A7-I35 HydrophobicContact CB-CB 4.49Å; A7-I35 HydrophobicContact CB-CD1 3.79Å; A7-I35 HydrophobicContact CB-CG1 3.96Å; A7-I35 HydrophobicContact CB-CG2 3.76Å; A7-L40 CarbonylContact C-O 3.58Å; A7-L40 VanDerWaalsContact CA-O 3.24Å; A7-L40 WeakPolarHBondContact CA-O 3.36Å; A7-L40 HydrophobicContact CB-CD1 4.35Å; A7-I42 HydrophobicContact CB-CD1 4.44Å; A7-I42 HydrophobicContact CB-CG1 3.69Å; A7-S106 PolarHBondContact N-OG 3.14Å; A7-N109 PolarHBondContact O-ND2 3.44Å; A7-N109 VanDerWaalsContact O-ND2 3.09Å
8E96.2Very high87.9Confident118 Ų11888.8 Ų88.855%0.55145%0.45SS*.BIsolated β-bridgetrans-83.2156.7179-70.2-60.4156.900111.4L40 T41 I42E8-L40 PolarHBondContact N-O 2.96Å; E8-T41 CarbonylContact O-C 3.58Å; E8-T41 VanDerWaalsContact O-CA 3.26Å; E8-T41 WeakPolarHBondContact O-CA 3.43Å; E8-I42 PolarHBondContact O-N 3.34Å
9I97.7Very high88.3Confident14 Ų1491.5 Ų91.57%0.07246%0.458CS..  trans-113.8114.2174.2-67.1170.5000107.1T13 A14 L17 I42 L110 K113I9-T13 HydrophobicContact CG2-CG2 3.92Å; I9-A14 HydrophobicContact CG2-CB 4.03Å; I9-L17 HydrophobicContact CD1-CD1 4.29Å; I9-L17 HydrophobicContact CG2-CD1 4.22Å; I9-I42 HydrophobicContact CD1-CD1 4.05Å; I9-I42 HydrophobicContact CG1-CB 3.97Å; I9-I42 HydrophobicContact CG1-CD1 3.96Å; I9-I42 HydrophobicContact CG1-CG1 4.2Å; I9-L110 HydrophobicContact CD1-CB 4.24Å; I9-L110 HydrophobicContact CD1-CD1 4.02Å; I9-K113 HydrophobicContact CB-CG 4.3Å; I9-K113 HydrophobicContact CD1-CB 3.66Å; I9-K113 HydrophobicContact CD1-CG 3.69Å; I9-K113 HydrophobicContact CG2-CB 4.48Å; I9-K113 HydrophobicContact CG2-CG 4.43Å
10S95.6Very high88.7Confident51 Ų5187.5 Ų87.536%0.35744%0.438SS..  trans-61.5157.7174.6650000111.4D12 T13 A14S10-D12 VanDerWaalsContact C-N 3.29Å; S10-D12 PolarHBondContact O-N 2.88Å; S10-T13 PolarHBondContact O-N 2.93Å; S10-T13 VanDerWaalsContact O-N 3.14Å; S10-T13 WeakPolarHBondContact OG-CB 3.42Å; S10-T13 PolarHBondContact OG-N 3.38Å; S10-T13 PolarHBondContact OG-OG1 3.3Å; S10-A14 PolarHBondContact O-N 2.94Å
11E95.6Very high89.1Confident172 Ų17287.4 Ų87.480%0.80444%0.435SS*.Hα-helixtrans-57.9-43.3176.1-67-174.1169.300111.6T13 A14 D15E11-T13 VanDerWaalsContact C-N 3.31Å; E11-T13 PolarHBondContact O-N 2.99Å; E11-A14 WeakPolarHBondContact O-CB 3.26Å; E11-A14 PolarHBondContact O-N 2.92Å; E11-A14 VanDerWaalsContact O-N 3.14Å; E11-D15 PolarHBondContact O-N 2.93Å
12D95.5Very high91.4Very high123 Ų12382.8 Ų82.866%0.65841%0.408SS*.Hα-helixtrans-58.3-42.3175.3-69.4-26.5000112.3S10 D15 N16S10-D12 VanDerWaalsContact C-N 3.29Å; S10-D12 PolarHBondContact O-N 2.88Å; D12-D15 PolarHBondContact O-N 3.4Å; D12-N16 VanDerWaalsContact O-CG 3.28Å; D12-N16 PolarHBondContact O-N 3Å; D12-N16 PolarHBondContact O-ND2 3.24Å
13T97.2Very high92.9Very high7 Ų783 Ų834%0.04340%0.395CS..Hα-helixtrans-67.9-43.8176.4-60.70000110.5I9 S10 E11 D15 N16 L17 L33 I42 P44I9-T13 HydrophobicContact CG2-CG2 3.92Å; S10-T13 PolarHBondContact O-N 2.93Å; S10-T13 VanDerWaalsContact O-N 3.14Å; S10-T13 WeakPolarHBondContact OG-CB 3.42Å; S10-T13 PolarHBondContact OG-N 3.38Å; S10-T13 PolarHBondContact OG-OG1 3.3Å; E11-T13 VanDerWaalsContact C-N 3.31Å; E11-T13 PolarHBondContact O-N 2.99Å; T13-D15 VanDerWaalsContact C-N 3.26Å; T13-D15 PolarHBondContact O-N 3.02Å; T13-N16 WeakPolarHBondContact O-CA 3.2Å; T13-N16 WeakPolarHBondContact O-CB 3.31Å; T13-N16 PolarHBondContact O-N 2.72Å; T13-L17 HydrophobicContact CG2-CG 4.36Å; T13-L17 VanDerWaalsContact O-CG 3.3Å; T13-L17 WeakPolarHBondContact O-CG 3.32Å; T13-L17 PolarHBondContact O-N 3.18Å; T13-L33 HydrophobicContact CG2-CD2 4.4Å; T13-I42 WeakPolarHBondContact CG2-O 3.44Å; T13-P44 HydrophobicContact CG2-CG 4.39Å
14A96.9Very high93.9Very high23 Ų2385 Ų8519%0.1940%0.402CS..Hα-helixtrans-57.9-39.8176.500000112.1I9 S10 E11 L17 K18I9-A14 HydrophobicContact CG2-CB 4.03Å; S10-A14 PolarHBondContact O-N 2.94Å; E11-A14 WeakPolarHBondContact O-CB 3.26Å; E11-A14 PolarHBondContact O-N 2.92Å; E11-A14 VanDerWaalsContact O-N 3.14Å; A14-L17 PolarHBondContact O-N 2.89Å; A14-K18 PolarHBondContact O-N 2.87Å
15D95.8Very high94.7Very high84 Ų8481 Ų8145%0.44938%0.383SS..Hα-helixtrans-65-39.8173.8-85.5-8.3000112.3E11 D12 T13 K18 K19E11-D15 PolarHBondContact O-N 2.93Å; D12-D15 PolarHBondContact O-N 3.4Å; T13-D15 VanDerWaalsContact C-N 3.26Å; T13-D15 PolarHBondContact O-N 3.02Å; D15-K18 PolarHBondContact O-N 2.81Å; D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.25Å; D15-K19 WeakPolarHBondContact O-CG 3.42Å; D15-K19 PolarHBondContact O-N 3.23Å
16N95.5Very high95.1Very high66 Ų6680.6 Ų80.635%0.35339%0.388SS..Hα-helixtrans-63.7-41.3173.6-71.1-27.3000112.1D12 T13 K18 K19 F20D12-N16 VanDerWaalsContact O-CG 3.28Å; D12-N16 PolarHBondContact O-N 3Å; D12-N16 PolarHBondContact O-ND2 3.24Å; T13-N16 WeakPolarHBondContact O-CA 3.2Å; T13-N16 WeakPolarHBondContact O-CB 3.31Å; T13-N16 PolarHBondContact O-N 2.72Å; N16-K18 VanDerWaalsContact C-N 3.33Å; N16-K18 PolarHBondContact O-N 3.2Å; N16-K19 PolarHBondContact O-N 3.36Å; N16-F20 WeakPolarHBondContact O-CB 3.35Å; N16-F20 PolarHBondContact O-N 3.06Å
17L97.9Very high95.3Very high0 Ų080.4 Ų80.40%039%0.385CS..Hα-helixtrans-61.3-43.3174.5-59.8176000111.1I9 T13 A14 F20 K21 L31 L33 L69 L110 K113I9-L17 HydrophobicContact CD1-CD1 4.29Å; I9-L17 HydrophobicContact CG2-CD1 4.22Å; T13-L17 HydrophobicContact CG2-CG 4.36Å; T13-L17 VanDerWaalsContact O-CG 3.3Å; T13-L17 WeakPolarHBondContact O-CG 3.32Å; T13-L17 PolarHBondContact O-N 3.18Å; A14-L17 PolarHBondContact O-N 2.89Å; L17-F20 PolarHBondContact O-N 3.39Å; L17-K21 WeakPolarHBondContact O-CB 3.47Å; L17-K21 PolarHBondContact O-N 3.01Å; L17-L31 HydrophobicContact CD2-CD2 4.09Å; L17-L33 HydrophobicContact CD2-CD1 3.92Å; L17-L33 HydrophobicContact CD2-CD2 3.86Å; L17-L69 HydrophobicContact CD2-CD1 3.49Å; L17-L69 VanDerWaalsContact CD2-CD1 3.49Å; L17-L110 HydrophobicContact CD1-CD1 3.79Å; L17-L110 HydrophobicContact CD2-CD1 4.11Å; L17-K113 HydrophobicContact CD1-CB 4.08Å
18K95.8Very high95.3Very high128 Ų12881 Ų8156%0.55739%0.389SS*.Hα-helixtrans-64-46.5177.1-173.9177.8173.7-1790111.6A14 D15 N16 F20 K21 F22A14-K18 PolarHBondContact O-N 2.87Å; D15-K18 PolarHBondContact O-N 2.81Å; N16-K18 VanDerWaalsContact C-N 3.33Å; N16-K18 PolarHBondContact O-N 3.2Å; K18-F20 VanDerWaalsContact C-N 3.3Å; K18-F20 PolarHBondContact O-N 3.2Å; K18-K21 PolarHBondContact O-N 2.89Å; K18-F22 HydrophobicContact CG-CD2 3.9Å; K18-F22 HydrophobicContact CG-CE2 3.83Å; K18-F22 WeakPolarHBondContact O-CD2 3.48Å; K18-F22 PolarHBondContact O-N 3.45Å
19K95.5Very high95.4Very high139 Ų13975.5 Ų75.560%0.60436%0.363SS*.Hα-helixtrans-59-42.9175.4-73.6168.2-172.4167.20111.2D15 N16 F22 R23D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.25Å; D15-K19 WeakPolarHBondContact O-CG 3.42Å; D15-K19 PolarHBondContact O-N 3.23Å; N16-K19 PolarHBondContact O-N 3.36Å; K19-F22 PolarHBondContact O-N 3.44Å; K19-R23 PolarHBondContact O-N 3.09Å
20F97Very high95.5Very high12 Ų1274.8 Ų74.85%0.05336%0.359CS..Hα-helixtrans-63.5-46.8177.5-174.6-93000111.9N16 L17 K18 F22 R23 V29 L31 L69 Y85N16-F20 WeakPolarHBondContact O-CB 3.35Å; N16-F20 PolarHBondContact O-N 3.06Å; L17-F20 PolarHBondContact O-N 3.39Å; K18-F20 VanDerWaalsContact C-N 3.3Å; K18-F20 PolarHBondContact O-N 3.2Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 3.31Å; F20-R23 WeakPolarHBondContact O-CB 3.28Å; F20-R23 PolarHBondContact O-N 3.45Å; F20-R23 VanDerWaalsContact O-N 3.12Å; F20-V29 HydrophobicContact CE2-CB 4.37Å; F20-V29 HydrophobicContact CE2-CG1 3.79Å; F20-V29 HydrophobicContact CZ-CG1 4.45Å; F20-L31 HydrophobicContact CB-CD2 4Å; F20-L31 HydrophobicContact CD1-CB 4.31Å; F20-L31 HydrophobicContact CD1-CD2 4.48Å; F20-L31 HydrophobicContact CD2-CB 3.57Å; F20-L31 HydrophobicContact CD2-CD2 4.16Å; F20-L31 HydrophobicContact CD2-CG 4.48Å; F20-L31 HydrophobicContact CE1-CB 4.24Å; F20-L31 HydrophobicContact CE2-CB 3.46Å; F20-L31 VanDerWaalsContact CE2-CB 3.46Å; F20-L31 HydrophobicContact CG-CB 4Å; F20-L31 HydrophobicContact CG-CD2 3.96Å; F20-L31 HydrophobicContact CZ-CB 3.82Å; F20-L69 HydrophobicContact CD1-CB 3.91Å; F20-L69 HydrophobicContact CD1-CD1 4.4Å; F20-L69 HydrophobicContact CE1-CB 3.58Å; F20-L69 WeakPolarHBondContact CE1-O 3.4Å; F20-L69 HydrophobicContact CZ-CB 4.34Å; F20-L69 VanDerWaalsContact CZ-O 3.25Å; F20-L69 WeakPolarHBondContact CZ-O 3.42Å; F20-Y85 AromaticContact CD1-CE2 3.75Å; F20-Y85 HydrophobicContact CD1-CE2 3.75Å; F20-Y85 HydrophobicContact CE1-CD2 4.33Å; F20-Y85 AromaticContact CE1-CE2 3.83Å; F20-Y85 HydrophobicContact CE1-CE2 3.83Å
21K95.8Very high95.6Very high85 Ų8572.5 Ų72.537%0.3734%0.343SS..Hα-helixtrans-56.6-40.9178.1-179.4176.9-178.7164.70113.2L17 K18 Y85 G115L17-K21 WeakPolarHBondContact O-CB 3.47Å; L17-K21 PolarHBondContact O-N 3.01Å; K18-K21 PolarHBondContact O-N 2.89Å; K21-Y85 HydrophobicContact CB-CE1 4.21Å; K21-Y85 HydrophobicContact CB-CE2 4.44Å; K21-Y85 HydrophobicContact CD-CD1 4.49Å; K21-Y85 HydrophobicContact CD-CE1 4.03Å; K21-Y85 HydrophobicContact CG-CD1 4.15Å; K21-Y85 HydrophobicContact CG-CE1 3.87Å; K21-G115 PolarHBondContact NZ-O 3.12Å
22F94.5Very high95.7Very high144 Ų14464.3 Ų64.363%0.63231%0.305SS*.THydrogen-bonded Turntrans-93.35.1-178.7-64.8-65.2000113.7K18 K19 F20 K24K18-F22 HydrophobicContact CG-CD2 3.9Å; K18-F22 HydrophobicContact CG-CE2 3.83Å; K18-F22 WeakPolarHBondContact O-CD2 3.48Å; K18-F22 PolarHBondContact O-N 3.45Å; K19-F22 PolarHBondContact O-N 3.44Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 3.31Å; F22-K24 PolarHBondContact O-N 3.2Å
23R92.5Very high95.9Very high93 Ų9358.5 Ų58.535%0.35127%0.273SS..  trans-62.1131.6177.3-172-179.6-125.1-122.55.3109.5K19 F20 E49K19-R23 PolarHBondContact O-N 3.09Å; F20-R23 WeakPolarHBondContact O-CB 3.28Å; F20-R23 PolarHBondContact O-N 3.45Å; F20-R23 VanDerWaalsContact O-N 3.12Å; R23-E49 IonicContact CZ-OE1 3.4Å; R23-E49 IonicContact CZ-OE2 3.6Å; R23-E49 IonicContact NH1-OE1 3.26Å; R23-E49 PolarHBondContact NH1-OE1 2.84Å; R23-E49 IonicContact NH1-OE2 2.81Å; R23-E49 PolarHBondContact NH1-OE2 2.92Å; R23-E49 VanDerWaalsContact NH2-CD 3.35Å; R23-E49 IonicContact NH2-OE1 2.7Å; R23-E49 PolarHBondContact NH2-OE1 3.47Å; R23-E49 IonicContact NH2-OE2 3.45Å; R23-E49 PolarHBondContact NH2-OE2 2.81Å
24K89.6Confident95.9Very high204 Ų20461.3 Ų61.389%0.88729%0.285SS*.  trans-93.9118.8169.9-62.2-176.7-178.1-179.60108.1F22F22-K24 PolarHBondContact O-N 3.2Å
25S90.3Very high96Very high25 Ų2560.6 Ų60.618%0.17528%0.278CS..  trans-133.3147.9175.7-178.60000108.9N27 V29 F83S25-N27 WeakPolarHBondContact CB-O 3.41Å; S25-N27 PolarHBondContact OG-N 2.82Å; S25-N27 PolarHBondContact OG-O 3.26Å; S25-V29 VanDerWaalsContact OG-CG2 3.29Å; S25-V29 WeakPolarHBondContact OG-CG2 3.39Å; S25-F83 WeakPolarHBondContact O-CE1 3.35Å; S25-F83 WeakPolarHBondContact O-CZ 3.24Å
26Q93.7Very high96Very high144 Ų14458.8 Ų58.867%0.67327%0.268SS*.SBendtrans-88.5-14.5169.1-61.7-55.5-52.600112.2R73 F83Q26-R73 WeakPolarHBondContact O-CD 3.35Å; Q26-R73 PolarHBondContact O-NE 3Å; Q26-F83 WeakPolarHBondContact O-CZ 3.27Å
27N96.3Very high95.8Very high57 Ų5761.4 Ų61.431%0.30528%0.277SS..SBendtrans-121.2166-175.2-58.4-31.9000111.3S25 V29 D50S25-N27 WeakPolarHBondContact CB-O 3.41Å; S25-N27 PolarHBondContact OG-N 2.82Å; S25-N27 PolarHBondContact OG-O 3.26Å; N27-V29 PolarHBondContact O-N 2.66Å; N27-D50 HydrophobicContact CB-CB 4.19Å; N27-D50 WeakPolarHBondContact CB-OD1 3.41Å; N27-D50 PolarHBondContact ND2-OD1 2.8Å; N27-D50 PolarHBondContact ND2-OD2 2.88Å
