A0A096LYD3_POEFO Loading...

Vasodilator stimulated phosphoprotein a

AlphaFold DB , UniProt , Accession A0A096LYD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 231 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
1M56.9Low91.3Very high249 Ų24969.2 Ų69.2100%1.22737%0.371SS*.  0106.50-84.3-175.7-98.700107.6
2S79.4Confident91.9Very high53 Ų5365.8 Ų65.837%0.37135%0.354SS..  trans-106.36.4-176.754.50000113.5N41 A42 S43S2-N41 PolarHBondContact OG-OD1 3.43Å; S2-A42 PolarHBondContact O-N 3.43Å; S2-S43 PolarHBondContact OG-OG 3.13Å
3E88Confident92.4Very high88 Ų8860.9 Ų60.941%0.41133%0.328SS..EExtended strand (participates in β ladder)trans-90.5123177.6-71.4-167.8132.800111.1Y39 H40 N41 R48E3-Y39 HydrophobicContact CB-CD1 4.48Å; E3-H40 CarbonylContact C-O 3.53Å; E3-H40 VanDerWaalsContact CA-O 3.3Å; E3-H40 WeakPolarHBondContact CA-O 3.44Å; E3-N41 HydrophobicContact CG-CB 4.06Å; E3-R48 IonicContact OE1-CZ 3.21Å; E3-R48 IonicContact OE1-NE 2.84Å; E3-R48 PolarHBondContact OE1-NE 2.97Å; E3-R48 IonicContact OE1-NH2 2.87Å; E3-R48 PolarHBondContact OE1-NH2 3.1Å; E3-R48 IonicContact OE2-CZ 3.8Å; E3-R48 IonicContact OE2-NH2 2.74Å; E3-R48 PolarHBondContact OE2-NH2 3.4Å
4S95.1Very high92.8Very high57 Ų5758.1 Ų58.140%0.39931%0.313SS..EExtended strand (participates in β ladder)trans-113.7150.4172.162.80000110.3Y39 H40S4-Y39 CarbonylContact O-C 3.58Å; S4-Y39 VanDerWaalsContact O-CA 3.28Å; S4-Y39 WeakPolarHBondContact O-CA 3.37Å; S4-H40 PolarHBondContact N-O 2.87Å; S4-H40 PolarHBondContact O-N 2.74Å
5S96.4Very high93.1Very high53 Ų5356.5 Ų56.537%0.37130%0.304SS..EExtended strand (participates in β ladder)trans-92.6122.4174.7-167.90000108.8C7 Q37 I38S5-C7 PolarHBondContact OG-O 3.18Å; S5-Q37 PolarHBondContact OG-NE2 3.39Å; S5-I38 CarbonylContact C-O 3.56Å; S5-I38 WeakPolarHBondContact CA-O 3.41Å
6L97.1Very high93.4Very high58 Ų5857.3 Ų57.330%0.30430%0.302SS..EExtended strand (participates in β ladder)trans-75.2-41.4174-65.8-172.1000112I38 H40 F47L6-I38 HydrophobicContact CB-CB 4.39Å; L6-I38 HydrophobicContact CD1-CG2 4.05Å; L6-I38 HydrophobicContact CG-CG2 4.5Å; L6-I38 PolarHBondContact N-O 3.06Å; L6-H40 HydrophobicContact CD2-CB 4.33Å; L6-H40 HydrophobicContact CG-CB 4.34Å; L6-F47 HydrophobicContact CD1-CD1 3.91Å; L6-F47 HydrophobicContact CD1-CE1 3.72Å
7C98.1Very high93.6Very high8 Ų857 Ų575%0.05430%0.301CS..EExtended strand (participates in β ladder)trans-147.9163.1176.467.70000111.1S5 Q37 I38 L101 S105S5-C7 PolarHBondContact OG-O 3.18Å; C7-Q37 WeakPolarHBondContact O-CA 3.46Å; C7-I38 PolarHBondContact O-N 3.46Å; C7-L101 HydrophobicContact CB-CD2 4.49Å; C7-L101 HydrophobicContact CB-CG 4.17Å; C7-S105 WeakPolarHBondContact CB-OG 3.48Å
8A97.9Very high93.7Very high43 Ų4358.5 Ų58.536%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-142.4121.9171.600000108.9V36 Q37A8-V36 WeakPolarHBondContact CA-O 3.47Å; A8-Q37 HydrophobicContact CB-CG 3.75Å
9V98.6Very high93.9Very high4 Ų461.4 Ų61.42%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-137.2167-173-630000110.7R35 V36 F93 D98 L101 F102V9-R35 WeakPolarHBondContact O-CA 3.48Å; V9-V36 HydrophobicContact CG2-CB 4.1Å; V9-V36 PolarHBondContact N-O 2.89Å; V9-V36 PolarHBondContact O-N 3.02Å; V9-F93 HydrophobicContact CG2-CD1 4.35Å; V9-F93 HydrophobicContact CG2-CE1 3.87Å; V9-D98 HydrophobicContact CB-CB 4.08Å; V9-D98 HydrophobicContact CG1-CB 4.17Å; V9-D98 WeakPolarHBondContact CG1-O 3.48Å; V9-L101 HydrophobicContact CG1-CB 4.4Å; V9-L101 HydrophobicContact CG1-CD2 4.07Å; V9-L101 HydrophobicContact CG1-CG 4.34Å; V9-F102 HydrophobicContact CG1-CB 4.37Å; V9-F102 HydrophobicContact CG2-CB 4.18Å; V9-F102 HydrophobicContact CG2-CD2 3.79Å; V9-F102 HydrophobicContact CG2-CG 4.34Å
10R98.3Very high94Very high147 Ų14761.6 Ų61.656%0.55534%0.34SS*.EExtended strand (participates in β ladder)trans-107.4124.5176-65.1179.766.3-164.5-0.8110.8V33 S34 L54R10-V33 HydrophobicContact CB-CG1 4.03Å; R10-S34 WeakPolarHBondContact CA-O 3.36Å; R10-L54 HydrophobicContact CG-CD1 4.24Å
11A98.5Very high94.2Very high1 Ų165 Ų651%0.00835%0.352CS..EExtended strand (participates in β ladder)trans-151.8155.6177.300000112S34 V36 L91 N92 F93A11-S34 PolarHBondContact N-O 3.42Å; A11-S34 VanDerWaalsContact N-O 3.09Å; A11-S34 PolarHBondContact O-N 2.87Å; A11-V36 HydrophobicContact CB-CG2 4.19Å; A11-L91 HydrophobicContact CB-CB 4.25Å; A11-L91 HydrophobicContact CB-CD2 4.36Å; A11-N92 CarbonylContact C-O 3.44Å; A11-N92 VanDerWaalsContact CA-O 3.24Å; A11-N92 WeakPolarHBondContact CA-O 3.49Å; A11-N92 WeakPolarHBondContact CB-O 3.49Å; A11-F93 HydrophobicContact CB-CD1 3.8Å; A11-F93 HydrophobicContact CB-CE1 4.01Å; A11-F93 HydrophobicContact CB-CG 4.3Å