28T97.6Very high95.5Very high13 Ų1370.5 Ų70.58%0.0832%0.319CS..  trans-64.4132.3174.8-650000110.1D50 I51 L70 S71 Y72 R73T28-D50 PolarHBondContact O-N 3.15Å; T28-D50 VanDerWaalsContact O-N 3.16Å; T28-I51 VanDerWaalsContact CB-O 3.31Å; T28-I51 WeakPolarHBondContact CB-O 3.48Å; T28-I51 HydrophobicContact CG2-CG1 4.04Å; T28-I51 PolarHBondContact O-N 3.07Å; T28-L70 HydrophobicContact CG2-CD1 3.69Å; T28-L70 HydrophobicContact CG2-CG 4.43Å; T28-S71 VanDerWaalsContact CA-O 3.28Å; T28-S71 WeakPolarHBondContact CA-O 3.47Å; T28-Y72 HydrophobicContact CG2-CD2 4.13Å; T28-R73 WeakPolarHBondContact OG1-CB 3.41Å; T28-R73 PolarHBondContact OG1-N 3.26Å
29V98.1Very high95.4Very high1 Ų167.2 Ų67.21%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-130.4135.7177.2-170.70000108.7F20 S25 N27 I47 L48 E49 S71F20-V29 HydrophobicContact CE2-CB 4.37Å; F20-V29 HydrophobicContact CE2-CG1 3.79Å; F20-V29 HydrophobicContact CZ-CG1 4.45Å; S25-V29 VanDerWaalsContact OG-CG2 3.29Å; S25-V29 WeakPolarHBondContact OG-CG2 3.39Å; N27-V29 PolarHBondContact O-N 2.66Å; V29-I47 HydrophobicContact CG1-CG2 4.29Å; V29-L48 WeakPolarHBondContact CA-O 3.42Å; V29-L48 VanDerWaalsContact CG1-O 3.23Å; V29-L48 WeakPolarHBondContact CG1-O 3.48Å; V29-E49 HydrophobicContact CG1-CG 4.29Å; V29-S71 PolarHBondContact N-O 3.29Å; V29-S71 PolarHBondContact O-N 2.79Å
30A98.4Very high95.4Very high0 Ų062.8 Ų62.80%030%0.298CS..EExtended strand (participates in β ladder)trans-119.7141.4175.600000111.4I47 L48 I51 L56 I68 L69 L70A30-I47 WeakPolarHBondContact O-CA 3.47Å; A30-L48 HydrophobicContact CB-CB 4.33Å; A30-L48 PolarHBondContact N-O 2.94Å; A30-L48 PolarHBondContact O-N 2.86Å; A30-I51 HydrophobicContact CB-CD1 3.69Å; A30-L56 HydrophobicContact CB-CD1 3.85Å; A30-L56 HydrophobicContact CB-CD2 4.4Å; A30-I68 HydrophobicContact CB-CG2 3.87Å; A30-L69 CarbonylContact C-O 3.54Å; A30-L69 WeakPolarHBondContact CA-O 3.06Å; A30-L70 HydrophobicContact CB-CD1 3.77Å
31L98.4Very high95.4Very high3 Ų363.4 Ų63.42%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-115.9109.1166.7166.562.5000107.7L17 F20 L33 P44 I47 I68 L69L17-L31 HydrophobicContact CD2-CD2 4.09Å; F20-L31 HydrophobicContact CB-CD2 4Å; F20-L31 HydrophobicContact CD1-CB 4.31Å; F20-L31 HydrophobicContact CD1-CD2 4.48Å; F20-L31 HydrophobicContact CD2-CB 3.57Å; F20-L31 HydrophobicContact CD2-CD2 4.16Å; F20-L31 HydrophobicContact CD2-CG 4.48Å; F20-L31 HydrophobicContact CE1-CB 4.24Å; F20-L31 HydrophobicContact CE2-CB 3.46Å; F20-L31 VanDerWaalsContact CE2-CB 3.46Å; F20-L31 HydrophobicContact CG-CB 4Å; F20-L31 HydrophobicContact CG-CD2 3.96Å; F20-L31 HydrophobicContact CZ-CB 3.82Å; L31-L33 HydrophobicContact CD2-CD2 4.37Å; L31-L33 HydrophobicContact CG-CD1 4.34Å; L31-L33 HydrophobicContact CG-CD2 4.38Å; L31-L33 HydrophobicContact CG-CG 4.12Å; L31-P44 HydrophobicContact CD1-CB 3.94Å; L31-I47 HydrophobicContact CD1-CD1 4.4Å; L31-I47 HydrophobicContact CD1-CG1 3.68Å; L31-I68 WeakPolarHBondContact O-CA 3.24Å; L31-L69 HydrophobicContact CB-CB 4.31Å; L31-L69 HydrophobicContact CD2-CD1 4.29Å; L31-L69 PolarHBondContact N-O 3.42Å; L31-L69 PolarHBondContact O-N 2.86Å
32I98.5Very high95.6Very high0 Ų059.4 Ų59.40%029%0.286CS..EExtended strand (participates in β ladder)trans-85.8127.9176.1-56.5175000107.8E45 Q46 L48 L56 S59 L60 R66 Y67 I68I32-E45 HydrophobicContact CG2-CB 4.27Å; I32-E45 WeakPolarHBondContact CG2-OE2 3.1Å; I32-E45 PolarHBondContact O-N 3.01Å; I32-Q46 HydrophobicContact CB-CB 4.42Å; I32-Q46 HydrophobicContact CD1-CB 4.43Å; I32-Q46 PolarHBondContact N-O 3.01Å; I32-Q46 PolarHBondContact O-N 2.87Å; I32-L48 HydrophobicContact CD1-CD1 3.92Å; I32-L56 HydrophobicContact CD1-CD1 4.1Å; I32-L56 HydrophobicContact CG1-CD1 4.27Å; I32-S59 VanDerWaalsContact CD1-OG 3.31Å; I32-S59 WeakPolarHBondContact CD1-OG 3.13Å; I32-L60 HydrophobicContact CD1-CD2 3.98Å; I32-L60 HydrophobicContact CG1-CD2 4.36Å; I32-L60 HydrophobicContact CG2-CD2 4.2Å; I32-R66 HydrophobicContact CG2-CB 4.18Å; I32-R66 HydrophobicContact CG2-CG 4.06Å; I32-Y67 CarbonylContact C-O 3.49Å; I32-Y67 WeakPolarHBondContact CA-O 3.13Å; I32-I68 HydrophobicContact CG1-CG1 4.33Å; I32-I68 HydrophobicContact CG1-CG2 4.44Å
33L98.6Very high95.7Very high0 Ų055.5 Ų55.50%027%0.27CS..EExtended strand (participates in β ladder)trans-120.1145176.2-54.1131.7000109.9T13 L17 L31 I42 E43 P44 R66 Y67 L69 L110T13-L33 HydrophobicContact CG2-CD2 4.4Å; L17-L33 HydrophobicContact CD2-CD1 3.92Å; L17-L33 HydrophobicContact CD2-CD2 3.86Å; L31-L33 HydrophobicContact CD2-CD2 4.37Å; L31-L33 HydrophobicContact CG-CD1 4.34Å; L31-L33 HydrophobicContact CG-CD2 4.38Å; L31-L33 HydrophobicContact CG-CG 4.12Å; L33-I42 HydrophobicContact CB-CG2 3.94Å; L33-I42 HydrophobicContact CD2-CG2 4.2Å; L33-E43 VanDerWaalsContact CA-O 3.27Å; L33-E43 WeakPolarHBondContact CA-O 3.36Å; L33-P44 HydrophobicContact CD2-CG 4.26Å; L33-R66 WeakPolarHBondContact O-CD 3.49Å; L33-Y67 HydrophobicContact CB-CD2 4.43Å; L33-Y67 PolarHBondContact N-O 3.48Å; L33-Y67 PolarHBondContact O-N 3.18Å; L33-L69 HydrophobicContact CD1-CD1 4Å; L33-L69 HydrophobicContact CD1-CG 4.08Å; L33-L110 HydrophobicContact CD1-CD1 4.11Å; L33-L110 HydrophobicContact CD1-CD2 4.18Å
34K98Very high95.9Very high67 Ų6753.4 Ų53.429%0.29127%0.268SS..EExtended strand (participates in β ladder)trans-125.1167.917568.8175.7-178.4173.40110.4I42 E43 E45 Y103K34-I42 CarbonylContact O-C 3.53Å; K34-I42 WeakPolarHBondContact O-CA 3.43Å; K34-E43 PolarHBondContact N-O 2.87Å; K34-E43 PolarHBondContact O-N 3.06Å; K34-E45 HydrophobicContact CB-CB 4.46Å; K34-E45 HydrophobicContact CD-CB 4.23Å; K34-E45 HydrophobicContact CD-CG 4.21Å; K34-E45 WeakPolarHBondContact CD-OE1 3.25Å; K34-E45 HydrophobicContact CG-CB 4.16Å; K34-Y103 WeakPolarHBondContact CA-OH 3.21Å
35I97.7Very high96.3Very high8 Ų847.1 Ų47.14%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-97.6122.9165.5-61.6-179.7000108.3A7 K37 T41 I42 Y67 M102 Y103A7-I35 HydrophobicContact CB-CB 4.49Å; A7-I35 HydrophobicContact CB-CD1 3.79Å; A7-I35 HydrophobicContact CB-CG1 3.96Å; A7-I35 HydrophobicContact CB-CG2 3.76Å; I35-K37 PolarHBondContact O-N 3.14Å; I35-T41 CarbonylContact C-O 3.6Å; I35-T41 VanDerWaalsContact CA-O 3.28Å; I35-T41 WeakPolarHBondContact CA-O 3.15Å; I35-I42 HydrophobicContact CG1-CG1 4.15Å; I35-Y67 HydrophobicContact CD1-CE2 4.28Å; I35-Y67 HydrophobicContact CG1-CE2 4.17Å; I35-M102 HydrophobicContact CB-CE 3.75Å; I35-M102 HydrophobicContact CD1-CE 4.13Å; I35-M102 HydrophobicContact CD1-CG 3.98Å; I35-M102 HydrophobicContact CG2-CE 3.35Å; I35-M102 HydrophobicContact CG2-CG 4.44Å; I35-M102 HydrophobicContact CG2-SD 3.85Å; I35-Y103 HydrophobicContact CB-CD2 4.32Å; I35-Y103 HydrophobicContact CB-CE2 3.68Å; I35-Y103 HydrophobicContact CD1-CD1 4.31Å; I35-Y103 HydrophobicContact CD1-CD2 3.55Å; I35-Y103 HydrophobicContact CD1-CE2 3.83Å; I35-Y103 HydrophobicContact CD1-CG 3.83Å; I35-Y103 HydrophobicContact CG1-CD1 4.42Å; I35-Y103 HydrophobicContact CG1-CD2 3.99Å; I35-Y103 HydrophobicContact CG1-CE1 4.21Å; I35-Y103 HydrophobicContact CG1-CE2 3.73Å; I35-Y103 HydrophobicContact CG1-CG 4.35Å; I35-Y103 PolarHBondContact N-OH 2.84Å
36D95.7Very high96.7Very high46 Ų4650 Ų5025%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-71.4119.7160.6-169.8-54.8000108.4E38 A39 L40 T41D36-E38 WeakPolarHBondContact OD1-CA 3.5Å; D36-E38 WeakPolarHBondContact OD1-CB 3.32Å; D36-E38 PolarHBondContact OD1-N 3.36Å; D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 PolarHBondContact OD1-N 3.13Å; D36-L40 WeakPolarHBondContact O-CA 3.34Å; D36-L40 PolarHBondContact O-N 2.74Å; D36-T41 PolarHBondContact N-O 3.47Å; D36-T41 PolarHBondContact O-N 3.23Å
37K91.2Very high96.9Very high120 Ų12047.5 Ų47.552%0.52224%0.243SC..THydrogen-bonded Turntrans-75.9-27.1-174.7-63.5176.8-173177.90112.8I35 M102I35-K37 PolarHBondContact O-N 3.14Å; K37-M102 HydrophobicContact CG-CE 3.94Å
38E92Very high96.9Very high191 Ų19145.9 Ų45.989%0.89323%0.234SC*.THydrogen-bonded Turntrans-82.8-48.2-177.3-62.4-175.4-179.300109.5D36 L40D36-E38 WeakPolarHBondContact OD1-CA 3.5Å; D36-E38 WeakPolarHBondContact OD1-CB 3.32Å; D36-E38 PolarHBondContact OD1-N 3.36Å; E38-L40 VanDerWaalsContact C-N 3.33Å
39A95Very high96.9Very high59 Ų5950.5 Ų50.549%0.48826%0.255SS..THydrogen-bonded Turntrans-78.1-18.6176.600000113.3D36 T41D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 PolarHBondContact OD1-N 3.13Å; A39-T41 VanDerWaalsContact C-N 3.3Å; A39-T41 HydrophobicContact CB-CG2 4.21Å; A39-T41 WeakPolarHBondContact CB-OG1 3.2Å; A39-T41 PolarHBondContact O-N 3.47Å
40L95.1Very high96.8Very high46 Ų4655.8 Ų55.824%0.24128%0.283CS..THydrogen-bonded Turntrans54.646.8-173.3-166.861000111.6R5 A7 E8 D36 E38 M102R5-L40 HydrophobicContact CB-CD1 3.95Å; R5-L40 HydrophobicContact CB-CD2 3.97Å; R5-L40 HydrophobicContact CG-CD2 4.44Å; A7-L40 CarbonylContact C-O 3.58Å; A7-L40 VanDerWaalsContact CA-O 3.24Å; A7-L40 WeakPolarHBondContact CA-O 3.36Å; A7-L40 HydrophobicContact CB-CD1 4.35Å; E8-L40 PolarHBondContact N-O 2.96Å; D36-L40 WeakPolarHBondContact O-CA 3.34Å; D36-L40 PolarHBondContact O-N 2.74Å; E38-L40 VanDerWaalsContact C-N 3.33Å; L40-M102 HydrophobicContact CD1-CG 4.28Å; L40-M102 HydrophobicContact CD1-SD 3.71Å
41T97.2Very high96.8Very high26 Ų2656.8 Ų56.816%0.1629%0.288CS..EExtended strand (participates in β ladder)trans-123.3147.1-177.7450000110.8E8 I35 D36 A39 E43E8-T41 CarbonylContact O-C 3.58Å; E8-T41 VanDerWaalsContact O-CA 3.26Å; E8-T41 WeakPolarHBondContact O-CA 3.43Å; I35-T41 CarbonylContact C-O 3.6Å; I35-T41 VanDerWaalsContact CA-O 3.28Å; I35-T41 WeakPolarHBondContact CA-O 3.15Å; D36-T41 PolarHBondContact N-O 3.47Å; D36-T41 PolarHBondContact O-N 3.23Å; A39-T41 VanDerWaalsContact C-N 3.3Å; A39-T41 HydrophobicContact CB-CG2 4.21Å; A39-T41 WeakPolarHBondContact CB-OG1 3.2Å; A39-T41 PolarHBondContact O-N 3.47Å; T41-E43 PolarHBondContact OG1-OE1 2.85Å
42I98.4Very high96.7Very high0 Ų060 Ų600%031%0.308CS..EExtended strand (participates in β ladder)trans-86.9128166.7-54.4-178.4000107.8A7 E8 I9 T13 L33 K34 I35 Y67 L110A7-I42 HydrophobicContact CB-CD1 4.44Å; A7-I42 HydrophobicContact CB-CG1 3.69Å; E8-I42 PolarHBondContact O-N 3.34Å; I9-I42 HydrophobicContact CD1-CD1 4.05Å; I9-I42 HydrophobicContact CG1-CB 3.97Å; I9-I42 HydrophobicContact CG1-CD1 3.96Å; I9-I42 HydrophobicContact CG1-CG1 4.2Å; T13-I42 WeakPolarHBondContact CG2-O 3.44Å; L33-I42 HydrophobicContact CB-CG2 3.94Å; L33-I42 HydrophobicContact CD2-CG2 4.2Å; K34-I42 CarbonylContact O-C 3.53Å; K34-I42 WeakPolarHBondContact O-CA 3.43Å; I35-I42 HydrophobicContact CG1-CG1 4.15Å; I42-Y67 HydrophobicContact CD1-CE2 4.1Å; I42-Y67 HydrophobicContact CG2-CD2 4.38Å; I42-L110 HydrophobicContact CD1-CB 3.94Å; I42-L110 HydrophobicContact CG2-CD1 4.49Å
43E97.4Very high96.6Very high63 Ų6360 Ų6029%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-134.7145.6-173.7-61.1-176.5178.800111.7L33 K34 T41 E45L33-E43 VanDerWaalsContact CA-O 3.27Å; L33-E43 WeakPolarHBondContact CA-O 3.36Å; K34-E43 PolarHBondContact N-O 2.87Å; K34-E43 PolarHBondContact O-N 3.06Å; T41-E43 PolarHBondContact OG1-OE1 2.85Å; E43-E45 PolarHBondContact O-N 2.93Å