12T98.3Very high96.1Very high28 Ų2861 Ų6117%0.17232%0.323CS..EExtended strand (participates in β ladder)trans-84.2127.2163.9-55.70000108.5L14 L91 N92T12-L14 HydrophobicContact CG2-CD2 3.89Å; T12-L14 HydrophobicContact CG2-CG 4.45Å; T12-L91 WeakPolarHBondContact O-CA 3.43Å; T12-N92 PolarHBondContact N-O 2.9Å; T12-N92 PolarHBondContact O-N 3.41Å
13V98.3Very high97Very high3 Ų362 Ų622%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-89128.5177.8-173.30000109.1A26 V36 V61 L62 W89 L91V13-A26 HydrophobicContact CB-CB 3.95Å; V13-A26 HydrophobicContact CG1-CB 3.57Å; V13-A26 PolarHBondContact O-N 2.82Å; V13-V36 HydrophobicContact CG2-CG2 4.14Å; V13-V61 HydrophobicContact CB-CG2 4.24Å; V13-V61 HydrophobicContact CG2-CG2 3.95Å; V13-L62 HydrophobicContact CG1-CB 4.01Å; V13-L62 HydrophobicContact CG1-CD2 4.3Å; V13-L62 HydrophobicContact CG2-CB 4.41Å; V13-W89 HydrophobicContact CG1-CE3 3.89Å; V13-W89 HydrophobicContact CG1-CZ3 3.82Å; V13-L91 HydrophobicContact CB-CD2 4.27Å; V13-L91 HydrophobicContact CG1-CD2 4.28Å; V13-L91 HydrophobicContact CG2-CD2 3.83Å
14L98.4Very high97.4Very high21 Ų2160 Ų6011%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-124.6151.8-177.9-55.9176.5000110.5T12 W23 V24 F79 G90 N92T12-L14 HydrophobicContact CG2-CD2 3.89Å; T12-L14 HydrophobicContact CG2-CG 4.45Å; L14-W23 HydrophobicContact CB-CB 4.35Å; L14-W23 HydrophobicContact CB-CE3 3.79Å; L14-W23 HydrophobicContact CD1-CB 4.11Å; L14-V24 CarbonylContact C-O 3.58Å; L14-V24 VanDerWaalsContact CA-O 3.26Å; L14-V24 WeakPolarHBondContact CA-O 3.42Å; L14-F79 HydrophobicContact CD1-CE2 3.94Å; L14-G90 PolarHBondContact N-O 2.95Å; L14-G90 PolarHBondContact O-N 3.32Å; L14-N92 HydrophobicContact CD1-CB 4.32Å
15L97.8Very high97.5Very high35 Ų3558.7 Ų58.718%0.18330%0.302CS..EExtended strand (participates in β ladder)trans-118.7140.1170.6-72.2172.4000109.2D17 W23 V24 A26 Q87 V88 W89L15-D17 PolarHBondContact O-N 3.23Å; L15-W23 CarbonylContact O-C 3.6Å; L15-W23 WeakPolarHBondContact O-CA 3.29Å; L15-V24 HydrophobicContact CB-CG2 4.19Å; L15-V24 PolarHBondContact N-O 2.92Å; L15-V24 WeakPolarHBondContact O-CG2 3.22Å; L15-V24 PolarHBondContact O-N 2.89Å; L15-A26 HydrophobicContact CD1-CB 4.22Å; L15-A26 HydrophobicContact CG-CB 4.12Å; L15-Q87 HydrophobicContact CD2-CB 4.12Å; L15-Q87 VanDerWaalsContact CD2-CD 3.41Å; L15-Q87 HydrophobicContact CD2-CG 3.61Å; L15-V88 WeakPolarHBondContact CA-O 3.35Å; L15-W89 HydrophobicContact CD1-CZ3 4.44Å; L15-W89 HydrophobicContact CD2-CD2 3.74Å; L15-W89 HydrophobicContact CD2-CE3 3.33Å; L15-W89 HydrophobicContact CD2-CH2 3.88Å; L15-W89 HydrophobicContact CD2-CZ2 4.24Å; L15-W89 HydrophobicContact CD2-CZ3 3.41Å; L15-W89 VanDerWaalsContact CD2-CZ3 3.41Å; L15-W89 HydrophobicContact CG-CE3 4.17Å; L15-W89 HydrophobicContact CG-CZ3 3.97Å
16Y98Very high97.5Very high68 Ų6856.5 Ų56.527%0.26729%0.288SS..EExtended strand (participates in β ladder)trans-82.7116.1171.2-167.3-103.3000109.5D18 K21 W23 V88Y16-D18 WeakPolarHBondContact CE1-OD1 3.21Å; Y16-K21 HydrophobicContact CE1-CD 4.41Å; Y16-K21 WeakPolarHBondContact OH-CA 3.47Å; Y16-W23 HydrophobicContact CD2-CD2 4.02Å; Y16-W23 AromaticContact CD2-CE2 3.82Å; Y16-W23 HydrophobicContact CD2-CE3 4.48Å; Y16-W23 HydrophobicContact CD2-CG 4.36Å; Y16-W23 HydrophobicContact CD2-CZ2 4.16Å; Y16-V88 PolarHBondContact N-O 2.89Å
17D96.6Very high97Very high53 Ų5356.1 Ų56.128%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-87.1114.8170.6172.824.7000109.6L15 S19 S20 K21 R22 V24L15-D17 PolarHBondContact O-N 3.23Å; D17-S19 PolarHBondContact O-N 3.48Å; D17-S19 WeakPolarHBondContact OD1-CB 3.23Å; D17-S19 PolarHBondContact OD1-N 2.64Å; D17-S19 PolarHBondContact OD1-OG 3.14Å; D17-S20 WeakPolarHBondContact OD2-CB 3.47Å; D17-S20 PolarHBondContact OD2-N 2.78Å; D17-S20 VanDerWaalsContact OD2-N 3.14Å; D17-S20 PolarHBondContact OD2-OG 2.77Å; D17-K21 VanDerWaalsContact O-CA 3.3Å; D17-K21 WeakPolarHBondContact O-CA 3.24Å; D17-K21 PolarHBondContact O-N 3.14Å; D17-R22 PolarHBondContact N-O 2.75Å; D17-R22 PolarHBondContact O-N 3.38Å; D17-V24 HydrophobicContact CB-CG1 4.32Å; D17-V24 HydrophobicContact CB-CG2 4.3Å
18D95.2Very high96.4Very high84 Ų8457.5 Ų57.545%0.44931%0.308SS..THydrogen-bonded Turntrans-68.7-22.3179.8-82.3-50.6000113.4Y16 K21Y16-D18 WeakPolarHBondContact CE1-OD1 3.21Å; D18-K21 VanDerWaalsContact O-CD 3.32Å; D18-K21 WeakPolarHBondContact O-CD 3.43Å; D18-K21 WeakPolarHBondContact O-CE 3.4Å; D18-K21 PolarHBondContact O-NZ 2.8Å; D18-K21 IonicContact OD1-NZ 3.7Å
19S97.2Very high95.8Very high114 Ų11463.4 Ų63.480%0.79733%0.333SS*.THydrogen-bonded Turntrans-76.1-49-179.4-46.40000110.9D17D17-S19 PolarHBondContact O-N 3.48Å; D17-S19 WeakPolarHBondContact OD1-CB 3.23Å; D17-S19 PolarHBondContact OD1-N 2.64Å; D17-S19 PolarHBondContact OD1-OG 3.14Å
20S96.8Very high95.4Very high64 Ų6465.5 Ų65.545%0.44835%0.351SS..THydrogen-bonded Turntrans-90.4-2.9178.565.70000114.3D17 R22D17-S20 WeakPolarHBondContact OD2-CB 3.47Å; D17-S20 PolarHBondContact OD2-N 2.78Å; D17-S20 VanDerWaalsContact OD2-N 3.14Å; D17-S20 PolarHBondContact OD2-OG 2.77Å; S20-R22 PolarHBondContact O-N 3.48Å
21K97Very high95.2Very high133 Ų13363.2 Ų63.258%0.57835%0.354SS*.THydrogen-bonded Turntrans52.439.1-177.2-61.4-59.6-175.9-150.40112.9Y16 D17 D18Y16-K21 HydrophobicContact CE1-CD 4.41Å; Y16-K21 WeakPolarHBondContact OH-CA 3.47Å; D17-K21 VanDerWaalsContact O-CA 3.3Å; D17-K21 WeakPolarHBondContact O-CA 3.24Å; D17-K21 PolarHBondContact O-N 3.14Å; D18-K21 VanDerWaalsContact O-CD 3.32Å; D18-K21 WeakPolarHBondContact O-CD 3.43Å; D18-K21 WeakPolarHBondContact O-CE 3.4Å; D18-K21 PolarHBondContact O-NZ 2.8Å; D18-K21 IonicContact OD1-NZ 3.7Å
22R96.9Very high95Very high167 Ų16765.9 Ų65.963%0.6337%0.366SS*.EExtended strand (participates in β ladder)trans-137.9151.1-170.5151.6-178.8-69.2-147.5-0.9111.2D17 S20 V24D17-R22 PolarHBondContact N-O 2.75Å; D17-R22 PolarHBondContact O-N 3.38Å; S20-R22 PolarHBondContact O-N 3.48Å; R22-V24 HydrophobicContact CG-CG1 4.15Å
23W97.9Very high94.9Very high72 Ų7267.3 Ų67.327%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-75.3126164.7-65.6100.1000111.1L14 L15 Y16 F79 Q81 V88L14-W23 HydrophobicContact CB-CB 4.35Å; L14-W23 HydrophobicContact CB-CE3 3.79Å; L14-W23 HydrophobicContact CD1-CB 4.11Å; L15-W23 CarbonylContact O-C 3.6Å; L15-W23 WeakPolarHBondContact O-CA 3.29Å; Y16-W23 HydrophobicContact CD2-CD2 4.02Å; Y16-W23 AromaticContact CD2-CE2 3.82Å; Y16-W23 HydrophobicContact CD2-CE3 4.48Å; Y16-W23 HydrophobicContact CD2-CG 4.36Å; Y16-W23 HydrophobicContact CD2-CZ2 4.16Å; W23-F79 AromaticContact CD2-CZ 3.83Å; W23-F79 HydrophobicContact CD2-CZ 3.83Å; W23-F79 AromaticContact CE2-CE1 3.88Å; W23-F79 AromaticContact CE2-CZ 3.49Å; W23-F79 VanDerWaalsContact CE2-CZ 3.49Å; W23-F79 HydrophobicContact CE3-CZ 4.21Å; W23-F79 HydrophobicContact CG-CZ 4.43Å; W23-F79 AromaticContact CH2-CZ 3.93Å; W23-F79 HydrophobicContact CH2-CZ 3.93Å; W23-F79 AromaticContact CZ2-CE1 3.82Å; W23-F79 HydrophobicContact CZ2-CE1 3.82Å; W23-F79 AromaticContact CZ2-CZ 3.55Å; W23-F79 HydrophobicContact CZ2-CZ 3.55Å; W23-F79 HydrophobicContact CZ3-CZ 4.26Å; W23-F79 AromaticContact NE1-CE1 3.99Å; W23-F79 AromaticContact NE1-CZ 3.9Å; W23-Q81 HydrophobicContact CH2-CB 3.91Å; W23-Q81 HydrophobicContact CZ2-CB 4.32Å; W23-Q81 VanDerWaalsContact CZ2-OE1 3.24Å; W23-V88 HydrophobicContact CH2-CB 4.43Å; W23-V88 HydrophobicContact CH2-CG1 3.77Å; W23-V88 HydrophobicContact CZ3-CG1 4.4Å
24V97.4Very high94.9Very high47 Ų4767.3 Ų67.329%0.28537%0.374SS..EExtended strand (participates in β ladder)trans-117.4150.1175.9-62.70000110.5L14 L15 D17 R22L14-V24 CarbonylContact C-O 3.58Å; L14-V24 VanDerWaalsContact CA-O 3.26Å; L14-V24 WeakPolarHBondContact CA-O 3.42Å; L15-V24 HydrophobicContact CB-CG2 4.19Å; L15-V24 PolarHBondContact N-O 2.92Å; L15-V24 WeakPolarHBondContact O-CG2 3.22Å; L15-V24 PolarHBondContact O-N 2.89Å; D17-V24 HydrophobicContact CB-CG1 4.32Å; D17-V24 HydrophobicContact CB-CG2 4.3Å; R22-V24 HydrophobicContact CG-CG1 4.15Å
25P97.1Very high94.9Very high29 Ų2972.3 Ų72.319%0.18839%0.392CS..EExtended strand (participates in β ladder)trans-64.2140.6178.1-17.531.7000112S28 A30 T31P25-S28 WeakPolarHBondContact CB-O 3.2Å; P25-A30 WeakPolarHBondContact CB-O 3.3Å; P25-T31 HydrophobicContact CB-CG2 4.38Å; P25-T31 HydrophobicContact CG-CG2 3.63Å
26A95.6Very high94.9Very high7 Ų770.7 Ų70.76%0.05838%0.383CS..THydrogen-bonded Turntrans-78.4133.1179.400000111.8V13 L15 S28 V61 W89V13-A26 HydrophobicContact CB-CB 3.95Å; V13-A26 HydrophobicContact CG1-CB 3.57Å; V13-A26 PolarHBondContact O-N 2.82Å; L15-A26 HydrophobicContact CD1-CB 4.22Å; L15-A26 HydrophobicContact CG-CB 4.12Å; A26-S28 VanDerWaalsContact C-N 3.3Å; A26-S28 PolarHBondContact O-N 3.38Å; A26-V61 HydrophobicContact CB-CB 4.39Å; A26-W89 HydrophobicContact CB-CZ3 4.16Å
27G87.5Confident94.9Very high51 Ų5168.4 Ų68.453%0.52638%0.375SS..THydrogen-bonded Turntrans78.8-2171.400000116.6
28S84.7Confident95Very high37 Ų3765.9 Ų65.926%0.25936%0.361SS..SBendtrans-170162.9171.848.90000110.4P25 A26 A30 H32 K53P25-S28 WeakPolarHBondContact CB-O 3.2Å; A26-S28 VanDerWaalsContact C-N 3.3Å; A26-S28 PolarHBondContact O-N 3.38Å; S28-A30 PolarHBondContact O-N 3.09Å; S28-A30 PolarHBondContact OG-O 3.38Å; S28-H32 PolarHBondContact OG-CD2 3.44Å; S28-K53 PolarHBondContact OG-NZ 2.88Å
29D86.4Confident95.2Very high166 Ų16664.2 Ų64.289%0.88835%0.349SS*.SBendtrans-70.9-18.9177.5-52.8-52.8000113.5