44P97.6Very high96.5Very high48 Ų4866.7 Ų66.731%0.31234%0.337SS..EExtended strand (participates in β ladder)trans-58.8121.1167.8-23.336000110.4T13 L31 L33T13-P44 HydrophobicContact CG2-CG 4.39Å; L31-P44 HydrophobicContact CD1-CB 3.94Å; L33-P44 HydrophobicContact CD2-CG 4.26Å
45E97.8Very high96.4Very high72 Ų7267.1 Ų67.134%0.33634%0.343SS..EExtended strand (participates in β ladder)trans-90.9-46.6172.2-176.1174-114.400110.6I32 K34 E43 R66I32-E45 HydrophobicContact CG2-CB 4.27Å; I32-E45 WeakPolarHBondContact CG2-OE2 3.1Å; I32-E45 PolarHBondContact O-N 3.01Å; K34-E45 HydrophobicContact CB-CB 4.46Å; K34-E45 HydrophobicContact CD-CB 4.23Å; K34-E45 HydrophobicContact CD-CG 4.21Å; K34-E45 WeakPolarHBondContact CD-OE1 3.25Å; K34-E45 HydrophobicContact CG-CB 4.16Å; E43-E45 PolarHBondContact O-N 2.93Å; E45-R66 VanDerWaalsContact CD-NE 3.33Å; E45-R66 IonicContact OE1-CZ 3.63Å; E45-R66 IonicContact OE1-NE 2.73Å; E45-R66 PolarHBondContact OE1-NE 2.82Å; E45-R66 IonicContact OE1-NH2 2.72Å; E45-R66 PolarHBondContact OE1-NH2 2.73Å; E45-R66 WeakPolarHBondContact OE2-CD 3.32Å; E45-R66 IonicContact OE2-CZ 2.78Å; E45-R66 IonicContact OE2-NE 2.63Å; E45-R66 PolarHBondContact OE2-NE 3.17Å; E45-R66 IonicContact OE2-NH2 3.95Å
46Q97.6Very high96.5Very high87 Ų8766.8 Ų66.841%0.40734%0.341SS..EExtended strand (participates in β ladder)trans-156.5142.6-175.6-168.5173.62100111.4I32 L48I32-Q46 HydrophobicContact CB-CB 4.42Å; I32-Q46 HydrophobicContact CD1-CB 4.43Å; I32-Q46 PolarHBondContact N-O 3.01Å; I32-Q46 PolarHBondContact O-N 2.87Å; Q46-L48 HydrophobicContact CG-CD2 3.93Å; Q46-L48 HydrophobicContact CG-CG 4.2Å
47I97.4Very high96.5Very high90 Ų9066.3 Ų66.346%0.46234%0.337SS..EExtended strand (participates in β ladder)trans-106.8130.3164.5-63.1172.3000107.6V29 A30 L31 E49V29-I47 HydrophobicContact CG1-CG2 4.29Å; A30-I47 WeakPolarHBondContact O-CA 3.47Å; L31-I47 HydrophobicContact CD1-CD1 4.4Å; L31-I47 HydrophobicContact CD1-CG1 3.68Å; I47-E49 HydrophobicContact CG2-CG 4.01Å
48L97.9Very high96.7Very high24 Ų2465.2 Ų65.213%0.12634%0.337CS..EExtended strand (participates in β ladder)trans-117.3122177.8-66.6179.9000108.7V29 A30 I32 Q46 I51 L56 S59V29-L48 WeakPolarHBondContact CA-O 3.42Å; V29-L48 VanDerWaalsContact CG1-O 3.23Å; V29-L48 WeakPolarHBondContact CG1-O 3.48Å; A30-L48 HydrophobicContact CB-CB 4.33Å; A30-L48 PolarHBondContact N-O 2.94Å; A30-L48 PolarHBondContact O-N 2.86Å; I32-L48 HydrophobicContact CD1-CD1 3.92Å; Q46-L48 HydrophobicContact CG-CD2 3.93Å; Q46-L48 HydrophobicContact CG-CG 4.2Å; L48-I51 HydrophobicContact CB-CD1 3.69Å; L48-I51 HydrophobicContact CB-CG1 4.45Å; L48-I51 HydrophobicContact CB-CG2 3.78Å; L48-I51 HydrophobicContact CD1-CD1 3.98Å; L48-L56 HydrophobicContact CD1-CD1 4Å; L48-S59 WeakPolarHBondContact CD1-OG 3.33Å
49E96.3Very high96.9Very high110 Ų11057.9 Ų57.951%0.51431%0.306SS..EExtended strand (participates in β ladder)trans-113.3142.7-177.2-51.1-163.5-167.600110.4R23 V29 I47 I51R23-E49 IonicContact CZ-OE1 3.4Å; R23-E49 IonicContact CZ-OE2 3.6Å; R23-E49 IonicContact NH1-OE1 3.26Å; R23-E49 PolarHBondContact NH1-OE1 2.84Å; R23-E49 IonicContact NH1-OE2 2.81Å; R23-E49 PolarHBondContact NH1-OE2 2.92Å; R23-E49 VanDerWaalsContact NH2-CD 3.35Å; R23-E49 IonicContact NH2-OE1 2.7Å; R23-E49 PolarHBondContact NH2-OE1 3.47Å; R23-E49 IonicContact NH2-OE2 3.45Å; R23-E49 PolarHBondContact NH2-OE2 2.81Å; V29-E49 HydrophobicContact CG1-CG 4.29Å; I47-E49 HydrophobicContact CG2-CG 4.01Å; E49-I51 PolarHBondContact O-N 2.84Å
50D96.7Very high97Very high111 Ų11155.3 Ų55.359%0.59428%0.284SS*.SBendtrans5651.1177.6-162.821.4000113.5N27 T28N27-D50 HydrophobicContact CB-CB 4.19Å; N27-D50 WeakPolarHBondContact CB-OD1 3.41Å; N27-D50 PolarHBondContact ND2-OD1 2.8Å; N27-D50 PolarHBondContact ND2-OD2 2.88Å; T28-D50 PolarHBondContact O-N 3.15Å; T28-D50 VanDerWaalsContact O-N 3.16Å
51I97.5Very high97Very high21 Ų2154.3 Ų54.311%0.10828%0.281CS..  trans-108.9156.5-174.864.1170.1000113T28 A30 L48 E49 N55 L56T28-I51 VanDerWaalsContact CB-O 3.31Å; T28-I51 WeakPolarHBondContact CB-O 3.48Å; T28-I51 HydrophobicContact CG2-CG1 4.04Å; T28-I51 PolarHBondContact O-N 3.07Å; A30-I51 HydrophobicContact CB-CD1 3.69Å; L48-I51 HydrophobicContact CB-CD1 3.69Å; L48-I51 HydrophobicContact CB-CG1 4.45Å; L48-I51 HydrophobicContact CB-CG2 3.78Å; L48-I51 HydrophobicContact CD1-CD1 3.98Å; E49-I51 PolarHBondContact O-N 2.84Å; I51-N55 HydrophobicContact CB-CB 4.06Å; I51-N55 HydrophobicContact CG2-CB 4.26Å; I51-L56 HydrophobicContact CD1-CB 3.84Å; I51-L56 HydrophobicContact CD1-CD1 4.37Å
52T97Very high96.7Very high70 Ų7059.2 Ų59.243%0.42930%0.297SS..  trans-89.3165.1158.665.50000110.6K54 N55 L56T52-K54 PolarHBondContact O-N 3.16Å; T52-K54 PolarHBondContact OG1-N 3.43Å; T52-N55 PolarHBondContact N-OD1 2.83Å; T52-N55 PolarHBondContact O-N 3.44Å; T52-N55 VanDerWaalsContact O-N 3.14Å; T52-N55 VanDerWaalsContact OG1-CG 3.29Å; T52-N55 PolarHBondContact OG1-N 2.51Å; T52-N55 PolarHBondContact OG1-OD1 3.09Å; T52-L56 PolarHBondContact O-N 3.22Å
53L97.3Very high96.4Very high2 Ų264.6 Ų64.61%0.0132%0.322CS..Hα-helixtrans-63.7-25.3172.3-65.2-177.4000112.6L56 K57 L70 Y72 L128 S129 L133L53-L56 HydrophobicContact CD2-CD2 4.16Å; L53-L56 WeakPolarHBondContact O-CB 3.27Å; L53-L56 PolarHBondContact O-N 3.14Å; L53-K57 WeakPolarHBondContact O-CB 3.28Å; L53-K57 PolarHBondContact O-N 3.43Å; L53-L70 HydrophobicContact CD2-CD2 3.91Å; L53-Y72 HydrophobicContact CD1-CE2 4.03Å; L53-Y72 HydrophobicContact CD2-CD2 4.33Å; L53-Y72 HydrophobicContact CD2-CE2 4.42Å; L53-Y72 HydrophobicContact CG-CE2 4.14Å; L53-L128 HydrophobicContact CB-CG 4.4Å; L53-L128 HydrophobicContact CD2-CD1 4.38Å; L53-S129 VanDerWaalsContact CD1-C 3.41Å; L53-S129 VanDerWaalsContact CD1-O 3.27Å; L53-S129 WeakPolarHBondContact CD1-O 3.3Å; L53-L133 HydrophobicContact CD1-CB 4.03Å; L53-L133 HydrophobicContact CD1-CD2 3.92Å; L53-L133 HydrophobicContact CD2-CD2 4.23Å
54K96.4Very high96.3Very high140 Ų14064.6 Ų64.661%0.60932%0.322SS*.Hα-helixtrans-64-48.1170.4-177.6-178.5176.9-175.50111.7T52 L56 K57 D58T52-K54 PolarHBondContact O-N 3.16Å; T52-K54 PolarHBondContact OG1-N 3.43Å; K54-L56 PolarHBondContact O-N 3.2Å; K54-K57 WeakPolarHBondContact O-CB 3.35Å; K54-K57 PolarHBondContact O-N 3.37Å; K54-K57 VanDerWaalsContact O-N 3.15Å; K54-D58 VanDerWaalsContact O-CG 3.27Å; K54-D58 PolarHBondContact O-N 3.34Å
55N96.1Very high96.3Very high76 Ų7662.3 Ų62.341%0.40631%0.307SS..Hα-helixtrans-61.9-37.1176.7-55122.2000111.4I51 T52 D58 S59I51-N55 HydrophobicContact CB-CB 4.06Å; I51-N55 HydrophobicContact CG2-CB 4.26Å; T52-N55 PolarHBondContact N-OD1 2.83Å; T52-N55 PolarHBondContact O-N 3.44Å; T52-N55 VanDerWaalsContact O-N 3.14Å; T52-N55 VanDerWaalsContact OG1-CG 3.29Å; T52-N55 PolarHBondContact OG1-N 2.51Å; T52-N55 PolarHBondContact OG1-OD1 3.09Å; N55-D58 PolarHBondContact O-N 3.36Å; N55-S59 PolarHBondContact O-N 3.1Å
56L97.9Very high96.3Very high0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-61.9-48.6173.1178.957.8000111.2A30 I32 L48 I51 T52 L53 K54 D58 S59 L60 I68 L70 L88 L128A30-L56 HydrophobicContact CB-CD1 3.85Å; A30-L56 HydrophobicContact CB-CD2 4.4Å; I32-L56 HydrophobicContact CD1-CD1 4.1Å; I32-L56 HydrophobicContact CG1-CD1 4.27Å; L48-L56 HydrophobicContact CD1-CD1 4Å; I51-L56 HydrophobicContact CD1-CB 3.84Å; I51-L56 HydrophobicContact CD1-CD1 4.37Å; T52-L56 PolarHBondContact O-N 3.22Å; L53-L56 HydrophobicContact CD2-CD2 4.16Å; L53-L56 WeakPolarHBondContact O-CB 3.27Å; L53-L56 PolarHBondContact O-N 3.14Å; K54-L56 PolarHBondContact O-N 3.2Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 PolarHBondContact O-N 3.27Å; L56-S59 PolarHBondContact O-N 3.49Å; L56-S59 VanDerWaalsContact O-N 3.1Å; L56-S59 PolarHBondContact O-OG 3.36Å; L56-L60 HydrophobicContact CD1-CD1 4.42Å; L56-L60 HydrophobicContact CD1-CG 4.49Å; L56-L60 HydrophobicContact CG-CD1 4.3Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.07Å; L56-I68 HydrophobicContact CD1-CG2 3.91Å; L56-I68 HydrophobicContact CD2-CG2 3.99Å; L56-L70 HydrophobicContact CD2-CD1 4.1Å; L56-L88 HydrophobicContact CD2-CD1 4.28Å; L56-L128 HydrophobicContact CB-CD2 4.4Å; L56-L128 HydrophobicContact CD2-CD2 4.04Å; L56-L128 HydrophobicContact CG-CD2 4Å
57K96.5Very high96.4Very high37 Ų3755.6 Ų55.616%0.16128%0.275CS..Hα-helixtrans-53.7-48.6176.8-174178.369.8170.60111.5L53 K54 S59 L60 L125 E126 L128L53-K57 WeakPolarHBondContact O-CB 3.28Å; L53-K57 PolarHBondContact O-N 3.43Å; K54-K57 WeakPolarHBondContact O-CB 3.35Å; K54-K57 PolarHBondContact O-N 3.37Å; K54-K57 VanDerWaalsContact O-N 3.15Å; K57-S59 PolarHBondContact O-N 3.15Å; K57-L60 PolarHBondContact O-N 2.99Å; K57-L125 WeakPolarHBondContact CD-O 3.41Å; K57-L125 HydrophobicContact CG-CB 4.31Å; K57-E126 IonicContact NZ-OE1 3.23Å; K57-E126 IonicContact NZ-OE2 3.38Å; K57-E126 PolarHBondContact NZ-OE2 3.32Å; K57-L128 HydrophobicContact CB-CD2 4.1Å
58D95.9Very high96.4Very high97 Ų9751.3 Ų51.352%0.51925%0.253SS..Hα-helixtrans-64.6-21.2-177.7-63-20.2000113.1K54 N55 L56K54-D58 VanDerWaalsContact O-CG 3.27Å; K54-D58 PolarHBondContact O-N 3.34Å; N55-D58 PolarHBondContact O-N 3.36Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 PolarHBondContact O-N 3.27Å
59S96.1Very high96.5Very high36 Ų3650.2 Ų50.225%0.25225%0.247SC..Hα-helixtrans-84.4-13.7176.475.80000114.3I32 L48 N55 L56 K57I32-S59 VanDerWaalsContact CD1-OG 3.31Å; I32-S59 WeakPolarHBondContact CD1-OG 3.13Å; L48-S59 WeakPolarHBondContact CD1-OG 3.33Å; N55-S59 PolarHBondContact O-N 3.1Å; L56-S59 PolarHBondContact O-N 3.49Å; L56-S59 VanDerWaalsContact O-N 3.1Å; L56-S59 PolarHBondContact O-OG 3.36Å; K57-S59 PolarHBondContact O-N 3.15Å
60L96.8Very high96.6Very high5 Ų545 Ų453%0.02622%0.223CC..SBendtrans-94.1141.5-171.6-69.3171.4000112.2I32 L56 K57 R66 I68 L125 L128I32-L60 HydrophobicContact CD1-CD2 3.98Å; I32-L60 HydrophobicContact CG1-CD2 4.36Å; I32-L60 HydrophobicContact CG2-CD2 4.2Å; L56-L60 HydrophobicContact CD1-CD1 4.42Å; L56-L60 HydrophobicContact CD1-CG 4.49Å; L56-L60 HydrophobicContact CG-CD1 4.3Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.07Å; K57-L60 PolarHBondContact O-N 2.99Å; L60-R66 HydrophobicContact CD2-CB 3.93Å; L60-R66 HydrophobicContact CD2-CG 4.03Å; L60-I68 HydrophobicContact CD1-CD1 4.05Å; L60-I68 HydrophobicContact CD1-CG1 4.27Å; L60-I68 HydrophobicContact CD2-CD1 3.91Å; L60-I68 HydrophobicContact CD2-CG1 3.83Å; L60-L125 HydrophobicContact CB-CD1 4.09Å; L60-L125 HydrophobicContact CB-CD2 4.09Å; L60-L125 HydrophobicContact CD1-CD2 3.9Å; L60-L128 HydrophobicContact CD1-CD2 4.22Å
61P95Very high96.6Very high26 Ų2640.4 Ų40.417%0.16920%0.2CC..  trans-74.5131.7176.628.5-32.6000112.1H63 Q64 R66P61-H63 PolarHBondContact O-N 3.39Å; P61-Q64 HydrophobicContact CB-CB 4.2Å; P61-Q64 HydrophobicContact CG-CB 4Å; P61-R66 HydrophobicContact CG-CG 3.92Å
62Y91.8Very high96.6Very high128 Ų12840.2 Ų40.250%0.50220%0.198SC..THydrogen-bonded Turntrans-69.6-9.6179.1-72-85.8000115.9P92 L125Y62-P92 WeakPolarHBondContact O-CB 3.47Å; Y62-L125 HydrophobicContact CD1-CD1 3.81Å; Y62-L125 HydrophobicContact CE1-CB 4.38Å; Y62-L125 HydrophobicContact CE1-CD1 4.11Å; Y62-L125 HydrophobicContact CG-CD1 4.12Å