30A90.4Very high95.2Very high48 Ų4860.3 Ų60.340%0.39732%0.319SS..SBendtrans-91.1141.4178.600000112.4P25 S28 H32P25-A30 WeakPolarHBondContact CB-O 3.3Å; S28-A30 PolarHBondContact O-N 3.09Å; S28-A30 PolarHBondContact OG-O 3.38Å; A30-H32 PolarHBondContact O-CD2 3.03Å; A30-H32 VanDerWaalsContact O-CD2 3.31Å
31T92.6Very high95.2Very high100 Ų10058.6 Ų58.661%0.61330%0.304SS*.  trans-71.9128.1173.652.90000110.9P25P25-T31 HydrophobicContact CB-CG2 4.38Å; P25-T31 HydrophobicContact CG-CG2 3.63Å
32H94.1Very high95Very high57 Ų5755.4 Ų55.426%0.26430%0.303SS..  trans-135.4141.1176.5-60.8-56.3000111.6S28 A30 K53 Q55S28-H32 PolarHBondContact OG-CD2 3.44Å; A30-H32 PolarHBondContact O-CD2 3.03Å; A30-H32 VanDerWaalsContact O-CD2 3.31Å; H32-K53 HydrophobicContact CB-CD 4.47Å; H32-K53 HydrophobicContact CB-CG 4.47Å; H32-Q55 PolarHBondContact CE1-NE2 3.34Å; H32-Q55 VanDerWaalsContact CG-NE2 3.29Å; H32-Q55 PolarHBondContact ND1-NE2 2.92Å; H32-Q55 PolarHBondContact NE2-NE2 2.86Å
33V96.8Very high94.8Very high58 Ų5851.5 Ų51.535%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-74.8133.4170.3-173.80000108.6R10 L54R10-V33 HydrophobicContact CB-CG1 4.03Å; V33-L54 HydrophobicContact CB-CD1 4.43Å; V33-L54 HydrophobicContact CG1-CD1 3.88Å; V33-L54 WeakPolarHBondContact O-CB 3.38Å; V33-L54 PolarHBondContact O-N 3.41Å
34S98.1Very high94.6Very high2 Ų252 Ų521%0.01431%0.312CS..EExtended strand (participates in β ladder)trans-116.4150.1177-61.60000110.4R10 A11 R52R10-S34 WeakPolarHBondContact CA-O 3.36Å; A11-S34 PolarHBondContact N-O 3.42Å; A11-S34 VanDerWaalsContact N-O 3.09Å; A11-S34 PolarHBondContact O-N 2.87Å; S34-R52 CarbonylContact C-O 3.57Å; S34-R52 WeakPolarHBondContact CA-O 3.42Å; S34-R52 VanDerWaalsContact CB-O 3.25Å; S34-R52 WeakPolarHBondContact CB-O 3.47Å
35R97.9Very high94.5Very high127 Ų12752.1 Ų52.148%0.47931%0.311SS..EExtended strand (participates in β ladder)trans-80.1114.7160.5-179.1176.5175.31631.7107.1V9 Q37 G51 R52 L54V9-R35 WeakPolarHBondContact O-CA 3.48Å; R35-Q37 HydrophobicContact CG-CG 4.28Å; R35-Q37 VanDerWaalsContact NE-OE1 3.09Å; R35-G51 WeakPolarHBondContact O-CA 3.41Å; R35-R52 PolarHBondContact N-O 2.85Å; R35-R52 PolarHBondContact O-N 2.97Å; R35-L54 HydrophobicContact CB-CD2 3.91Å; R35-L54 HydrophobicContact CB-CG 4.39Å
36V98.6Very high94.4Very high0 Ų054.1 Ų54.10%032%0.323CS..EExtended strand (participates in β ladder)trans-107.1131.2179.7-173.70000108.8A8 V9 A11 V13 V49 V50 L62 L91 F102A8-V36 WeakPolarHBondContact CA-O 3.47Å; V9-V36 HydrophobicContact CG2-CB 4.1Å; V9-V36 PolarHBondContact N-O 2.89Å; V9-V36 PolarHBondContact O-N 3.02Å; A11-V36 HydrophobicContact CB-CG2 4.19Å; V13-V36 HydrophobicContact CG2-CG2 4.14Å; V36-V49 HydrophobicContact CG1-CG1 3.58Å; V36-V50 CarbonylContact C-O 3.52Å; V36-V50 WeakPolarHBondContact CA-O 3.26Å; V36-L62 HydrophobicContact CG1-CD2 4.27Å; V36-L91 HydrophobicContact CG1-CD1 4.06Å; V36-L91 HydrophobicContact CG2-CD2 4.22Å; V36-F102 HydrophobicContact CG1-CD2 4.49Å; V36-F102 HydrophobicContact CG1-CE2 3.8Å; V36-F102 HydrophobicContact CG1-CZ 4.48Å
37Q98.6Very high94.6Very high20 Ų2054 Ų549%0.09332%0.321CS..EExtended strand (participates in β ladder)trans-132.6142.5-177-66.9-178.9-108.900110.3S5 C7 A8 R35 Y39 V49 V50S5-Q37 PolarHBondContact OG-NE2 3.39Å; C7-Q37 WeakPolarHBondContact O-CA 3.46Å; A8-Q37 HydrophobicContact CB-CG 3.75Å; R35-Q37 HydrophobicContact CG-CG 4.28Å; R35-Q37 VanDerWaalsContact NE-OE1 3.09Å; Q37-Y39 HydrophobicContact CB-CD2 4.12Å; Q37-Y39 HydrophobicContact CB-CE2 3.66Å; Q37-Y39 PolarHBondContact NE2-OH 3.39Å; Q37-Y39 PolarHBondContact OE1-OH 2.93Å; Q37-V49 CarbonylContact O-C 3.56Å; Q37-V49 WeakPolarHBondContact O-CA 3.49Å; Q37-V50 PolarHBondContact N-O 3.26Å; Q37-V50 PolarHBondContact O-N 3.49Å
38I98.6Very high95Very high0 Ų055.2 Ų55.20%031%0.31CS..EExtended strand (participates in β ladder)trans-97.7118.5165.1-57.9-177.2000107.2S5 L6 C7 R48 V49 I66 F102 M106S5-I38 CarbonylContact C-O 3.56Å; S5-I38 WeakPolarHBondContact CA-O 3.41Å; L6-I38 HydrophobicContact CB-CB 4.39Å; L6-I38 HydrophobicContact CD1-CG2 4.05Å; L6-I38 HydrophobicContact CG-CG2 4.5Å; L6-I38 PolarHBondContact N-O 3.06Å; C7-I38 PolarHBondContact O-N 3.46Å; I38-R48 CarbonylContact C-O 3.53Å; I38-R48 WeakPolarHBondContact CA-O 3.37Å; I38-V49 HydrophobicContact CG1-CG2 4.35Å; I38-I66 HydrophobicContact CD1-CD1 4.41Å; I38-I66 HydrophobicContact CG2-CD1 3.76Å; I38-F102 HydrophobicContact CD1-CD2 4.14Å; I38-F102 HydrophobicContact CD1-CE2 3.76Å; I38-F102 HydrophobicContact CD1-CZ 3.98Å; I38-F102 HydrophobicContact CG1-CD2 4.22Å; I38-F102 HydrophobicContact CG1-CE2 3.62Å; I38-F102 HydrophobicContact CG1-CZ 4.14Å; I38-M106 HydrophobicContact CD1-CB 4.03Å; I38-M106 HydrophobicContact CD1-SD 4.46Å