63H92Very high96.6Very high113 Ų11341 Ų4152%0.52319%0.193SC..THydrogen-bonded Turntrans-135.510.9-171.354.8-81.9000112.8P61 S95P61-H63 PolarHBondContact O-N 3.39Å; H63-S95 VanDerWaalsContact O-CA 3.31Å; H63-S95 WeakPolarHBondContact O-CA 3.42Å
64Q95.1Very high96.4Very high64 Ų6442 Ų4230%0.29920%0.196SC..SBendtrans-138.8142.8176.8-59.1-175.53400110.1P61 P92 L99P61-Q64 HydrophobicContact CB-CB 4.2Å; P61-Q64 HydrophobicContact CG-CB 4Å; Q64-P92 WeakPolarHBondContact O-CG 3.31Å; Q64-L99 HydrophobicContact CB-CD2 4.41Å; Q64-L99 HydrophobicContact CG-CD2 4.4Å
65P97.4Very high96.3Very high0 Ų040.6 Ų40.60%019%0.192CC..  trans-73.2153.1178.731.2-32.6000111.3F89 S90 L99 Y103P65-F89 HydrophobicContact CB-CE2 4.27Å; P65-S90 CarbonylContact C-O 3.6Å; P65-S90 WeakPolarHBondContact CA-O 3.21Å; P65-S90 WeakPolarHBondContact CB-O 3.18Å; P65-L99 HydrophobicContact CG-CD2 4.2Å; P65-L99 HydrophobicContact CG-CG 3.76Å; P65-Y103 HydrophobicContact CB-CD1 3.79Å; P65-Y103 HydrophobicContact CB-CD2 4.26Å; P65-Y103 HydrophobicContact CB-CE1 4.09Å; P65-Y103 HydrophobicContact CB-CG 3.86Å; P65-Y103 HydrophobicContact CG-CD1 3.88Å; P65-Y103 HydrophobicContact CG-CD2 3.46Å; P65-Y103 VanDerWaalsContact CG-CD2 3.46Å; P65-Y103 HydrophobicContact CG-CE1 4.03Å; P65-Y103 HydrophobicContact CG-CE2 3.64Å; P65-Y103 HydrophobicContact CG-CG 3.57Å; P65-Y103 VanDerWaalsContact O-CE1 3.27Å; P65-Y103 WeakPolarHBondContact O-CE1 3.06Å; P65-Y103 VanDerWaalsContact O-CZ 3.29Å; P65-Y103 PolarHBondContact O-OH 2.62Å; P65-Y103 VanDerWaalsContact O-OH 3.13Å
66R98.2Very high96Very high18 Ų1840.2 Ų40.27%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-142.6149.6173.9-70.9-60.5-177.6-87.36.3110I32 L33 E45 L60 P61 I68 S90I32-R66 HydrophobicContact CG2-CB 4.18Å; I32-R66 HydrophobicContact CG2-CG 4.06Å; L33-R66 WeakPolarHBondContact O-CD 3.49Å; E45-R66 VanDerWaalsContact CD-NE 3.33Å; E45-R66 IonicContact OE1-CZ 3.63Å; E45-R66 IonicContact OE1-NE 2.73Å; E45-R66 PolarHBondContact OE1-NE 2.82Å; E45-R66 IonicContact OE1-NH2 2.72Å; E45-R66 PolarHBondContact OE1-NH2 2.73Å; E45-R66 WeakPolarHBondContact OE2-CD 3.32Å; E45-R66 IonicContact OE2-CZ 2.78Å; E45-R66 IonicContact OE2-NE 2.63Å; E45-R66 PolarHBondContact OE2-NE 3.17Å; E45-R66 IonicContact OE2-NH2 3.95Å; L60-R66 HydrophobicContact CD2-CB 3.93Å; L60-R66 HydrophobicContact CD2-CG 4.03Å; P61-R66 HydrophobicContact CG-CG 3.92Å; R66-I68 HydrophobicContact CB-CD1 3.98Å; R66-S90 PolarHBondContact N-O 3.16Å; R66-S90 VanDerWaalsContact N-O 3.09Å; R66-S90 PolarHBondContact O-N 2.95Å
67Y98.6Very high95.5Very high0 Ų048.4 Ų48.40%023%0.225CC..EExtended strand (participates in β ladder)trans-98.4134.9163.7-55.4-66000108I32 L33 I35 I42 F89 Y103 S106 L107 L110I32-Y67 CarbonylContact C-O 3.49Å; I32-Y67 WeakPolarHBondContact CA-O 3.13Å; L33-Y67 HydrophobicContact CB-CD2 4.43Å; L33-Y67 PolarHBondContact N-O 3.48Å; L33-Y67 PolarHBondContact O-N 3.18Å; I35-Y67 HydrophobicContact CD1-CE2 4.28Å; I35-Y67 HydrophobicContact CG1-CE2 4.17Å; I42-Y67 HydrophobicContact CD1-CE2 4.1Å; I42-Y67 HydrophobicContact CG2-CD2 4.38Å; Y67-F89 AromaticContact CD1-CD2 3.7Å; Y67-F89 HydrophobicContact CD1-CD2 3.7Å; Y67-F89 HydrophobicContact CD1-CE2 4.18Å; Y67-F89 HydrophobicContact CD1-CG 4.32Å; Y67-F89 AromaticContact CE1-CD2 3.73Å; Y67-F89 HydrophobicContact CE1-CD2 3.73Å; Y67-F89 AromaticContact CE1-CE2 3.79Å; Y67-F89 HydrophobicContact CE1-CE2 3.79Å; Y67-F89 HydrophobicContact CE1-CG 4.35Å; Y67-F89 HydrophobicContact CE1-CZ 4.41Å; Y67-Y103 HydrophobicContact CD1-CD1 4.4Å; Y67-Y103 AromaticContact CD2-CD1 3.94Å; Y67-Y103 HydrophobicContact CD2-CD1 3.94Å; Y67-Y103 AromaticContact CD2-CE1 3.98Å; Y67-Y103 HydrophobicContact CD2-CE1 3.98Å; Y67-Y103 AromaticContact CE1-CD1 3.97Å; Y67-Y103 HydrophobicContact CE1-CD1 3.97Å; Y67-Y103 AromaticContact CE2-CD1 3.48Å; Y67-Y103 HydrophobicContact CE2-CD1 3.48Å; Y67-Y103 VanDerWaalsContact CE2-CD1 3.48Å; Y67-Y103 AromaticContact CE2-CE1 3.84Å; Y67-Y103 HydrophobicContact CE2-CE1 3.84Å; Y67-Y103 HydrophobicContact CE2-CG 4.28Å; Y67-Y103 HydrophobicContact CG-CD1 4.39Å; Y67-Y103 AromaticContact CZ-CD1 3.51Å; Y67-Y103 WeakPolarHBondContact OH-CA 3.27Å; Y67-Y103 PolarHBondContact OH-O 2.93Å; Y67-S106 WeakPolarHBondContact OH-CB 3.45Å; Y67-L107 HydrophobicContact CD1-CD1 4.04Å; Y67-L107 HydrophobicContact CE1-CB 4.2Å; Y67-L107 HydrophobicContact CE1-CD1 3.77Å; Y67-L107 PolarHBondContact OH-N 2.91Å; Y67-L110 VanDerWaalsContact CB-CD2 3.48Å; Y67-L110 HydrophobicContact CD1-CD2 3.75Å; Y67-L110 HydrophobicContact CD2-CD2 3.55Å; Y67-L110 HydrophobicContact CE1-CD2 4.29Å; Y67-L110 HydrophobicContact CE2-CD2 4.09Å; Y67-L110 HydrophobicContact CG-CD2 3.32Å
68I98.6Very high95.2Very high0 Ų051.3 Ų51.30%024%0.243CC..EExtended strand (participates in β ladder)trans-126.6105.4178.5-52.787.3000107.9A30 L31 I32 L56 L60 R66 L87 L88A30-I68 HydrophobicContact CB-CG2 3.87Å; L31-I68 WeakPolarHBondContact O-CA 3.24Å; I32-I68 HydrophobicContact CG1-CG1 4.33Å; I32-I68 HydrophobicContact CG1-CG2 4.44Å; L56-I68 HydrophobicContact CD1-CG2 3.91Å; L56-I68 HydrophobicContact CD2-CG2 3.99Å; L60-I68 HydrophobicContact CD1-CD1 4.05Å; L60-I68 HydrophobicContact CD1-CG1 4.27Å; L60-I68 HydrophobicContact CD2-CD1 3.91Å; L60-I68 HydrophobicContact CD2-CG1 3.83Å; R66-I68 HydrophobicContact CB-CD1 3.98Å; I68-L87 CarbonylContact O-C 3.56Å; I68-L87 WeakPolarHBondContact O-CA 3.41Å; I68-L88 HydrophobicContact CB-CB 4.14Å; I68-L88 HydrophobicContact CD1-CB 4.26Å; I68-L88 WeakPolarHBondContact CD1-O 3.42Å; I68-L88 PolarHBondContact N-O 2.67Å; I68-L88 PolarHBondContact O-N 3.29Å
69L98.6Very high95.1Very high0 Ų049.6 Ų49.60%025%0.248CC..EExtended strand (participates in β ladder)trans-76.6127.8165.6-71.9176000108.5L17 F20 A30 L31 L33 Y85 L87 V116L17-L69 HydrophobicContact CD2-CD1 3.49Å; L17-L69 VanDerWaalsContact CD2-CD1 3.49Å; F20-L69 HydrophobicContact CD1-CB 3.91Å; F20-L69 HydrophobicContact CD1-CD1 4.4Å; F20-L69 HydrophobicContact CE1-CB 3.58Å; F20-L69 WeakPolarHBondContact CE1-O 3.4Å; F20-L69 HydrophobicContact CZ-CB 4.34Å; F20-L69 VanDerWaalsContact CZ-O 3.25Å; F20-L69 WeakPolarHBondContact CZ-O 3.42Å; A30-L69 CarbonylContact C-O 3.54Å; A30-L69 WeakPolarHBondContact CA-O 3.06Å; L31-L69 HydrophobicContact CB-CB 4.31Å; L31-L69 HydrophobicContact CD2-CD1 4.29Å; L31-L69 PolarHBondContact N-O 3.42Å; L31-L69 PolarHBondContact O-N 2.86Å; L33-L69 HydrophobicContact CD1-CD1 4Å; L33-L69 HydrophobicContact CD1-CG 4.08Å; L69-Y85 HydrophobicContact CB-CE2 4.21Å; L69-Y85 HydrophobicContact CD1-CE2 4.48Å; L69-Y85 WeakPolarHBondContact CD1-OH 3.26Å; L69-Y85 HydrophobicContact CD2-CE2 4.01Å; L69-Y85 HydrophobicContact CG-CE2 4.48Å; L69-L87 HydrophobicContact CD2-CB 4.05Å; L69-L87 HydrophobicContact CD2-CD1 3.86Å; L69-L87 HydrophobicContact CD2-CG 4.48Å; L69-L87 HydrophobicContact CG-CD1 4.24Å; L69-V116 HydrophobicContact CD2-CB 4.17Å; L69-V116 HydrophobicContact CD2-CG1 4.27Å; L69-V116 HydrophobicContact CD2-CG2 4.32Å
70L98.2Very high94.9Very high0 Ų054.6 Ų54.60%026%0.261CS..EExtended strand (participates in β ladder)trans-128.4123.7-172.4-170.271.5000109.5T28 A30 L53 L56 Y72 Y85 C86 L88 L133T28-L70 HydrophobicContact CG2-CD1 3.69Å; T28-L70 HydrophobicContact CG2-CG 4.43Å; A30-L70 HydrophobicContact CB-CD1 3.77Å; L53-L70 HydrophobicContact CD2-CD2 3.91Å; L56-L70 HydrophobicContact CD2-CD1 4.1Å; L70-Y72 HydrophobicContact CD2-CD2 4.42Å; L70-Y72 HydrophobicContact CD2-CG 4.38Å; L70-Y85 WeakPolarHBondContact O-CA 3.46Å; L70-C86 PolarHBondContact N-O 3.05Å; L70-C86 PolarHBondContact O-N 3.42Å; L70-L88 HydrophobicContact CD2-CD1 4.15Å; L70-L133 HydrophobicContact CD2-CD2 3.57Å
71S97.6Very high94.9Very high16 Ų1657.4 Ų57.411%0.11228%0.278CS..EExtended strand (participates in β ladder)trans-9796.2160-176.20000106.4T28 V29T28-S71 VanDerWaalsContact CA-O 3.28Å; T28-S71 WeakPolarHBondContact CA-O 3.47Å; V29-S71 PolarHBondContact N-O 3.29Å; V29-S71 PolarHBondContact O-N 2.79Å
72Y97.1Very high94.8Very high16 Ų1658.2 Ų58.26%0.06328%0.283CS..  trans-92.1125.1-171.2175-119.9000110.6T28 L53 L70 Y74 F83 P84 D130 L133 L137T28-Y72 HydrophobicContact CG2-CD2 4.13Å; L53-Y72 HydrophobicContact CD1-CE2 4.03Å; L53-Y72 HydrophobicContact CD2-CD2 4.33Å; L53-Y72 HydrophobicContact CD2-CE2 4.42Å; L53-Y72 HydrophobicContact CG-CE2 4.14Å; L70-Y72 HydrophobicContact CD2-CD2 4.42Å; L70-Y72 HydrophobicContact CD2-CG 4.38Å; Y72-Y74 HydrophobicContact CD1-CG 4.39Å; Y72-Y74 AromaticContact CE1-CD2 3.88Å; Y72-Y74 HydrophobicContact CE1-CD2 3.88Å; Y72-Y74 HydrophobicContact CE1-CG 4.11Å; Y72-Y74 PolarHBondContact O-N 2.75Å; Y72-F83 VanDerWaalsContact O-CA 3.32Å; Y72-F83 WeakPolarHBondContact O-CA 3.48Å; Y72-P84 HydrophobicContact CD1-CG 4.21Å; Y72-P84 PolarHBondContact N-O 2.81Å; Y72-P84 WeakPolarHBondContact O-CD 3.34Å; Y72-D130 VanDerWaalsContact CE2-OD1 3.31Å; Y72-D130 WeakPolarHBondContact CE2-OD1 3.45Å; Y72-D130 PolarHBondContact OH-OD1 2.85Å; Y72-L133 HydrophobicContact CD1-CD2 3.57Å; Y72-L133 HydrophobicContact CD1-CG 4.21Å; Y72-L133 HydrophobicContact CD2-CD2 3.73Å; Y72-L133 HydrophobicContact CE1-CD2 3.91Å; Y72-L133 HydrophobicContact CE1-CG 4.34Å; Y72-L133 HydrophobicContact CE2-CD2 4.05Å; Y72-L133 HydrophobicContact CG-CD2 3.48Å; Y72-L133 VanDerWaalsContact CG-CD2 3.48Å; Y72-L137 HydrophobicContact CD1-CD1 3.89Å; Y72-L137 HydrophobicContact CE1-CD1 4.26Å
73R96.6Very high95Very high88 Ų8855.6 Ų55.633%0.33227%0.274SS..  trans-72.896.4173.2-175.8-174.1-176.1-88.5-8.1109.1Q26 T28 E75 V81 F83Q26-R73 WeakPolarHBondContact O-CD 3.35Å; Q26-R73 PolarHBondContact O-NE 3Å; T28-R73 WeakPolarHBondContact OG1-CB 3.41Å; T28-R73 PolarHBondContact OG1-N 3.26Å; R73-E75 IonicContact CZ-OE1 3.06Å; R73-E75 IonicContact NH1-OE1 3.64Å; R73-E75 PolarHBondContact NH1-OE1 2.89Å; R73-E75 IonicContact NH2-OE1 2.68Å; R73-E75 PolarHBondContact NH2-OE1 3.46Å; R73-V81 HydrophobicContact CG-CG1 3.86Å; R73-F83 HydrophobicContact CB-CD1 4.25Å; R73-F83 HydrophobicContact CB-CE1 3.74Å; R73-F83 HydrophobicContact CG-CE1 3.8Å; R73-F83 HydrophobicContact CG-CZ 4.07Å
74Y94.8Very high95.2Very high21 Ų2151.3 Ų51.38%0.08226%0.256CS..EExtended strand (participates in β ladder)trans-100.5105.9-177.3-177.9-143.9000111Y72 K76 V81 T82 K134 L137 E138Y72-Y74 HydrophobicContact CD1-CG 4.39Å; Y72-Y74 AromaticContact CE1-CD2 3.88Å; Y72-Y74 HydrophobicContact CE1-CD2 3.88Å; Y72-Y74 HydrophobicContact CE1-CG 4.11Å; Y72-Y74 PolarHBondContact O-N 2.75Å; Y74-K76 HydrophobicContact CD1-CG 4.06Å; Y74-K76 HydrophobicContact CE1-CD 4.36Å; Y74-K76 HydrophobicContact CE1-CG 3.75Å; Y74-V81 WeakPolarHBondContact O-CA 3.31Å; Y74-T82 PolarHBondContact N-O 3.32Å; Y74-T82 PolarHBondContact O-N 3.5Å; Y74-T82 PolarHBondContact O-OG1 2.88Å; Y74-K134 HydrophobicContact CE2-CB 4.38Å; Y74-K134 HydrophobicContact CE2-CD 4.12Å; Y74-K134 HydrophobicContact CE2-CG 3.96Å; Y74-K134 WeakPolarHBondContact OH-CE 3.26Å; Y74-K134 WeakPolarHBondContact OH-CG 3.32Å; Y74-L137 HydrophobicContact CD1-CD1 4.47Å; Y74-E138 PolarHBondContact OH-OE1 3.49Å
75E92.8Very high95.3Very high111 Ų11150.1 Ų50.152%0.51925%0.25SC..EExtended strand (participates in β ladder)trans-82.5116.8168.5-60.1-163.3170.400110.1R73 V81R73-E75 IonicContact CZ-OE1 3.06Å; R73-E75 IonicContact NH1-OE1 3.64Å; R73-E75 PolarHBondContact NH1-OE1 2.89Å; R73-E75 IonicContact NH2-OE1 2.68Å; R73-E75 PolarHBondContact NH2-OE1 3.46Å; E75-V81 HydrophobicContact CG-CG2 4.13Å