39Y98.4Very high95.7Very high49 Ų4953.5 Ų53.519%0.19230%0.298CS..EExtended strand (participates in β ladder)trans-98.4141174.5-73-83.2000110.5E3 S4 Q37 F47 R48 V50E3-Y39 HydrophobicContact CB-CD1 4.48Å; S4-Y39 CarbonylContact O-C 3.58Å; S4-Y39 VanDerWaalsContact O-CA 3.28Å; S4-Y39 WeakPolarHBondContact O-CA 3.37Å; Q37-Y39 HydrophobicContact CB-CD2 4.12Å; Q37-Y39 HydrophobicContact CB-CE2 3.66Å; Q37-Y39 PolarHBondContact NE2-OH 3.39Å; Q37-Y39 PolarHBondContact OE1-OH 2.93Å; Y39-F47 CarbonylContact O-C 3.57Å; Y39-F47 WeakPolarHBondContact O-CA 3.37Å; Y39-R48 PolarHBondContact N-O 3.45Å; Y39-R48 PolarHBondContact O-N 2.92Å; Y39-V50 HydrophobicContact CD2-CB 3.97Å; Y39-V50 HydrophobicContact CD2-CG2 3.76Å; Y39-V50 HydrophobicContact CE2-CB 3.91Å; Y39-V50 HydrophobicContact CE2-CG2 4.1Å
40H97.8Very high96.3Very high33 Ų3345.8 Ų45.815%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-114.7126.6169.7179.7-147.6000109.2E3 S4 L6 N45 F47E3-H40 CarbonylContact C-O 3.53Å; E3-H40 VanDerWaalsContact CA-O 3.3Å; E3-H40 WeakPolarHBondContact CA-O 3.44Å; S4-H40 PolarHBondContact N-O 2.87Å; S4-H40 PolarHBondContact O-N 2.74Å; L6-H40 HydrophobicContact CD2-CB 4.33Å; L6-H40 HydrophobicContact CG-CB 4.34Å; H40-N45 PolarHBondContact NE2-OD1 2.89Å; H40-N45 VanDerWaalsContact NE2-OD1 3.14Å; H40-F47 HydrophobicContact CB-CD1 3.62Å; H40-F47 HydrophobicContact CB-CE1 3.45Å; H40-F47 VanDerWaalsContact CB-CE1 3.45Å; H40-F47 HydrophobicContact CB-CZ 4.36Å; H40-F47 AromaticContact CD2-CD1 3.68Å; H40-F47 AromaticContact CD2-CE1 3.2Å; H40-F47 WeakPolarHBondContact CD2-CE1 3.35Å; H40-F47 AromaticContact CD2-CE2 3.7Å; H40-F47 AromaticContact CD2-CZ 3.22Å; H40-F47 WeakPolarHBondContact CD2-CZ 3.43Å; H40-F47 AromaticContact CE1-CZ 3.99Å; H40-F47 AromaticContact CG-CD1 3.85Å; H40-F47 AromaticContact CG-CE1 3.29Å; H40-F47 AromaticContact CG-CZ 3.72Å; H40-F47 AromaticContact ND1-CE1 3.99Å; H40-F47 AromaticContact NE2-CE1 3.84Å; H40-F47 AromaticContact NE2-CE2 3.89Å; H40-F47 AromaticContact NE2-CZ 3.42Å; H40-F47 WeakPolarHBondContact NE2-CZ 3.22Å
41N96.5Very high96.6Very high27 Ų2743.5 Ų43.514%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-99.3104.5165.8-173.7-14.4000108.4S2 E3 S43 T44 N45 T46S2-N41 PolarHBondContact OG-OD1 3.43Å; E3-N41 HydrophobicContact CG-CB 4.06Å; N41-S43 VanDerWaalsContact C-N 3.26Å; N41-S43 PolarHBondContact O-N 2.84Å; N41-S43 PolarHBondContact OD1-N 3.33Å; N41-S43 VanDerWaalsContact OD1-N 3.14Å; N41-S43 PolarHBondContact OD1-OG 3.14Å; N41-T44 WeakPolarHBondContact CB-OG1 3.3Å; N41-T44 VanDerWaalsContact CG-OG1 3.26Å; N41-T44 PolarHBondContact ND2-OG1 3.18Å; N41-T44 PolarHBondContact O-N 2.84Å; N41-N45 VanDerWaalsContact O-CA 3.24Å; N41-N45 WeakPolarHBondContact O-CA 3.38Å; N41-N45 PolarHBondContact O-N 2.94Å; N41-T46 PolarHBondContact N-O 3.41Å; N41-T46 PolarHBondContact O-N 3.14Å
42A92.8Very high96.9Very high66 Ų6643.5 Ų43.555%0.54523%0.227SC..THydrogen-bonded Turntrans-65.1-29.3-177.200000113S2 T44S2-A42 PolarHBondContact O-N 3.43Å; A42-T44 PolarHBondContact O-N 3.39Å
43S93.6Very high96.9Very high86 Ų8641.3 Ų41.360%0.60122%0.217SC*.THydrogen-bonded Turntrans-68.6-34.2-178670000113.3S2 N41S2-S43 PolarHBondContact OG-OG 3.13Å; N41-S43 VanDerWaalsContact C-N 3.26Å; N41-S43 PolarHBondContact O-N 2.84Å; N41-S43 PolarHBondContact OD1-N 3.33Å; N41-S43 VanDerWaalsContact OD1-N 3.14Å; N41-S43 PolarHBondContact OD1-OG 3.14Å
44T93.6Very high96.8Very high82 Ų8242.8 Ų42.850%0.50322%0.222SC..THydrogen-bonded Turntrans-108-0.7179.752.80000112.4N41 A42 T46N41-T44 WeakPolarHBondContact CB-OG1 3.3Å; N41-T44 VanDerWaalsContact CG-OG1 3.26Å; N41-T44 PolarHBondContact ND2-OG1 3.18Å; N41-T44 PolarHBondContact O-N 2.84Å; A42-T44 PolarHBondContact O-N 3.39Å; T44-T46 PolarHBondContact O-N 3.26Å; T44-T46 PolarHBondContact OG1-OG1 3.37Å
45N94.5Very high96.5Very high50 Ų5046.5 Ų46.527%0.26724%0.239SC..THydrogen-bonded Turntrans45.742.7-170.1-164.534.5000113.7H40 N41 S116H40-N45 PolarHBondContact NE2-OD1 2.89Å; H40-N45 VanDerWaalsContact NE2-OD1 3.14Å; N41-N45 VanDerWaalsContact O-CA 3.24Å; N41-N45 WeakPolarHBondContact O-CA 3.38Å; N41-N45 PolarHBondContact O-N 2.94Å; N45-S116 WeakPolarHBondContact ND2-CB 3.43Å
46T96.4Very high96.1Very high71 Ų7145.7 Ų45.744%0.43626%0.259SS..EExtended strand (participates in β ladder)trans-107.5145.3-179.856.10000111.1N41 T44N41-T46 PolarHBondContact N-O 3.41Å; N41-T46 PolarHBondContact O-N 3.14Å; T44-T46 PolarHBondContact O-N 3.26Å; T44-T46 PolarHBondContact OG1-OG1 3.37Å
47F98.1Very high95.7Very high5 Ų550.3 Ų50.32%0.02228%0.284CS..EExtended strand (participates in β ladder)trans-117.7148.6173.2-59.1-95.6000111.1L6 Y39 H40 I66 A109 V112 L113L6-F47 HydrophobicContact CD1-CD1 3.91Å; L6-F47 HydrophobicContact CD1-CE1 3.72Å; Y39-F47 CarbonylContact O-C 3.57Å; Y39-F47 WeakPolarHBondContact O-CA 3.37Å; H40-F47 HydrophobicContact CB-CD1 3.62Å; H40-F47 HydrophobicContact CB-CE1 3.45Å; H40-F47 VanDerWaalsContact CB-CE1 3.45Å; H40-F47 HydrophobicContact CB-CZ 4.36Å; H40-F47 AromaticContact CD2-CD1 3.68Å; H40-F47 AromaticContact CD2-CE1 3.2Å; H40-F47 WeakPolarHBondContact CD2-CE1 3.35Å; H40-F47 AromaticContact CD2-CE2 3.7Å; H40-F47 AromaticContact CD2-CZ 3.22Å; H40-F47 WeakPolarHBondContact CD2-CZ 3.43Å; H40-F47 AromaticContact CE1-CZ 3.99Å; H40-F47 AromaticContact CG-CD1 3.85Å; H40-F47 AromaticContact CG-CE1 3.29Å; H40-F47 AromaticContact CG-CZ 3.72Å; H40-F47 AromaticContact ND1-CE1 3.99Å; H40-F47 AromaticContact NE2-CE1 3.84Å; H40-F47 AromaticContact NE2-CE2 3.89Å; H40-F47 AromaticContact NE2-CZ 3.42Å; H40-F47 WeakPolarHBondContact NE2-CZ 3.22Å; F47-I66 HydrophobicContact CB-CB 4Å; F47-I66 HydrophobicContact CB-CD1 3.91Å; F47-I66 HydrophobicContact CB-CG1 4.31Å; F47-I66 PolarHBondContact O-N 2.89Å; F47-A109 HydrophobicContact CB-CB 4.15Å; F47-A109 HydrophobicContact CD1-CB 3.73Å; F47-A109 HydrophobicContact CD2-CB 4.13Å; F47-A109 HydrophobicContact CE1-CB 4.1Å; F47-A109 HydrophobicContact CE2-CB 4.47Å; F47-A109 HydrophobicContact CG-CB 3.74Å; F47-A109 HydrophobicContact CZ-CB 4.45Å; F47-V112 HydrophobicContact CE2-CB 4.06Å; F47-V112 HydrophobicContact CE2-CG1 3.85Å; F47-V112 HydrophobicContact CZ-CB 4.03Å; F47-V112 HydrophobicContact CZ-CG1 3.88Å; F47-V112 HydrophobicContact CZ-CG2 4.47Å; F47-L113 HydrophobicContact CD2-CD1 4.01Å; F47-L113 HydrophobicContact CD2-CD2 3.94Å; F47-L113 HydrophobicContact CD2-CG 3.79Å; F47-L113 HydrophobicContact CE2-CD2 4.23Å; F47-L113 HydrophobicContact CE2-CG 4.05Å
48R97.8Very high95.5Very high75 Ų7555.2 Ų55.228%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-145.1142.417561.3-178.3-179.7139.7-4.7111.9E3 I38 Y39 V50 C64E3-R48 IonicContact OE1-CZ 3.21Å; E3-R48 IonicContact OE1-NE 2.84Å; E3-R48 PolarHBondContact OE1-NE 2.97Å; E3-R48 IonicContact OE1-NH2 2.87Å; E3-R48 PolarHBondContact OE1-NH2 3.1Å; E3-R48 IonicContact OE2-CZ 3.8Å; E3-R48 IonicContact OE2-NH2 2.74Å; E3-R48 PolarHBondContact OE2-NH2 3.4Å; I38-R48 CarbonylContact C-O 3.53Å; I38-R48 WeakPolarHBondContact CA-O 3.37Å; Y39-R48 PolarHBondContact N-O 3.45Å; Y39-R48 PolarHBondContact O-N 2.92Å; R48-V50 HydrophobicContact CG-CG2 4.05Å; R48-C64 CarbonylContact C-O 3.55Å; R48-C64 VanDerWaalsContact CA-O 3.3Å; R48-C64 WeakPolarHBondContact CA-O 3.42Å
49V98.4Very high95.3Very high1 Ų159 Ų591%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-90.8125.3168.8-166.90000108.3V36 Q37 I38 L62 N63 C64 I66 W82 F102 M106V36-V49 HydrophobicContact CG1-CG1 3.58Å; Q37-V49 CarbonylContact O-C 3.56Å; Q37-V49 WeakPolarHBondContact O-CA 3.49Å; I38-V49 HydrophobicContact CG1-CG2 4.35Å; V49-L62 HydrophobicContact CB-CD2 4.24Å; V49-L62 HydrophobicContact CG1-CD2 3.55Å; V49-L62 HydrophobicContact CG1-CG 4.25Å; V49-N63 WeakPolarHBondContact O-CA 3.32Å; V49-C64 PolarHBondContact N-O 3.3Å; V49-C64 PolarHBondContact O-N 2.66Å; V49-I66 HydrophobicContact CG2-CD1 3.79Å; V49-I66 HydrophobicContact CG2-CG1 3.77Å; V49-W82 HydrophobicContact CB-CZ2 4.48Å; V49-W82 HydrophobicContact CG1-CH2 4.43Å; V49-W82 HydrophobicContact CG1-CZ2 4.45Å; V49-W82 HydrophobicContact CG2-CZ2 4.36Å; V49-F102 HydrophobicContact CG1-CE2 3.98Å; V49-F102 HydrophobicContact CG1-CZ 3.85Å; V49-F102 HydrophobicContact CG2-CZ 4.26Å; V49-M106 HydrophobicContact CG2-CE 4.1Å
50V98.3Very high95.3Very high5 Ų559.6 Ų59.63%0.0333%0.333CS..EExtended strand (participates in β ladder)trans-123.6124.7176.8-178.30000109.2V36 Q37 Y39 R48 R52 V60 L62V36-V50 CarbonylContact C-O 3.52Å; V36-V50 WeakPolarHBondContact CA-O 3.26Å; Q37-V50 PolarHBondContact N-O 3.26Å; Q37-V50 PolarHBondContact O-N 3.49Å; Y39-V50 HydrophobicContact CD2-CB 3.97Å; Y39-V50 HydrophobicContact CD2-CG2 3.76Å; Y39-V50 HydrophobicContact CE2-CB 3.91Å; Y39-V50 HydrophobicContact CE2-CG2 4.1Å; R48-V50 HydrophobicContact CG-CG2 4.05Å; V50-R52 HydrophobicContact CG1-CG 4.44Å; V50-V60 HydrophobicContact CG1-CG1 4.42Å; V50-L62 CarbonylContact C-O 3.52Å; V50-L62 VanDerWaalsContact CA-O 3.26Å; V50-L62 WeakPolarHBondContact CA-O 3.2Å
51G98Very high95.2Very high0 Ų058.8 Ų58.80%033%0.331CS..EExtended strand (participates in β ladder)trans-116123174.800000110.7R35 V60 V61 L62R35-G51 WeakPolarHBondContact O-CA 3.41Å; G51-V60 WeakPolarHBondContact O-CA 3.22Å; G51-V61 WeakPolarHBondContact O-CG2 3.45Å; G51-V61 PolarHBondContact O-N 3.28Å; G51-L62 PolarHBondContact N-O 2.98Å; G51-L62 PolarHBondContact O-N 3.35Å