76K89.4Confident95.3Very high69 Ų6950.1 Ų50.130%0.325%0.25SC..  trans-81.4159.4174.5-62.7-168.8175.7-158.10110.7Y74 D78 G79 R80Y74-K76 HydrophobicContact CD1-CG 4.06Å; Y74-K76 HydrophobicContact CE1-CD 4.36Å; Y74-K76 HydrophobicContact CE1-CG 3.75Å; K76-D78 WeakPolarHBondContact CB-OD1 3.47Å; K76-D78 PolarHBondContact O-N 3.03Å; K76-D78 VanDerWaalsContact O-N 3.15Å; K76-G79 WeakPolarHBondContact O-CA 3.42Å; K76-G79 PolarHBondContact O-N 3.44Å; K76-R80 WeakPolarHBondContact CB-O 3.48Å; K76-R80 PolarHBondContact N-O 2.9Å
77E88.5Confident95.3Very high172 Ų17249.3 Ų49.380%0.80425%0.246SC*.THydrogen-bonded Turntrans-59.7-26178.9-67.1174.8-166.800113.6G79 K134E77-G79 PolarHBondContact O-N 2.81Å; E77-K134 IonicContact OE1-NZ 2.74Å; E77-K134 PolarHBondContact OE1-NZ 3.48Å
78D91Very high95.3Very high98 Ų9849.3 Ų49.352%0.52425%0.246SC..THydrogen-bonded Turntrans-81.36.8174.963.917.6000113.8K76 R80K76-D78 WeakPolarHBondContact CB-OD1 3.47Å; K76-D78 PolarHBondContact O-N 3.03Å; K76-D78 VanDerWaalsContact O-N 3.15Å; D78-R80 VanDerWaalsContact C-N 3.28Å; D78-R80 VanDerWaalsContact CG-NE 3.3Å; D78-R80 PolarHBondContact O-N 3.25Å; D78-R80 WeakPolarHBondContact OD1-CB 3.47Å; D78-R80 VanDerWaalsContact OD1-CG 3.26Å; D78-R80 WeakPolarHBondContact OD1-CG 3.27Å; D78-R80 PolarHBondContact OD1-N 3.37Å; D78-R80 IonicContact OD1-NE 3.15Å; D78-R80 PolarHBondContact OD1-NE 2.82Å; D78-R80 VanDerWaalsContact OD1-NE 3.15Å; D78-R80 IonicContact OD2-CZ 3.11Å; D78-R80 IonicContact OD2-NE 2.75Å; D78-R80 PolarHBondContact OD2-NE 2.82Å; D78-R80 IonicContact OD2-NH2 2.72Å; D78-R80 PolarHBondContact OD2-NH2 2.96Å
79G92.3Very high95.3Very high61 Ų6149.6 Ų49.663%0.62925%0.248SC*.SBendtrans80.8-1.8-17900000114.6K76 E77K76-G79 WeakPolarHBondContact O-CA 3.42Å; K76-G79 PolarHBondContact O-N 3.44Å; E77-G79 PolarHBondContact O-N 2.81Å
80R93.4Very high95.2Very high140 Ų14049.6 Ų49.653%0.52825%0.248SC..  trans-73131.4175.3-66.4-177.7-62168.2-5.7110.8K76 D78K76-R80 WeakPolarHBondContact CB-O 3.48Å; K76-R80 PolarHBondContact N-O 2.9Å; D78-R80 VanDerWaalsContact C-N 3.28Å; D78-R80 VanDerWaalsContact CG-NE 3.3Å; D78-R80 PolarHBondContact O-N 3.25Å; D78-R80 WeakPolarHBondContact OD1-CB 3.47Å; D78-R80 VanDerWaalsContact OD1-CG 3.26Å; D78-R80 WeakPolarHBondContact OD1-CG 3.27Å; D78-R80 PolarHBondContact OD1-N 3.37Å; D78-R80 IonicContact OD1-NE 3.15Å; D78-R80 PolarHBondContact OD1-NE 2.82Å; D78-R80 VanDerWaalsContact OD1-NE 3.15Å; D78-R80 IonicContact OD2-CZ 3.11Å; D78-R80 IonicContact OD2-NE 2.75Å; D78-R80 PolarHBondContact OD2-NE 2.82Å; D78-R80 IonicContact OD2-NH2 2.72Å; D78-R80 PolarHBondContact OD2-NH2 2.96Å
81V95.1Very high95.1Very high64 Ų6450.1 Ų50.139%0.38825%0.251SS..EExtended strand (participates in β ladder)trans-95.1128.1170.4-1700000109.2R73 Y74 E75 F83R73-V81 HydrophobicContact CG-CG1 3.86Å; Y74-V81 WeakPolarHBondContact O-CA 3.31Å; E75-V81 HydrophobicContact CG-CG2 4.13Å; V81-F83 HydrophobicContact CG1-CE2 3.93Å; V81-F83 HydrophobicContact CG1-CZ 3.98Å
82T94.5Very high94.9Very high44 Ų4449.6 Ų49.627%0.2725%0.247SC..EExtended strand (participates in β ladder)trans-125.1160.1174.657.70000110Y74 P84Y74-T82 PolarHBondContact N-O 3.32Å; Y74-T82 PolarHBondContact O-N 3.5Å; Y74-T82 PolarHBondContact O-OG1 2.88Å; T82-P84 WeakPolarHBondContact O-CD 3.36Å
83F96.1Very high94.4Very high72 Ų7255.9 Ų55.932%0.31628%0.279SS..  trans-123.468.9179.2-65.3-89.9000110.3S25 Q26 Y72 R73 V81 Y85S25-F83 WeakPolarHBondContact O-CE1 3.35Å; S25-F83 WeakPolarHBondContact O-CZ 3.24Å; Q26-F83 WeakPolarHBondContact O-CZ 3.27Å; Y72-F83 VanDerWaalsContact O-CA 3.32Å; Y72-F83 WeakPolarHBondContact O-CA 3.48Å; R73-F83 HydrophobicContact CB-CD1 4.25Å; R73-F83 HydrophobicContact CB-CE1 3.74Å; R73-F83 HydrophobicContact CG-CE1 3.8Å; R73-F83 HydrophobicContact CG-CZ 4.07Å; V81-F83 HydrophobicContact CG1-CE2 3.93Å; V81-F83 HydrophobicContact CG1-CZ 3.98Å; F83-Y85 PolarHBondContact O-N 2.83Å
84P95.5Very high94Very high23 Ų2354.4 Ų54.415%0.14929%0.291CS..  trans-54.5127.5174.821.1-33.8000111.1Y72 T82 L137Y72-P84 HydrophobicContact CD1-CG 4.21Å; Y72-P84 PolarHBondContact N-O 2.81Å; Y72-P84 WeakPolarHBondContact O-CD 3.34Å; T82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-L137 HydrophobicContact CB-CD1 4.31Å; P84-L137 HydrophobicContact CB-CD2 3.66Å; P84-L137 HydrophobicContact CG-CD1 3.73Å; P84-L137 HydrophobicContact CG-CD2 4.03Å
85Y97.2Very high93.7Very high40 Ų4053.7 Ų53.716%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-90.9112.4171.3178.5-120.2000109.1F20 K21 L69 L70 F83 S114 V116F20-Y85 AromaticContact CD1-CE2 3.75Å; F20-Y85 HydrophobicContact CD1-CE2 3.75Å; F20-Y85 HydrophobicContact CE1-CD2 4.33Å; F20-Y85 AromaticContact CE1-CE2 3.83Å; F20-Y85 HydrophobicContact CE1-CE2 3.83Å; K21-Y85 HydrophobicContact CB-CE1 4.21Å; K21-Y85 HydrophobicContact CB-CE2 4.44Å; K21-Y85 HydrophobicContact CD-CD1 4.49Å; K21-Y85 HydrophobicContact CD-CE1 4.03Å; K21-Y85 HydrophobicContact CG-CD1 4.15Å; K21-Y85 HydrophobicContact CG-CE1 3.87Å; L69-Y85 HydrophobicContact CB-CE2 4.21Å; L69-Y85 HydrophobicContact CD1-CE2 4.48Å; L69-Y85 WeakPolarHBondContact CD1-OH 3.26Å; L69-Y85 HydrophobicContact CD2-CE2 4.01Å; L69-Y85 HydrophobicContact CG-CE2 4.48Å; L70-Y85 WeakPolarHBondContact O-CA 3.46Å; F83-Y85 PolarHBondContact O-N 2.83Å; Y85-S114 WeakPolarHBondContact CE1-O 3.5Å; Y85-S114 WeakPolarHBondContact OH-CB 3.12Å; Y85-S114 PolarHBondContact OH-O 2.86Å; Y85-V116 HydrophobicContact CD1-CB 4.07Å; Y85-V116 HydrophobicContact CD1-CG2 3.91Å; Y85-V116 HydrophobicContact CE1-CB 3.58Å; Y85-V116 HydrophobicContact CE1-CG2 3.88Å
86C97.5Very high93.6Very high0 Ų050.9 Ų50.90%029%0.285CS..EExtended strand (participates in β ladder)trans-136.1164.4-177.262.70000112L70 K118 F120L70-C86 PolarHBondContact N-O 3.05Å; L70-C86 PolarHBondContact O-N 3.42Å; C86-K118 CarbonylContact C-O 3.53Å; C86-K118 VanDerWaalsContact CA-O 3.27Å; C86-K118 WeakPolarHBondContact CA-O 3.47Å; C86-K118 HydrophobicContact CB-CB 3.85Å; C86-K118 WeakPolarHBondContact CB-O 3.45Å; C86-F120 HydrophobicContact CB-CD2 4.22Å; C86-F120 HydrophobicContact CB-CE2 3.8Å
87L98.5Very high93.7Very high0 Ų053.3 Ų53.30%031%0.306CS..EExtended strand (participates in β ladder)trans-117.1117.8176.7173.965.4000108.7I68 L69 L107 L110 M111 V116 K118 V119 F120I68-L87 CarbonylContact O-C 3.56Å; I68-L87 WeakPolarHBondContact O-CA 3.41Å; L69-L87 HydrophobicContact CD2-CB 4.05Å; L69-L87 HydrophobicContact CD2-CD1 3.86Å; L69-L87 HydrophobicContact CD2-CG 4.48Å; L69-L87 HydrophobicContact CG-CD1 4.24Å; L87-L107 HydrophobicContact CD2-CD1 3.5Å; L87-L107 VanDerWaalsContact CD2-CD1 3.5Å; L87-L110 HydrophobicContact CD1-CD2 4.17Å; L87-L110 HydrophobicContact CD2-CD2 4.33Å; L87-M111 HydrophobicContact CD2-CG 4.07Å; L87-V116 HydrophobicContact CB-CB 4.45Å; L87-V116 HydrophobicContact CB-CG1 3.81Å; L87-V116 HydrophobicContact CB-CG2 3.93Å; L87-V116 HydrophobicContact CD2-CG1 4.08Å; L87-K118 PolarHBondContact N-O 3.45Å; L87-V119 HydrophobicContact CB-CG1 4.34Å; L87-V119 HydrophobicContact CB-CG2 4.18Å; L87-V119 HydrophobicContact CD2-CG1 4.01Å; L87-V119 HydrophobicContact CD2-CG2 4.21Å; L87-V119 HydrophobicContact CG-CG1 4.22Å; L87-V119 CarbonylContact O-C 3.57Å; L87-V119 WeakPolarHBondContact O-CA 3.22Å; L87-F120 PolarHBondContact O-N 2.88Å
88L98.3Very high93.8Very high0 Ų050.4 Ų50.40%030%0.295CS..EExtended strand (participates in β ladder)trans-92.1120.3168.1-43-175.5000108L56 I68 L70 F120 L128 W132 L133L56-L88 HydrophobicContact CD2-CD1 4.28Å; I68-L88 HydrophobicContact CB-CB 4.14Å; I68-L88 HydrophobicContact CD1-CB 4.26Å; I68-L88 WeakPolarHBondContact CD1-O 3.42Å; I68-L88 PolarHBondContact N-O 2.67Å; I68-L88 PolarHBondContact O-N 3.29Å; L70-L88 HydrophobicContact CD2-CD1 4.15Å; L88-F120 CarbonylContact C-O 3.55Å; L88-F120 WeakPolarHBondContact CA-O 3.4Å; L88-F120 HydrophobicContact CD2-CB 4.14Å; L88-F120 HydrophobicContact CD2-CD2 3.83Å; L88-F120 HydrophobicContact CD2-CG 4.49Å; L88-L128 HydrophobicContact CD1-CD1 3.69Å; L88-W132 HydrophobicContact CD2-CH2 4.26Å; L88-W132 HydrophobicContact CD2-CZ3 3.98Å; L88-L133 HydrophobicContact CD2-CD1 4.01Å
89F98.2Very high93.9Very high7 Ų746.1 Ų46.13%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-98.996.1173.9179.4-152.8000108.9P65 Y67 T91 Y103 L107 F120 E121 L122P65-F89 HydrophobicContact CB-CE2 4.27Å; Y67-F89 AromaticContact CD1-CD2 3.7Å; Y67-F89 HydrophobicContact CD1-CD2 3.7Å; Y67-F89 HydrophobicContact CD1-CE2 4.18Å; Y67-F89 HydrophobicContact CD1-CG 4.32Å; Y67-F89 AromaticContact CE1-CD2 3.73Å; Y67-F89 HydrophobicContact CE1-CD2 3.73Å; Y67-F89 AromaticContact CE1-CE2 3.79Å; Y67-F89 HydrophobicContact CE1-CE2 3.79Å; Y67-F89 HydrophobicContact CE1-CG 4.35Å; Y67-F89 HydrophobicContact CE1-CZ 4.41Å; F89-T91 HydrophobicContact CD1-CG2 3.77Å; F89-T91 HydrophobicContact CD2-CG2 3.75Å; F89-T91 HydrophobicContact CE1-CG2 3.41Å; F89-T91 VanDerWaalsContact CE1-CG2 3.41Å; F89-T91 HydrophobicContact CE2-CG2 3.35Å; F89-T91 HydrophobicContact CG-CG2 3.95Å; F89-T91 HydrophobicContact CZ-CG2 3.18Å; F89-T91 PolarHBondContact O-N 3.32Å; F89-Y103 HydrophobicContact CE2-CD1 4.03Å; F89-Y103 HydrophobicContact CE2-CG 4.3Å; F89-L107 HydrophobicContact CB-CD1 4.48Å; F89-L107 HydrophobicContact CD1-CD1 4.47Å; F89-L107 HydrophobicContact CD1-CD2 3.77Å; F89-L107 HydrophobicContact CE1-CD2 4.15Å; F89-L107 HydrophobicContact CG-CD1 4.43Å; F89-L107 HydrophobicContact CG-CD2 4.49Å; F89-F120 PolarHBondContact N-O 2.87Å; F89-E121 WeakPolarHBondContact O-CA 3.33Å; F89-L122 PolarHBondContact O-N 3.19Å
90S97.5Very high93.9Very high0 Ų046.1 Ų46.10%026%0.255CS..EExtended strand (participates in β ladder)trans-74.6120.5176.8179.70000110.1P65 R66 L122 L125P65-S90 CarbonylContact C-O 3.6Å; P65-S90 WeakPolarHBondContact CA-O 3.21Å; P65-S90 WeakPolarHBondContact CB-O 3.18Å; R66-S90 PolarHBondContact N-O 3.16Å; R66-S90 VanDerWaalsContact N-O 3.09Å; R66-S90 PolarHBondContact O-N 2.95Å; S90-L122 WeakPolarHBondContact CA-O 3.17Å; S90-L125 VanDerWaalsContact OG-CD2 3.32Å; S90-L125 WeakPolarHBondContact OG-CD2 3.47Å
91T95.3Very high93.9Very high10 Ų1042.6 Ų42.66%0.06125%0.246CC..  trans-129.256.3-17953.70000111.5F89 E121 L122F89-T91 HydrophobicContact CD1-CG2 3.77Å; F89-T91 HydrophobicContact CD2-CG2 3.75Å; F89-T91 HydrophobicContact CE1-CG2 3.41Å; F89-T91 VanDerWaalsContact CE1-CG2 3.41Å; F89-T91 HydrophobicContact CE2-CG2 3.35Å; F89-T91 HydrophobicContact CG-CG2 3.95Å; F89-T91 HydrophobicContact CZ-CG2 3.18Å; F89-T91 PolarHBondContact O-N 3.32Å; T91-E121 HydrophobicContact CG2-CG 4.42Å; T91-E121 WeakPolarHBondContact OG1-CG 3.37Å; T91-E121 PolarHBondContact OG1-OE1 3.49Å; T91-L122 PolarHBondContact N-O 3.33Å
92P93Very high93.9Very high5 Ų540.7 Ų40.73%0.03223%0.233CC..  trans-59.6145.9-168.325.2-31.5000111.3Y62 Q64 G94 S95 K100 R123Y62-P92 WeakPolarHBondContact O-CB 3.47Å; Q64-P92 WeakPolarHBondContact O-CG 3.31Å; P92-G94 PolarHBondContact O-N 2.81Å; P92-S95 WeakPolarHBondContact CD-OG 3.34Å; P92-S95 WeakPolarHBondContact CG-OG 3.43Å; P92-S95 WeakPolarHBondContact O-CB 3.31Å; P92-S95 PolarHBondContact O-N 3.32Å; P92-S95 PolarHBondContact O-OG 3.28Å; P92-K100 VanDerWaalsContact O-CE 3.26Å; P92-K100 WeakPolarHBondContact O-CE 3.26Å; P92-K100 PolarHBondContact O-NZ 2.98Å; P92-R123 WeakPolarHBondContact CA-O 3.45Å