52R97.6Very high95.3Very high100 Ų10057.5 Ų57.538%0.37732%0.324SS..EExtended strand (participates in β ladder)trans-115.3132.3174.4-68.8176-173.3-89.50.6110.1S34 R35 V50 L54 Q59 V60S34-R52 CarbonylContact C-O 3.57Å; S34-R52 WeakPolarHBondContact CA-O 3.42Å; S34-R52 VanDerWaalsContact CB-O 3.25Å; S34-R52 WeakPolarHBondContact CB-O 3.47Å; R35-R52 PolarHBondContact N-O 2.85Å; R35-R52 PolarHBondContact O-N 2.97Å; V50-R52 HydrophobicContact CG1-CG 4.44Å; R52-L54 PolarHBondContact O-N 3.27Å; R52-Q59 CarbonylContact C-O 3.6Å; R52-Q59 VanDerWaalsContact CA-O 3.3Å; R52-Q59 WeakPolarHBondContact CA-O 3.28Å; R52-V60 HydrophobicContact CG-CG2 3.98Å; R52-V60 VanDerWaalsContact CZ-CG2 3.47Å
53K95.9Very high95.5Very high11 Ų1158.9 Ų58.95%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-55.1137.7175.9-69-175.3-178.5175.10109.7S28 H32 Q55 Q59 V61S28-K53 PolarHBondContact OG-NZ 2.88Å; H32-K53 HydrophobicContact CB-CD 4.47Å; H32-K53 HydrophobicContact CB-CG 4.47Å; K53-Q55 HydrophobicContact CB-CB 4.4Å; K53-Q55 HydrophobicContact CB-CG 4.42Å; K53-Q55 PolarHBondContact O-N 2.8Å; K53-Q59 HydrophobicContact CD-CB 4.19Å; K53-Q59 HydrophobicContact CG-CB 4.45Å; K53-Q59 PolarHBondContact N-O 3.11Å; K53-V61 HydrophobicContact CD-CG1 4Å; K53-V61 HydrophobicContact CG-CG1 3.67Å; K53-V61 HydrophobicContact CG-CG2 4.41Å
54L94.6Very high95.7Very high88 Ų8854.9 Ų54.946%0.46129%0.294SS..SBendtrans-7961.5169.1-71.2174.3000109.8R10 V33 R35 R52R10-L54 HydrophobicContact CG-CD1 4.24Å; V33-L54 HydrophobicContact CB-CD1 4.43Å; V33-L54 HydrophobicContact CG1-CD1 3.88Å; V33-L54 WeakPolarHBondContact O-CB 3.38Å; V33-L54 PolarHBondContact O-N 3.41Å; R35-L54 HydrophobicContact CB-CD2 3.91Å; R35-L54 HydrophobicContact CB-CG 4.39Å; R52-L54 PolarHBondContact O-N 3.27Å
55Q90.8Very high95.8Very high80 Ų8054.8 Ų54.837%0.37430%0.295SS..SBendtrans-129.8170.6174.4-69.2-173.323.400109.1H32 K53 D57 Q58H32-Q55 PolarHBondContact CE1-NE2 3.34Å; H32-Q55 VanDerWaalsContact CG-NE2 3.29Å; H32-Q55 PolarHBondContact ND1-NE2 2.92Å; H32-Q55 PolarHBondContact NE2-NE2 2.86Å; K53-Q55 HydrophobicContact CB-CB 4.4Å; K53-Q55 HydrophobicContact CB-CG 4.42Å; K53-Q55 PolarHBondContact O-N 2.8Å; Q55-D57 WeakPolarHBondContact CB-OD1 3.35Å; Q55-D57 PolarHBondContact O-N 2.83Å; Q55-Q58 PolarHBondContact O-N 2.83Å; Q55-Q58 VanDerWaalsContact O-N 3.14Å
56A89.4Confident96Very high110 Ų11052.8 Ų52.891%0.90928%0.284SS*.THydrogen-bonded Turntrans-59.5-31.1-177.400000113.1
57D90.6Very high95.9Very high97 Ų9753 Ų5352%0.51929%0.285SS..THydrogen-bonded Turntrans-79.4-15.9-179.368.1-10.9000114.1Q55 Q59Q55-D57 WeakPolarHBondContact CB-OD1 3.35Å; Q55-D57 PolarHBondContact O-N 2.83Å; D57-Q59 PolarHBondContact O-N 2.95Å; D57-Q59 VanDerWaalsContact O-N 3.09Å; D57-Q59 PolarHBondContact OD1-N 3.02Å
58Q93.6Very high95.8Very high123 Ų12358.8 Ų58.858%0.57531%0.31SS*.  trans44.839.5-175.2-61.5-174.857.200113.8Q55 V60Q55-Q58 PolarHBondContact O-N 2.83Å; Q55-Q58 VanDerWaalsContact O-N 3.14Å; Q58-V60 PolarHBondContact O-N 3.43Å
59Q95.6Very high95.4Very high80 Ų8058.5 Ų58.537%0.37433%0.331SS..  trans-55.4130.9-177-171.6-170.617.300111.1R52 K53 D57 V61R52-Q59 CarbonylContact C-O 3.6Å; R52-Q59 VanDerWaalsContact CA-O 3.3Å; R52-Q59 WeakPolarHBondContact CA-O 3.28Å; K53-Q59 HydrophobicContact CD-CB 4.19Å; K53-Q59 HydrophobicContact CG-CB 4.45Å; K53-Q59 PolarHBondContact N-O 3.11Å; D57-Q59 PolarHBondContact O-N 2.95Å; D57-Q59 VanDerWaalsContact O-N 3.09Å; D57-Q59 PolarHBondContact OD1-N 3.02Å; Q59-V61 PolarHBondContact O-N 3.02Å
60V97.1Very high95.3Very high61 Ų6159.4 Ų59.437%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-74.4117.1172.9-177.30000109V50 G51 R52 Q58 L62 N63V50-V60 HydrophobicContact CG1-CG1 4.42Å; G51-V60 WeakPolarHBondContact O-CA 3.22Å; R52-V60 HydrophobicContact CG-CG2 3.98Å; R52-V60 VanDerWaalsContact CZ-CG2 3.47Å; Q58-V60 PolarHBondContact O-N 3.43Å; V60-L62 WeakPolarHBondContact CG1-O 3.3Å; V60-N63 HydrophobicContact CG1-CB 4.02Å
61V96.9Very high95.1Very high16 Ų1667.8 Ų67.810%0.09737%0.371CS..EExtended strand (participates in β ladder)trans-109.1-14.9177.8-69.50000113.2V13 A26 G51 K53 Q59V13-V61 HydrophobicContact CB-CG2 4.24Å; V13-V61 HydrophobicContact CG2-CG2 3.95Å; A26-V61 HydrophobicContact CB-CB 4.39Å; G51-V61 WeakPolarHBondContact O-CG2 3.45Å; G51-V61 PolarHBondContact O-N 3.28Å; K53-V61 HydrophobicContact CD-CG1 4Å; K53-V61 HydrophobicContact CG-CG1 3.67Å; K53-V61 HydrophobicContact CG-CG2 4.41Å; Q59-V61 PolarHBondContact O-N 3.02Å