93M87.9Confident94Very high148 Ų14838.8 Ų38.873%0.72922%0.221SC*.THydrogen-bonded Turntrans-50.8-38.8-172-72-173.873.800113.3S95 K100M93-S95 PolarHBondContact O-N 3.34Å; M93-S95 VanDerWaalsContact O-N 3.16Å; M93-K100 PolarHBondContact O-NZ 3.14Å
94G86.7Confident94Very high57 Ų5739 Ų3959%0.58823%0.228SC*.THydrogen-bonded Turntrans-69.5-3.4179.700000116.1P92P92-G94 PolarHBondContact O-N 2.81Å
95S89.3Confident94Very high7 Ų739.6 Ų39.65%0.04923%0.231CC..SBendtrans-72.9134.2-179.3-44.60000112.3H63 P92 M93 K100H63-S95 VanDerWaalsContact O-CA 3.31Å; H63-S95 WeakPolarHBondContact O-CA 3.42Å; P92-S95 WeakPolarHBondContact CD-OG 3.34Å; P92-S95 WeakPolarHBondContact CG-OG 3.43Å; P92-S95 WeakPolarHBondContact O-CB 3.31Å; P92-S95 PolarHBondContact O-N 3.32Å; P92-S95 PolarHBondContact O-OG 3.28Å; M93-S95 PolarHBondContact O-N 3.34Å; M93-S95 VanDerWaalsContact O-N 3.16Å; S95-K100 VanDerWaalsContact CB-CE 3.47Å; S95-K100 WeakPolarHBondContact O-CE 3.31Å
96A91.4Very high94Very high52 Ų5237.7 Ų37.743%0.4322%0.224SC..  trans-56.6140.5175.900000112.1N98 L99 K100A96-N98 VanDerWaalsContact C-N 3.35Å; A96-N98 VanDerWaalsContact CB-OD1 3.28Å; A96-N98 WeakPolarHBondContact CB-OD1 3.49Å; A96-N98 PolarHBondContact O-N 3.03Å; A96-L99 HydrophobicContact CB-CB 4.28Å; A96-L99 WeakPolarHBondContact O-CA 3.42Å; A96-L99 WeakPolarHBondContact O-CB 2.95Å; A96-L99 PolarHBondContact O-N 3.35Å; A96-K100 PolarHBondContact O-N 3.3Å
97T90.9Very high94Very high120 Ų12038.9 Ų38.974%0.73623%0.23SC*.Hα-helixtrans-56.6-43.9-174.4-55.40000113.4L99 K100 M101T97-L99 VanDerWaalsContact C-N 3.27Å; T97-L99 PolarHBondContact O-N 2.87Å; T97-K100 PolarHBondContact O-N 3.11Å; T97-M101 WeakPolarHBondContact O-CB 3.31Å; T97-M101 PolarHBondContact O-N 3.31Å
98N90.7Very high93.9Very high110 Ų11043.7 Ų43.759%0.58826%0.26SS*.Hα-helixtrans-62.3-36.6177.163.1-34.2000112.2A96 M102A96-N98 VanDerWaalsContact C-N 3.35Å; A96-N98 VanDerWaalsContact CB-OD1 3.28Å; A96-N98 WeakPolarHBondContact CB-OD1 3.49Å; A96-N98 PolarHBondContact O-N 3.03Å; N98-M102 WeakPolarHBondContact O-CB 3.25Å; N98-M102 PolarHBondContact O-N 3.45Å
99L92.1Very high93.8Very high8 Ų845.2 Ų45.24%0.04227%0.268CS..Hα-helixtrans-71.4-44.3178.5-171.355.1000111.3Q64 P65 A96 T97 M101 M102 Y103Q64-L99 HydrophobicContact CB-CD2 4.41Å; Q64-L99 HydrophobicContact CG-CD2 4.4Å; P65-L99 HydrophobicContact CG-CD2 4.2Å; P65-L99 HydrophobicContact CG-CG 3.76Å; A96-L99 HydrophobicContact CB-CB 4.28Å; A96-L99 WeakPolarHBondContact O-CA 3.42Å; A96-L99 WeakPolarHBondContact O-CB 2.95Å; A96-L99 PolarHBondContact O-N 3.35Å; T97-L99 VanDerWaalsContact C-N 3.27Å; T97-L99 PolarHBondContact O-N 2.87Å; L99-M101 VanDerWaalsContact C-N 3.32Å; L99-M101 PolarHBondContact O-N 2.97Å; L99-M102 HydrophobicContact CD1-CE 3.55Å; L99-M102 PolarHBondContact O-N 3.37Å; L99-Y103 HydrophobicContact CD1-CD2 3.89Å; L99-Y103 HydrophobicContact CD1-CE2 3.6Å; L99-Y103 HydrophobicContact CG-CD2 4.32Å; L99-Y103 HydrophobicContact CG-CE2 4.22Å; L99-Y103 WeakPolarHBondContact O-CD2 3.41Å; L99-Y103 PolarHBondContact O-N 2.92Å
100K92.6Very high93.8Very high61 Ų6144.9 Ų44.927%0.26527%0.266SS..Hα-helixtrans-55.8-49.5172.3-70.8-176.9173.6179.40110.5P92 M93 S95 A96 T97 M102 Y103 T104P92-K100 VanDerWaalsContact O-CE 3.26Å; P92-K100 WeakPolarHBondContact O-CE 3.26Å; P92-K100 PolarHBondContact O-NZ 2.98Å; M93-K100 PolarHBondContact O-NZ 3.14Å; S95-K100 VanDerWaalsContact CB-CE 3.47Å; S95-K100 WeakPolarHBondContact O-CE 3.31Å; A96-K100 PolarHBondContact O-N 3.3Å; T97-K100 PolarHBondContact O-N 3.11Å; K100-M102 PolarHBondContact O-N 3Å; K100-Y103 PolarHBondContact O-N 2.84Å; K100-T104 WeakPolarHBondContact O-CB 3.49Å; K100-T104 PolarHBondContact O-N 2.91Å; K100-T104 PolarHBondContact O-OG1 3.14Å
101M93.4Very high93.8Very high67 Ų6747.8 Ų47.833%0.3328%0.28SS..Hα-helixtrans-57.6-47.4178.8-177.3173.658.900112L4 T97 L99 Y103 T104 T105L4-M101 HydrophobicContact CD2-CG 3.91Å; L4-M101 HydrophobicContact CD2-SD 3.82Å; T97-M101 WeakPolarHBondContact O-CB 3.31Å; T97-M101 PolarHBondContact O-N 3.31Å; L99-M101 VanDerWaalsContact C-N 3.32Å; L99-M101 PolarHBondContact O-N 2.97Å; M101-Y103 VanDerWaalsContact C-N 3.31Å; M101-Y103 PolarHBondContact O-N 2.56Å; M101-T104 PolarHBondContact O-N 2.86Å; M101-T105 HydrophobicContact CG-CG2 4.39Å; M101-T105 VanDerWaalsContact O-CG2 3.32Å; M101-T105 WeakPolarHBondContact O-CG2 3.38Å; M101-T105 PolarHBondContact O-N 2.94Å; M101-T105 PolarHBondContact O-OG1 2.71Å
102M94.3Very high93.8Very high24 Ų2454.3 Ų54.312%0.11831%0.31CS..Hα-helixtrans-61.4-37.5178.6-171.3177.965.600112.7I35 K37 L40 N98 L99 K100 T105 S106I35-M102 HydrophobicContact CB-CE 3.75Å; I35-M102 HydrophobicContact CD1-CE 4.13Å; I35-M102 HydrophobicContact CD1-CG 3.98Å; I35-M102 HydrophobicContact CG2-CE 3.35Å; I35-M102 HydrophobicContact CG2-CG 4.44Å; I35-M102 HydrophobicContact CG2-SD 3.85Å; K37-M102 HydrophobicContact CG-CE 3.94Å; L40-M102 HydrophobicContact CD1-CG 4.28Å; L40-M102 HydrophobicContact CD1-SD 3.71Å; N98-M102 WeakPolarHBondContact O-CB 3.25Å; N98-M102 PolarHBondContact O-N 3.45Å; L99-M102 HydrophobicContact CD1-CE 3.55Å; L99-M102 PolarHBondContact O-N 3.37Å; K100-M102 PolarHBondContact O-N 3Å; M102-T105 WeakPolarHBondContact CA-OG1 3.33Å; M102-T105 PolarHBondContact O-OG1 3.46Å; M102-S106 WeakPolarHBondContact O-CB 3.46Å; M102-S106 PolarHBondContact O-N 2.86Å; M102-S106 PolarHBondContact O-OG 2.81Å
103Y96.8Very high94Very high4 Ų458.9 Ų58.92%0.01633%0.329CS..Hα-helixtrans-73.6-39.7174.4-85.2-113.7000111.9K34 I35 P65 Y67 F89 L99 K100 M101 T105 S106 L107K34-Y103 WeakPolarHBondContact CA-OH 3.21Å; I35-Y103 HydrophobicContact CB-CD2 4.32Å; I35-Y103 HydrophobicContact CB-CE2 3.68Å; I35-Y103 HydrophobicContact CD1-CD1 4.31Å; I35-Y103 HydrophobicContact CD1-CD2 3.55Å; I35-Y103 HydrophobicContact CD1-CE2 3.83Å; I35-Y103 HydrophobicContact CD1-CG 3.83Å; I35-Y103 HydrophobicContact CG1-CD1 4.42Å; I35-Y103 HydrophobicContact CG1-CD2 3.99Å; I35-Y103 HydrophobicContact CG1-CE1 4.21Å; I35-Y103 HydrophobicContact CG1-CE2 3.73Å; I35-Y103 HydrophobicContact CG1-CG 4.35Å; I35-Y103 PolarHBondContact N-OH 2.84Å; P65-Y103 HydrophobicContact CB-CD1 3.79Å; P65-Y103 HydrophobicContact CB-CD2 4.26Å; P65-Y103 HydrophobicContact CB-CE1 4.09Å; P65-Y103 HydrophobicContact CB-CG 3.86Å; P65-Y103 HydrophobicContact CG-CD1 3.88Å; P65-Y103 HydrophobicContact CG-CD2 3.46Å; P65-Y103 VanDerWaalsContact CG-CD2 3.46Å; P65-Y103 HydrophobicContact CG-CE1 4.03Å; P65-Y103 HydrophobicContact CG-CE2 3.64Å; P65-Y103 HydrophobicContact CG-CG 3.57Å; P65-Y103 VanDerWaalsContact O-CE1 3.27Å; P65-Y103 WeakPolarHBondContact O-CE1 3.06Å; P65-Y103 VanDerWaalsContact O-CZ 3.29Å; P65-Y103 PolarHBondContact O-OH 2.62Å; P65-Y103 VanDerWaalsContact O-OH 3.13Å; Y67-Y103 HydrophobicContact CD1-CD1 4.4Å; Y67-Y103 AromaticContact CD2-CD1 3.94Å; Y67-Y103 HydrophobicContact CD2-CD1 3.94Å; Y67-Y103 AromaticContact CD2-CE1 3.98Å; Y67-Y103 HydrophobicContact CD2-CE1 3.98Å; Y67-Y103 AromaticContact CE1-CD1 3.97Å; Y67-Y103 HydrophobicContact CE1-CD1 3.97Å; Y67-Y103 AromaticContact CE2-CD1 3.48Å; Y67-Y103 HydrophobicContact CE2-CD1 3.48Å; Y67-Y103 VanDerWaalsContact CE2-CD1 3.48Å; Y67-Y103 AromaticContact CE2-CE1 3.84Å; Y67-Y103 HydrophobicContact CE2-CE1 3.84Å; Y67-Y103 HydrophobicContact CE2-CG 4.28Å; Y67-Y103 HydrophobicContact CG-CD1 4.39Å; Y67-Y103 AromaticContact CZ-CD1 3.51Å; Y67-Y103 WeakPolarHBondContact OH-CA 3.27Å; Y67-Y103 PolarHBondContact OH-O 2.93Å; F89-Y103 HydrophobicContact CE2-CD1 4.03Å; F89-Y103 HydrophobicContact CE2-CG 4.3Å; L99-Y103 HydrophobicContact CD1-CD2 3.89Å; L99-Y103 HydrophobicContact CD1-CE2 3.6Å; L99-Y103 HydrophobicContact CG-CD2 4.32Å; L99-Y103 HydrophobicContact CG-CE2 4.22Å; L99-Y103 WeakPolarHBondContact O-CD2 3.41Å; L99-Y103 PolarHBondContact O-N 2.92Å; K100-Y103 PolarHBondContact O-N 2.84Å; M101-Y103 VanDerWaalsContact C-N 3.31Å; M101-Y103 PolarHBondContact O-N 2.56Å; Y103-T105 VanDerWaalsContact C-N 3.35Å; Y103-T105 PolarHBondContact O-N 3.21Å; Y103-S106 PolarHBondContact O-N 3.4Å; Y103-L107 PolarHBondContact O-N 3.28Å
104T96Very high94.5Very high76 Ų7652 Ų5247%0.46630%0.296SS..Hα-helixtrans-63.9-42.1177.8-59.10000111.4K100 M101 S106 L107K100-T104 WeakPolarHBondContact O-CB 3.49Å; K100-T104 PolarHBondContact O-N 2.91Å; K100-T104 PolarHBondContact O-OG1 3.14Å; M101-T104 PolarHBondContact O-N 2.86Å; T104-S106 VanDerWaalsContact C-N 3.31Å; T104-S106 PolarHBondContact O-N 2.78Å; T104-L107 WeakPolarHBondContact O-CB 3.17Å; T104-L107 PolarHBondContact O-N 3.41Å
105T95.6Very high94.9Very high35 Ų3550.6 Ų50.622%0.21528%0.282CS..Hα-helixtrans-65.7-34.3178.250.50000112.7L4 R5 M101 M102 Y103L4-T105 HydrophobicContact CB-CG2 3.99Å; L4-T105 HydrophobicContact CD2-CG2 3.43Å; L4-T105 VanDerWaalsContact CD2-CG2 3.43Å; L4-T105 HydrophobicContact CG-CG2 4.16Å; R5-T105 PolarHBondContact O-OG1 3.14Å; M101-T105 HydrophobicContact CG-CG2 4.39Å; M101-T105 VanDerWaalsContact O-CG2 3.32Å; M101-T105 WeakPolarHBondContact O-CG2 3.38Å; M101-T105 PolarHBondContact O-N 2.94Å; M101-T105 PolarHBondContact O-OG1 2.71Å; M102-T105 WeakPolarHBondContact CA-OG1 3.33Å; M102-T105 PolarHBondContact O-OG1 3.46Å; Y103-T105 VanDerWaalsContact C-N 3.35Å; Y103-T105 PolarHBondContact O-N 3.21Å
106S97.2Very high95.3Very high0 Ų050.6 Ų50.60%028%0.281CS..Hα-helixtrans-86.7-11.2-177-46.10000113.6A7 Y67 M102 Y103 T104 T108 N109 L110A7-S106 PolarHBondContact N-OG 3.14Å; Y67-S106 WeakPolarHBondContact OH-CB 3.45Å; M102-S106 WeakPolarHBondContact O-CB 3.46Å; M102-S106 PolarHBondContact O-N 2.86Å; M102-S106 PolarHBondContact O-OG 2.81Å; Y103-S106 PolarHBondContact O-N 3.4Å; T104-S106 VanDerWaalsContact C-N 3.31Å; T104-S106 PolarHBondContact O-N 2.78Å; S106-T108 PolarHBondContact O-N 2.99Å; S106-N109 WeakPolarHBondContact O-CB 3.42Å; S106-N109 PolarHBondContact O-N 3.48Å; S106-L110 PolarHBondContact O-N 3.32Å; S106-L110 VanDerWaalsContact O-N 3.16Å
107L97.7Very high95.5Very high26 Ų2654.1 Ų54.114%0.13630%0.298CS..Hα-helixtrans-57.5-46.2-176.917762.2000112.2Y67 L87 F89 Y103 T104 N109 L110 M111 V119Y67-L107 HydrophobicContact CD1-CD1 4.04Å; Y67-L107 HydrophobicContact CE1-CB 4.2Å; Y67-L107 HydrophobicContact CE1-CD1 3.77Å; Y67-L107 PolarHBondContact OH-N 2.91Å; L87-L107 HydrophobicContact CD2-CD1 3.5Å; L87-L107 VanDerWaalsContact CD2-CD1 3.5Å; F89-L107 HydrophobicContact CB-CD1 4.48Å; F89-L107 HydrophobicContact CD1-CD1 4.47Å; F89-L107 HydrophobicContact CD1-CD2 3.77Å; F89-L107 HydrophobicContact CE1-CD2 4.15Å; F89-L107 HydrophobicContact CG-CD1 4.43Å; F89-L107 HydrophobicContact CG-CD2 4.49Å; Y103-L107 PolarHBondContact O-N 3.28Å; T104-L107 WeakPolarHBondContact O-CB 3.17Å; T104-L107 PolarHBondContact O-N 3.41Å; L107-N109 VanDerWaalsContact C-N 3.31Å; L107-N109 PolarHBondContact O-N 2.89Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-M111 HydrophobicContact CD1-CG 4.29Å; L107-M111 HydrophobicContact CD1-SD 4.38Å; L107-M111 HydrophobicContact CG-CG 4.4Å; L107-M111 HydrophobicContact CG-SD 3.98Å; L107-M111 VanDerWaalsContact O-CG 3.31Å; L107-M111 WeakPolarHBondContact O-CG 3.23Å; L107-M111 PolarHBondContact O-N 3.16Å; L107-V119 HydrophobicContact CD1-CG1 4.34Å
108T96.5Very high95.8Very high101 Ų10150.7 Ų50.762%0.6227%0.273SS*.Hα-helixtrans-62-38.5-179.4-55.50000112.1S106 M111 H112S106-T108 PolarHBondContact O-N 2.99Å; T108-M111 PolarHBondContact O-N 3.27Å; T108-H112 PolarHBondContact O-N 2.94Å
109N96Very high96.1Very high32 Ų3247.6 Ų47.617%0.17126%0.258CS..Hα-helixtrans-62.4-46.9176.1-171.321000110.5V6 A7 S106 L107 M111 H112 K113V6-N109 HydrophobicContact CG1-CB 4.46Å; A7-N109 PolarHBondContact O-ND2 3.44Å; A7-N109 VanDerWaalsContact O-ND2 3.09Å; S106-N109 WeakPolarHBondContact O-CB 3.42Å; S106-N109 PolarHBondContact O-N 3.48Å; L107-N109 VanDerWaalsContact C-N 3.31Å; L107-N109 PolarHBondContact O-N 2.89Å; N109-M111 PolarHBondContact O-N 2.63Å; N109-H112 PolarHBondContact O-N 3.19Å; N109-K113 WeakPolarHBondContact O-CG 3.29Å; N109-K113 PolarHBondContact O-N 2.93Å
110L98.1Very high96.4Very high0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-60.9-42.9175.6179.760.4000112.6I9 L17 L33 I42 Y67 L87 S106 L107 H112 K113 S114I9-L110 HydrophobicContact CD1-CB 4.24Å; I9-L110 HydrophobicContact CD1-CD1 4.02Å; L17-L110 HydrophobicContact CD1-CD1 3.79Å; L17-L110 HydrophobicContact CD2-CD1 4.11Å; L33-L110 HydrophobicContact CD1-CD1 4.11Å; L33-L110 HydrophobicContact CD1-CD2 4.18Å; I42-L110 HydrophobicContact CD1-CB 3.94Å; I42-L110 HydrophobicContact CG2-CD1 4.49Å; Y67-L110 VanDerWaalsContact CB-CD2 3.48Å; Y67-L110 HydrophobicContact CD1-CD2 3.75Å; Y67-L110 HydrophobicContact CD2-CD2 3.55Å; Y67-L110 HydrophobicContact CE1-CD2 4.29Å; Y67-L110 HydrophobicContact CE2-CD2 4.09Å; Y67-L110 HydrophobicContact CG-CD2 3.32Å; L87-L110 HydrophobicContact CD1-CD2 4.17Å; L87-L110 HydrophobicContact CD2-CD2 4.33Å; S106-L110 PolarHBondContact O-N 3.32Å; S106-L110 VanDerWaalsContact O-N 3.16Å; L107-L110 PolarHBondContact O-N 3.32Å; L110-H112 VanDerWaalsContact C-N 3.34Å; L110-H112 PolarHBondContact O-N 2.78Å; L110-K113 PolarHBondContact O-N 3.5Å; L110-S114 WeakPolarHBondContact O-CB 3.34Å; L110-S114 PolarHBondContact O-N 2.86Å; L110-S114 PolarHBondContact O-OG 3.25Å
111M97.8Very high96.6Very high60 Ų6049 Ų4930%0.29627%0.265SS..Hα-helixtrans-58.8-47177.4-71.3169.76000111.5L87 L107 T108 N109 S114 G115 V116 V119L87-M111 HydrophobicContact CD2-CG 4.07Å; L107-M111 HydrophobicContact CD1-CG 4.29Å; L107-M111 HydrophobicContact CD1-SD 4.38Å; L107-M111 HydrophobicContact CG-CG 4.4Å; L107-M111 HydrophobicContact CG-SD 3.98Å; L107-M111 VanDerWaalsContact O-CG 3.31Å; L107-M111 WeakPolarHBondContact O-CG 3.23Å; L107-M111 PolarHBondContact O-N 3.16Å; T108-M111 PolarHBondContact O-N 3.27Å; N109-M111 PolarHBondContact O-N 2.63Å; M111-S114 PolarHBondContact O-OG 2.99Å; M111-G115 WeakPolarHBondContact O-CA 3.28Å; M111-G115 PolarHBondContact O-N 2.71Å; M111-V116 HydrophobicContact CB-CG1 4.39Å; M111-V116 HydrophobicContact CG-CG1 4.24Å; M111-V116 PolarHBondContact O-N 3.44Å; M111-V119 HydrophobicContact CE-CG2 3.73Å; M111-V119 HydrophobicContact CG-CG2 3.9Å; M111-V119 HydrophobicContact SD-CG2 3.85Å
112H96.3Very high96.7Very high148 Ų14845.8 Ų45.869%0.68525%0.249SC*.Hα-helixtrans-62.5-49.9178.5177.2-116.4000111.8T108 N109 L110 G115T108-H112 PolarHBondContact O-N 2.94Å; N109-H112 PolarHBondContact O-N 3.19Å; L110-H112 VanDerWaalsContact C-N 3.34Å; L110-H112 PolarHBondContact O-N 2.78Å; H112-G115 PolarHBondContact O-N 3.3Å
113K96.8Very high96.7Very high100 Ų10052.2 Ų52.244%0.43527%0.272SS..Hα-helixtrans-69.3-35.8-177.7-68-67.7-1711710113.5I9 L17 N109 L110 G115I9-K113 HydrophobicContact CB-CG 4.3Å; I9-K113 HydrophobicContact CD1-CB 3.66Å; I9-K113 HydrophobicContact CD1-CG 3.69Å; I9-K113 HydrophobicContact CG2-CB 4.48Å; I9-K113 HydrophobicContact CG2-CG 4.43Å; L17-K113 HydrophobicContact CD1-CB 4.08Å; N109-K113 WeakPolarHBondContact O-CG 3.29Å; N109-K113 PolarHBondContact O-N 2.93Å; L110-K113 PolarHBondContact O-N 3.5Å; K113-G115 VanDerWaalsContact C-N 3.34Å
114S97.2Very high96.5Very high3 Ų357 Ų572%0.02129%0.294CS..Hα-helixtrans-80.4-17176.667.10000113.1Y85 L110 M111 V116Y85-S114 WeakPolarHBondContact CE1-O 3.5Å; Y85-S114 WeakPolarHBondContact OH-CB 3.12Å; Y85-S114 PolarHBondContact OH-O 2.86Å; L110-S114 WeakPolarHBondContact O-CB 3.34Å; L110-S114 PolarHBondContact O-N 2.86Å; L110-S114 PolarHBondContact O-OG 3.25Å; M111-S114 PolarHBondContact O-OG 2.99Å; S114-V116 PolarHBondContact O-N 3.36Å; S114-V116 WeakPolarHBondContact OG-CG1 3.46Å; S114-V116 PolarHBondContact OG-N 3.46Å
115G96.2Very high96.3Very high29 Ų2953.7 Ų53.730%0.29927%0.274SS..THydrogen-bonded Turntrans59.328.7-175.500000113.3K21 M111 H112 K113K21-G115 PolarHBondContact NZ-O 3.12Å; M111-G115 WeakPolarHBondContact O-CA 3.28Å; M111-G115 PolarHBondContact O-N 2.71Å; H112-G115 PolarHBondContact O-N 3.3Å; K113-G115 VanDerWaalsContact C-N 3.34Å
116V97.4Very high96.2Very high6 Ų657.2 Ų57.24%0.03629%0.288CS..  trans-82.9138.1175.371.90000109.6L69 Y85 L87 M111 S114 V119L69-V116 HydrophobicContact CD2-CB 4.17Å; L69-V116 HydrophobicContact CD2-CG1 4.27Å; L69-V116 HydrophobicContact CD2-CG2 4.32Å; Y85-V116 HydrophobicContact CD1-CB 4.07Å; Y85-V116 HydrophobicContact CD1-CG2 3.91Å; Y85-V116 HydrophobicContact CE1-CB 3.58Å; Y85-V116 HydrophobicContact CE1-CG2 3.88Å; L87-V116 HydrophobicContact CB-CB 4.45Å; L87-V116 HydrophobicContact CB-CG1 3.81Å; L87-V116 HydrophobicContact CB-CG2 3.93Å; L87-V116 HydrophobicContact CD2-CG1 4.08Å; M111-V116 HydrophobicContact CB-CG1 4.39Å; M111-V116 HydrophobicContact CG-CG1 4.24Å; M111-V116 PolarHBondContact O-N 3.44Å; S114-V116 PolarHBondContact O-N 3.36Å; S114-V116 WeakPolarHBondContact OG-CG1 3.46Å; S114-V116 PolarHBondContact OG-N 3.46Å; V116-V119 HydrophobicContact CG1-CG2 4.31Å
117T95.6Very high96.1Very high127 Ų12760.6 Ų60.678%0.77931%0.306SS*.  trans-114.2-21.7-178.456.10000113
118K97.1Very high96.1Very high48 Ų4859.8 Ų59.821%0.20930%0.302CS..EExtended strand (participates in β ladder)trans-99.5110.9176.9-64.9-175.9179.5-66.20109C86 L87 F120 L137 T140C86-K118 CarbonylContact C-O 3.53Å; C86-K118 VanDerWaalsContact CA-O 3.27Å; C86-K118 WeakPolarHBondContact CA-O 3.47Å; C86-K118 HydrophobicContact CB-CB 3.85Å; C86-K118 WeakPolarHBondContact CB-O 3.45Å; L87-K118 PolarHBondContact N-O 3.45Å; K118-F120 HydrophobicContact CB-CE2 4.19Å; K118-F120 HydrophobicContact CB-CZ 3.95Å; K118-L137 HydrophobicContact CD-CD2 3.93Å; K118-T140 PolarHBondContact NZ-O 3.43Å; K118-T140 PolarHBondContact NZ-OG1 2.98Å
119V97.9Very high96.1Very high45 Ų4556.7 Ų56.727%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-125.6128.6-177.5-173.50000109.2L87 L107 M111 V116L87-V119 HydrophobicContact CB-CG1 4.34Å; L87-V119 HydrophobicContact CB-CG2 4.18Å; L87-V119 HydrophobicContact CD2-CG1 4.01Å; L87-V119 HydrophobicContact CD2-CG2 4.21Å; L87-V119 HydrophobicContact CG-CG1 4.22Å; L87-V119 CarbonylContact O-C 3.57Å; L87-V119 WeakPolarHBondContact O-CA 3.22Å; L107-V119 HydrophobicContact CD1-CG1 4.34Å; M111-V119 HydrophobicContact CE-CG2 3.73Å; M111-V119 HydrophobicContact CG-CG2 3.9Å; M111-V119 HydrophobicContact SD-CG2 3.85Å; V116-V119 HydrophobicContact CG1-CG2 4.31Å
120F97.8Very high96.1Very high10 Ų1058.7 Ų58.74%0.04430%0.295CS..EExtended strand (participates in β ladder)trans-127.8127-177.1-50.9-55.9000109.6C86 L87 L88 F89 K118 W132 L133 N136 L137 T140C86-F120 HydrophobicContact CB-CD2 4.22Å; C86-F120 HydrophobicContact CB-CE2 3.8Å; L87-F120 PolarHBondContact O-N 2.88Å; L88-F120 CarbonylContact C-O 3.55Å; L88-F120 WeakPolarHBondContact CA-O 3.4Å; L88-F120 HydrophobicContact CD2-CB 4.14Å; L88-F120 HydrophobicContact CD2-CD2 3.83Å; L88-F120 HydrophobicContact CD2-CG 4.49Å; F89-F120 PolarHBondContact N-O 2.87Å; K118-F120 HydrophobicContact CB-CE2 4.19Å; K118-F120 HydrophobicContact CB-CZ 3.95Å; F120-W132 HydrophobicContact CB-CH2 3.71Å; F120-W132 HydrophobicContact CB-CZ2 4.36Å; F120-W132 HydrophobicContact CB-CZ3 4.46Å; F120-L133 HydrophobicContact CD2-CD1 3.98Å; F120-L133 HydrophobicContact CE2-CD1 4.05Å; F120-N136 HydrophobicContact CD1-CB 3.64Å; F120-N136 HydrophobicContact CD2-CB 4.18Å; F120-N136 HydrophobicContact CE1-CB 3.67Å; F120-N136 VanDerWaalsContact CE1-O 3.31Å; F120-N136 WeakPolarHBondContact CE1-O 3.39Å; F120-N136 HydrophobicContact CE2-CB 4.2Å; F120-N136 HydrophobicContact CG-CB 3.91Å; F120-N136 HydrophobicContact CZ-CB 3.95Å; F120-N136 WeakPolarHBondContact CZ-O 3.33Å; F120-L137 HydrophobicContact CE2-CD2 3.92Å; F120-L137 HydrophobicContact CE2-CG 4.31Å; F120-L137 HydrophobicContact CZ-CD2 4.08Å; F120-L137 HydrophobicContact CZ-CG 4.47Å; F120-T140 HydrophobicContact CE1-CG2 3.96Å; F120-T140 HydrophobicContact CZ-CG2 4.47Å
121E96.5Very high95.9Very high88 Ų8864.9 Ų64.941%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-83.8125.1175.7-169.6-177.1-163.800109.8F89 T91 R123F89-E121 WeakPolarHBondContact O-CA 3.33Å; T91-E121 HydrophobicContact CG2-CG 4.42Å; T91-E121 WeakPolarHBondContact OG1-CG 3.37Å; T91-E121 PolarHBondContact OG1-OE1 3.49Å; E121-R123 HydrophobicContact CG-CG 4.05Å; E121-R123 IonicContact OE1-NE 3.64Å; E121-R123 IonicContact OE1-NH2 3.93Å; E121-R123 IonicContact OE2-CZ 3.32Å; E121-R123 VanDerWaalsContact OE2-CZ 3.32Å; E121-R123 IonicContact OE2-NE 2.92Å; E121-R123 PolarHBondContact OE2-NE 3.37Å; E121-R123 IonicContact OE2-NH2 2.81Å; E121-R123 PolarHBondContact OE2-NH2 3.47Å
122L95.9Very high95.9Very high0 Ų063.9 Ų63.90%032%0.317CS..EExtended strand (participates in β ladder)trans-108.796.4177.7-179.270.5000108.9F89 S90 T91 E124 L125 D127 L128 W132F89-L122 PolarHBondContact O-N 3.19Å; S90-L122 WeakPolarHBondContact CA-O 3.17Å; T91-L122 PolarHBondContact N-O 3.33Å; L122-E124 WeakPolarHBondContact CD1-O 3.35Å; L122-L125 HydrophobicContact CD2-CD2 3.71Å; L122-L125 HydrophobicContact CG-CD2 4.44Å; L122-D127 HydrophobicContact CD1-CB 4.08Å; L122-L128 HydrophobicContact CD1-CB 4.11Å; L122-L128 HydrophobicContact CD2-CB 3.92Å; L122-L128 HydrophobicContact CD2-CD1 4.32Å; L122-L128 HydrophobicContact CD2-CD2 4.05Å; L122-L128 HydrophobicContact CD2-CG 4.32Å; L122-W132 HydrophobicContact CB-CH2 4.28Å; L122-W132 HydrophobicContact CB-CZ2 4.44Å; L122-W132 HydrophobicContact CD1-CH2 4.13Å; L122-W132 HydrophobicContact CD1-CZ2 3.97Å
123R93.4Very high95.9Very high158 Ų15856.8 Ų56.860%0.59628%0.284SS*.SBendtrans-83.5-30.3-176.8-64.1-177.8176.9-156.8-1.9112.9P92 E121P92-R123 WeakPolarHBondContact CA-O 3.45Å; E121-R123 HydrophobicContact CG-CG 4.05Å; E121-R123 IonicContact OE1-NE 3.64Å; E121-R123 IonicContact OE1-NH2 3.93Å; E121-R123 IonicContact OE2-CZ 3.32Å; E121-R123 VanDerWaalsContact OE2-CZ 3.32Å; E121-R123 IonicContact OE2-NE 2.92Å; E121-R123 PolarHBondContact OE2-NE 3.37Å; E121-R123 IonicContact OE2-NH2 2.81Å; E121-R123 PolarHBondContact OE2-NH2 3.47Å
124E92.9Very high95.8Very high104 Ų10454.7 Ų54.749%0.48628%0.275SS..  trans-121.7121.7176-59.5-169.6-163.700108L122 E126 D127L122-E124 WeakPolarHBondContact CD1-O 3.35Å; E124-E126 PolarHBondContact O-N 2.86Å; E124-D127 WeakPolarHBondContact O-CB 3.25Å; E124-D127 PolarHBondContact O-N 3.36Å
125L93.3Very high95.7Very high7 Ų760.4 Ų60.44%0.03730%0.301CS..G310 helixtrans-63.5-25.9179.6-70.9-178.3000112.1K57 L60 Y62 S90 L122 D127 L128K57-L125 WeakPolarHBondContact CD-O 3.41Å; K57-L125 HydrophobicContact CG-CB 4.31Å; L60-L125 HydrophobicContact CB-CD1 4.09Å; L60-L125 HydrophobicContact CB-CD2 4.09Å; L60-L125 HydrophobicContact CD1-CD2 3.9Å; Y62-L125 HydrophobicContact CD1-CD1 3.81Å; Y62-L125 HydrophobicContact CE1-CB 4.38Å; Y62-L125 HydrophobicContact CE1-CD1 4.11Å; Y62-L125 HydrophobicContact CG-CD1 4.12Å; S90-L125 VanDerWaalsContact OG-CD2 3.32Å; S90-L125 WeakPolarHBondContact OG-CD2 3.47Å; L122-L125 HydrophobicContact CD2-CD2 3.71Å; L122-L125 HydrophobicContact CG-CD2 4.44Å; L125-D127 PolarHBondContact O-N 3.04Å; L125-L128 VanDerWaalsContact O-CB 3.25Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 3.01Å; L125-L128 VanDerWaalsContact O-N 3.14Å
126E93.5Very high95.7Very high110 Ų11060 Ų6051%0.51429%0.293SS..G310 helixtrans-67.5-22.5178.2-63.3-52.5142.900113.4K57 E124 L128K57-E126 IonicContact NZ-OE1 3.23Å; K57-E126 IonicContact NZ-OE2 3.38Å; K57-E126 PolarHBondContact NZ-OE2 3.32Å; E124-E126 PolarHBondContact O-N 2.86Å; E126-L128 PolarHBondContact O-N 3.32Å
127D95Very high95.5Very high71 Ų7160.2 Ų60.238%0.3829%0.293SS..G310 helixtrans-70.5-19.1174.3-67.1-19.9000112.1L122 E124 L125 S129 W132L122-D127 HydrophobicContact CD1-CB 4.08Å; E124-D127 WeakPolarHBondContact O-CB 3.25Å; E124-D127 PolarHBondContact O-N 3.36Å; L125-D127 PolarHBondContact O-N 3.04Å; D127-S129 PolarHBondContact O-N 3.44Å; D127-S129 PolarHBondContact O-OG 2.9Å; D127-W132 HydrophobicContact CB-CG 4.42Å; D127-W132 WeakPolarHBondContact O-CB 3.45Å; D127-W132 VanDerWaalsContact O-CG 3.31Å
128L96.9Very high95.3Very high8 Ų858.8 Ų58.84%0.04228%0.278CS..  trans-6797.5-175.9-175.657.6000111.2L53 L56 K57 L60 L88 L122 L125 E126 W132L53-L128 HydrophobicContact CB-CG 4.4Å; L53-L128 HydrophobicContact CD2-CD1 4.38Å; L56-L128 HydrophobicContact CB-CD2 4.4Å; L56-L128 HydrophobicContact CD2-CD2 4.04Å; L56-L128 HydrophobicContact CG-CD2 4Å; K57-L128 HydrophobicContact CB-CD2 4.1Å; L60-L128 HydrophobicContact CD1-CD2 4.22Å; L88-L128 HydrophobicContact CD1-CD1 3.69Å; L122-L128 HydrophobicContact CD1-CB 4.11Å; L122-L128 HydrophobicContact CD2-CB 3.92Å; L122-L128 HydrophobicContact CD2-CD1 4.32Å; L122-L128 HydrophobicContact CD2-CD2 4.05Å; L122-L128 HydrophobicContact CD2-CG 4.32Å; L125-L128 VanDerWaalsContact O-CB 3.25Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 3.01Å; L125-L128 VanDerWaalsContact O-N 3.14Å; E126-L128 PolarHBondContact O-N 3.32Å; L128-W132 HydrophobicContact CD1-CE3 4.35Å; L128-W132 HydrophobicContact CD1-CZ3 4.31Å
129S96.4Very high95Very high37 Ų3766.1 Ų66.126%0.25930%0.304SS..SBendtrans-145.5164.4-175.756.80000110.8L53 D127 E131 W132 L133L53-S129 VanDerWaalsContact CD1-C 3.41Å; L53-S129 VanDerWaalsContact CD1-O 3.27Å; L53-S129 WeakPolarHBondContact CD1-O 3.3Å; D127-S129 PolarHBondContact O-N 3.44Å; D127-S129 PolarHBondContact O-OG 2.9Å; S129-E131 VanDerWaalsContact C-N 3.28Å; S129-E131 PolarHBondContact O-N 2.83Å; S129-W132 PolarHBondContact O-N 2.87Å; S129-W132 WeakPolarHBondContact OG-CB 3.46Å; S129-W132 PolarHBondContact OG-N 3.15Å; S129-L133 PolarHBondContact O-N 3.35Å
130D95.6Very high94.1Very high74 Ų7467 Ų6740%0.39631%0.31SS..Hα-helixtrans-64.2-38.2177.5-70-69.6000110.5Y72 L133 K134Y72-D130 VanDerWaalsContact CE2-OD1 3.31Å; Y72-D130 WeakPolarHBondContact CE2-OD1 3.45Å; Y72-D130 PolarHBondContact OH-OD1 2.85Å; D130-L133 PolarHBondContact O-N 2.85Å; D130-K134 VanDerWaalsContact O-CB 3.24Å; D130-K134 WeakPolarHBondContact O-CB 3.49Å; D130-K134 PolarHBondContact O-N 3.43Å
131E95.4Very high92.6Very high129 Ų12973.1 Ų73.160%0.60336%0.362SS*.Hα-helixtrans-61.3-51.9175.2-64.673.5-161.900111.3S129 L133 K134 E135S129-E131 VanDerWaalsContact C-N 3.28Å; S129-E131 PolarHBondContact O-N 2.83Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 3.02Å; E131-K134 PolarHBondContact O-N 3.26Å; E131-E135 WeakPolarHBondContact O-CG 3.43Å; E131-E135 PolarHBondContact O-N 3.45Å
132W96.5Very high92.4Very high39 Ų3972.4 Ų72.415%0.14836%0.36CS..Hα-helixtrans-59.5-42.8178.9176.592.8000112L88 F120 L122 D127 L128 S129 N136L88-W132 HydrophobicContact CD2-CH2 4.26Å; L88-W132 HydrophobicContact CD2-CZ3 3.98Å; F120-W132 HydrophobicContact CB-CH2 3.71Å; F120-W132 HydrophobicContact CB-CZ2 4.36Å; F120-W132 HydrophobicContact CB-CZ3 4.46Å; L122-W132 HydrophobicContact CB-CH2 4.28Å; L122-W132 HydrophobicContact CB-CZ2 4.44Å; L122-W132 HydrophobicContact CD1-CH2 4.13Å; L122-W132 HydrophobicContact CD1-CZ2 3.97Å; D127-W132 HydrophobicContact CB-CG 4.42Å; D127-W132 WeakPolarHBondContact O-CB 3.45Å; D127-W132 VanDerWaalsContact O-CG 3.31Å; L128-W132 HydrophobicContact CD1-CE3 4.35Å; L128-W132 HydrophobicContact CD1-CZ3 4.31Å; S129-W132 PolarHBondContact O-N 2.87Å; S129-W132 WeakPolarHBondContact OG-CB 3.46Å; S129-W132 PolarHBondContact OG-N 3.15Å; W132-N136 PolarHBondContact O-N 2.93Å; W132-N136 VanDerWaalsContact O-N 3.15Å; W132-N136 PolarHBondContact O-ND2 3.26Å
133L96.8Very high92.2Very high0 Ų076.2 Ų76.20%038%0.379CS..Hα-helixtrans-69.8-40-179.8-175.656.7000111.2L53 L70 Y72 L88 F120 S129 D130 E131 N136 L137L53-L133 HydrophobicContact CD1-CB 4.03Å; L53-L133 HydrophobicContact CD1-CD2 3.92Å; L53-L133 HydrophobicContact CD2-CD2 4.23Å; L70-L133 HydrophobicContact CD2-CD2 3.57Å; Y72-L133 HydrophobicContact CD1-CD2 3.57Å; Y72-L133 HydrophobicContact CD1-CG 4.21Å; Y72-L133 HydrophobicContact CD2-CD2 3.73Å; Y72-L133 HydrophobicContact CE1-CD2 3.91Å; Y72-L133 HydrophobicContact CE1-CG 4.34Å; Y72-L133 HydrophobicContact CE2-CD2 4.05Å; Y72-L133 HydrophobicContact CG-CD2 3.48Å; Y72-L133 VanDerWaalsContact CG-CD2 3.48Å; L88-L133 HydrophobicContact CD2-CD1 4.01Å; F120-L133 HydrophobicContact CD2-CD1 3.98Å; F120-L133 HydrophobicContact CE2-CD1 4.05Å; S129-L133 PolarHBondContact O-N 3.35Å; D130-L133 PolarHBondContact O-N 2.85Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 3.02Å; L133-N136 PolarHBondContact O-N 3.33Å; L133-L137 HydrophobicContact CD1-CD1 4.31Å; L133-L137 HydrophobicContact CD1-CG 4.2Å; L133-L137 HydrophobicContact CG-CD1 3.92Å; L133-L137 HydrophobicContact CG-CG 4.3Å; L133-L137 WeakPolarHBondContact O-CB 3.42Å; L133-L137 VanDerWaalsContact O-CG 3.22Å; L133-L137 WeakPolarHBondContact O-CG 3.21Å; L133-L137 PolarHBondContact O-N 2.97Å
134K94.6Very high92.1Very high56 Ų5671.7 Ų71.724%0.24337%0.367CS..Hα-helixtrans-57.3-51174.5178.1176176.8-173.10111.2Y74 E77 D130 E131 N136 L137 E138Y74-K134 HydrophobicContact CE2-CB 4.38Å; Y74-K134 HydrophobicContact CE2-CD 4.12Å; Y74-K134 HydrophobicContact CE2-CG 3.96Å; Y74-K134 WeakPolarHBondContact OH-CE 3.26Å; Y74-K134 WeakPolarHBondContact OH-CG 3.32Å; E77-K134 IonicContact OE1-NZ 2.74Å; E77-K134 PolarHBondContact OE1-NZ 3.48Å; D130-K134 VanDerWaalsContact O-CB 3.24Å; D130-K134 WeakPolarHBondContact O-CB 3.49Å; D130-K134 PolarHBondContact O-N 3.43Å; E131-K134 PolarHBondContact O-N 3.26Å; K134-N136 VanDerWaalsContact C-N 3.29Å; K134-N136 PolarHBondContact O-N 2.75Å; K134-L137 PolarHBondContact O-N 2.72Å; K134-L137 VanDerWaalsContact O-N 3.16Å; K134-E138 WeakPolarHBondContact CE-OE1 3.2Å; K134-E138 HydrophobicContact CG-CG 4.45Å; K134-E138 WeakPolarHBondContact CG-OE1 3.49Å; K134-E138 WeakPolarHBondContact O-CG 3.2Å; K134-E138 PolarHBondContact O-N 3.15Å
135E94.8Very high92.1Very high122 Ų12269.8 Ų69.857%0.5736%0.36SS*.Hα-helixtrans-56.9-43.3178.4-72.8179.617800112E131 E138 R139E131-E135 WeakPolarHBondContact O-CG 3.43Å; E131-E135 PolarHBondContact O-N 3.45Å; E135-E138 PolarHBondContact O-N 3.39Å; E135-R139 VanDerWaalsContact O-CG 3.26Å; E135-R139 WeakPolarHBondContact O-CG 3.38Å; E135-R139 PolarHBondContact O-N 2.81Å; E135-R139 VanDerWaalsContact O-N 3.14Å
136N95.8Very high92Very high22 Ų2273.7 Ų73.712%0.11838%0.38CS..Hα-helixtrans-67.4-39.7177.7-84-73.1000113.1F120 W132 L133 K134 T140F120-N136 HydrophobicContact CD1-CB 3.64Å; F120-N136 HydrophobicContact CD2-CB 4.18Å; F120-N136 HydrophobicContact CE1-CB 3.67Å; F120-N136 VanDerWaalsContact CE1-O 3.31Å; F120-N136 WeakPolarHBondContact CE1-O 3.39Å; F120-N136 HydrophobicContact CE2-CB 4.2Å; F120-N136 HydrophobicContact CG-CB 3.91Å; F120-N136 HydrophobicContact CZ-CB 3.95Å; F120-N136 WeakPolarHBondContact CZ-O 3.33Å; W132-N136 PolarHBondContact O-N 2.93Å; W132-N136 VanDerWaalsContact O-N 3.15Å; W132-N136 PolarHBondContact O-ND2 3.26Å; L133-N136 PolarHBondContact O-N 3.33Å; K134-N136 VanDerWaalsContact C-N 3.29Å; K134-N136 PolarHBondContact O-N 2.75Å; N136-T140 PolarHBondContact O-OG1 2.7Å
137L94.4Very high91.9Very high10 Ų1071.3 Ų71.35%0.05237%0.371CS..Hα-helixtrans-65.1-40.1176.7-73.7169.6000111.9Y72 Y74 P84 K118 F120 L133 K134 T140 A141Y72-L137 HydrophobicContact CD1-CD1 3.89Å; Y72-L137 HydrophobicContact CE1-CD1 4.26Å; Y74-L137 HydrophobicContact CD1-CD1 4.47Å; P84-L137 HydrophobicContact CB-CD1 4.31Å; P84-L137 HydrophobicContact CB-CD2 3.66Å; P84-L137 HydrophobicContact CG-CD1 3.73Å; P84-L137 HydrophobicContact CG-CD2 4.03Å; K118-L137 HydrophobicContact CD-CD2 3.93Å; F120-L137 HydrophobicContact CE2-CD2 3.92Å; F120-L137 HydrophobicContact CE2-CG 4.31Å; F120-L137 HydrophobicContact CZ-CD2 4.08Å; F120-L137 HydrophobicContact CZ-CG 4.47Å; L133-L137 HydrophobicContact CD1-CD1 4.31Å; L133-L137 HydrophobicContact CD1-CG 4.2Å; L133-L137 HydrophobicContact CG-CD1 3.92Å; L133-L137 HydrophobicContact CG-CG 4.3Å; L133-L137 WeakPolarHBondContact O-CB 3.42Å; L133-L137 VanDerWaalsContact O-CG 3.22Å; L133-L137 WeakPolarHBondContact O-CG 3.21Å; L133-L137 PolarHBondContact O-N 2.97Å; K134-L137 PolarHBondContact O-N 2.72Å; K134-L137 VanDerWaalsContact O-N 3.16Å; L137-T140 PolarHBondContact O-N 2.68Å; L137-T140 PolarHBondContact O-OG1 3.24Å; L137-A141 PolarHBondContact O-N 3.06Å
138E91Very high91.7Very high96 Ų9671.3 Ų71.345%0.44937%0.37SS..Hα-helixtrans-71.7-34.2-179.2-71.9177.2174.400112.8Y74 K134 E135 T140 A141Y74-E138 PolarHBondContact OH-OE1 3.49Å; K134-E138 WeakPolarHBondContact CE-OE1 3.2Å; K134-E138 HydrophobicContact CG-CG 4.45Å; K134-E138 WeakPolarHBondContact CG-OE1 3.49Å; K134-E138 WeakPolarHBondContact O-CG 3.2Å; K134-E138 PolarHBondContact O-N 3.15Å; E135-E138 PolarHBondContact O-N 3.39Å; E138-T140 PolarHBondContact O-N 3.07Å; E138-T140 VanDerWaalsContact O-N 3.11Å; E138-A141 PolarHBondContact O-N 3.18Å
139R89.8Confident91.3Very high202 Ų20276.2 Ų76.276%0.76240%0.395SS*.THydrogen-bonded Turntrans-63.2-14.9172.6-73.1172.967.3-159.91.8114.3E135E135-R139 VanDerWaalsContact O-CG 3.26Å; E135-R139 WeakPolarHBondContact O-CG 3.38Å; E135-R139 PolarHBondContact O-N 2.81Å; E135-R139 VanDerWaalsContact O-N 3.14Å
140T79.8Confident90.9Very high64 Ų6479.4 Ų79.439%0.39341%0.407SS..THydrogen-bonded Turntrans-117.56.4-17760.40000113.1K118 F120 N136 L137 E138K118-T140 PolarHBondContact NZ-O 3.43Å; K118-T140 PolarHBondContact NZ-OG1 2.98Å; F120-T140 HydrophobicContact CE1-CG2 3.96Å; F120-T140 HydrophobicContact CZ-CG2 4.47Å; N136-T140 PolarHBondContact O-OG1 2.7Å; L137-T140 PolarHBondContact O-N 2.68Å; L137-T140 PolarHBondContact O-OG1 3.24Å; E138-T140 PolarHBondContact O-N 3.07Å; E138-T140 VanDerWaalsContact O-N 3.11Å
141A66.1Low90.4Very high139 Ų13979.9 Ų79.9100%1.14941%0.408SS*.  trans-830175.400000110.6L137 E138L137-A141 PolarHBondContact O-N 3.06Å; E138-A141 PolarHBondContact O-N 3.18Å

Retrieved 141 of 141 residues in 184.1 ms (Link to these results)

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