62L97.6Very high95.1Very high1 Ų169.6 Ų69.61%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-139127.4176.6169.361.3000108.2V13 V36 V49 V50 G51 V60 C64 W82 W89 L91V13-L62 HydrophobicContact CG1-CB 4.01Å; V13-L62 HydrophobicContact CG1-CD2 4.3Å; V13-L62 HydrophobicContact CG2-CB 4.41Å; V36-L62 HydrophobicContact CG1-CD2 4.27Å; V49-L62 HydrophobicContact CB-CD2 4.24Å; V49-L62 HydrophobicContact CG1-CD2 3.55Å; V49-L62 HydrophobicContact CG1-CG 4.25Å; V50-L62 CarbonylContact C-O 3.52Å; V50-L62 VanDerWaalsContact CA-O 3.26Å; V50-L62 WeakPolarHBondContact CA-O 3.2Å; G51-L62 PolarHBondContact N-O 2.98Å; G51-L62 PolarHBondContact O-N 3.35Å; V60-L62 WeakPolarHBondContact CG1-O 3.3Å; L62-C64 HydrophobicContact CD1-CB 3.7Å; L62-W82 HydrophobicContact CD1-CZ2 4.29Å; L62-W82 HydrophobicContact CD2-CH2 4.2Å; L62-W82 HydrophobicContact CD2-CZ2 4.14Å; L62-W89 HydrophobicContact CB-CH2 4.49Å; L62-W89 HydrophobicContact CB-CZ3 4.28Å; L62-W89 HydrophobicContact CD1-CD2 3.61Å; L62-W89 HydrophobicContact CD1-CE3 3.65Å; L62-W89 HydrophobicContact CD1-CG 4.28Å; L62-W89 HydrophobicContact CD1-CH2 3.75Å; L62-W89 HydrophobicContact CD1-CZ2 3.7Å; L62-W89 HydrophobicContact CD1-CZ3 3.72Å; L62-L91 HydrophobicContact CD2-CD2 4.23Å
63N97.2Very high95.2Very high95 Ų9568.6 Ų68.651%0.50838%0.38SS..EExtended strand (participates in β ladder)trans-148.386.1169.3-176.324000107.6V49 V60V49-N63 WeakPolarHBondContact O-CA 3.32Å; V60-N63 HydrophobicContact CG1-CB 4.02Å
64C96.9Very high95.3Very high2 Ų273 Ų731%0.01440%0.401CS..EExtended strand (participates in β ladder)trans-119125.7-172.7-175.90000109.9R48 V49 L62R48-C64 CarbonylContact C-O 3.55Å; R48-C64 VanDerWaalsContact CA-O 3.3Å; R48-C64 WeakPolarHBondContact CA-O 3.42Å; V49-C64 PolarHBondContact N-O 3.3Å; V49-C64 PolarHBondContact O-N 2.66Å; L62-C64 HydrophobicContact CD1-CB 3.7Å
65P97.2Very high95.4Very high80 Ų8071 Ų7152%0.51940%0.397SS..EExtended strand (participates in β ladder)trans-65144.316929.1-33.4000110.2
66I97.2Very high95.8Very high7 Ų770.7 Ų70.74%0.03640%0.401CS..EExtended strand (participates in β ladder)trans-91.8119.9167.9-58.5173000106.4I38 F47 V49 M70 M106 A109 L110 L113I38-I66 HydrophobicContact CD1-CD1 4.41Å; I38-I66 HydrophobicContact CG2-CD1 3.76Å; F47-I66 HydrophobicContact CB-CB 4Å; F47-I66 HydrophobicContact CB-CD1 3.91Å; F47-I66 HydrophobicContact CB-CG1 4.31Å; F47-I66 PolarHBondContact O-N 2.89Å; V49-I66 HydrophobicContact CG2-CD1 3.79Å; V49-I66 HydrophobicContact CG2-CG1 3.77Å; I66-M70 HydrophobicContact CG1-CE 4.49Å; I66-M70 HydrophobicContact CG2-CE 4.01Å; I66-M106 HydrophobicContact CD1-SD 3.53Å; I66-M106 VanDerWaalsContact CD1-SD 3.53Å; I66-M106 HydrophobicContact CG1-SD 3.97Å; I66-M106 HydrophobicContact CG2-SD 4.21Å; I66-A109 HydrophobicContact CD1-CB 4.08Å; I66-L110 HydrophobicContact CG2-CD2 3.66Å; I66-L110 HydrophobicContact CG2-CG 4.2Å; I66-L113 HydrophobicContact CB-CD1 4.37Å; I66-L113 HydrophobicContact CG2-CD1 3.88Å; I66-L113 VanDerWaalsContact O-CD1 3.29Å; I66-L113 WeakPolarHBondContact O-CD1 3.37Å
67V95.6Very high96.2Very high77 Ų7768.2 Ų68.247%0.46738%0.381SS..  trans-108.2148.6-177.7-60.70000111G69 M70V67-G69 PolarHBondContact O-N 2.84Å; V67-M70 HydrophobicContact CG2-CB 3.89Å; V67-M70 WeakPolarHBondContact O-CB 3.27Å; V67-M70 PolarHBondContact O-N 2.9Å; V67-M70 VanDerWaalsContact O-N 3.09Å
68K94.6Very high96.5Very high126 Ų12665.6 Ų65.655%0.54837%0.368SS..THydrogen-bonded Turntrans-55.6134174.2-179.3176176.9163.10109.9M70 L113 S114K68-M70 PolarHBondContact O-N 2.86Å; K68-L113 HydrophobicContact CB-CB 4.3Å; K68-S114 PolarHBondContact NZ-O 2.93Å
69G90.9Very high96.8Very high69 Ų6961.1 Ų61.171%0.71135%0.347SS*.THydrogen-bonded Turntrans76.35.1-18000000114.8V67 K71V67-G69 PolarHBondContact O-N 2.84Å; G69-K71 PolarHBondContact O-N 3.14Å
70M94.8Very high96.9Very high20 Ų2057.4 Ų57.410%0.09933%0.329CS..  trans-58.9135.7170.6-174.9177.476.900110.4I66 V67 K68 Y72 W82 M106 L110I66-M70 HydrophobicContact CG1-CE 4.49Å; I66-M70 HydrophobicContact CG2-CE 4.01Å; V67-M70 HydrophobicContact CG2-CB 3.89Å; V67-M70 WeakPolarHBondContact O-CB 3.27Å; V67-M70 PolarHBondContact O-N 2.9Å; V67-M70 VanDerWaalsContact O-N 3.09Å; K68-M70 PolarHBondContact O-N 2.86Å; M70-Y72 PolarHBondContact O-N 2.94Å; M70-W82 HydrophobicContact CE-CB 4.21Å; M70-W82 HydrophobicContact CE-CG 4.03Å; M70-W82 HydrophobicContact CG-CB 4.43Å; M70-W82 HydrophobicContact SD-CB 4.25Å; M70-W82 HydrophobicContact SD-CG 4.03Å; M70-M106 HydrophobicContact CE-CE 3.4Å; M70-M106 HydrophobicContact CE-SD 3.83Å; M70-L110 HydrophobicContact CB-CD2 4.13Å
71K95.6Very high97Very high180 Ų18056.9 Ų56.978%0.78332%0.323SS*.  trans-87.2106.8176.9-67.6-171.9177.4-176.40110.2G69 W82G69-K71 PolarHBondContact O-N 3.14Å; K71-W82 WeakPolarHBondContact O-CA 3.47Å; K71-W82 WeakPolarHBondContact O-CB 3.26Å
72Y98.1Very high97.1Very high39 Ų3956.3 Ų56.315%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-92.7131168.8178-111.1000109.9M70 Q74 H80 W82 F102 A103 M106M70-Y72 PolarHBondContact O-N 2.94Å; Y72-Q74 HydrophobicContact CD1-CG 4.34Å; Y72-Q74 HydrophobicContact CE1-CG 3.55Å; Y72-H80 HydrophobicContact CE2-CB 3.85Å; Y72-H80 AromaticContact CZ-ND1 3.8Å; Y72-H80 PolarHBondContact OH-CE1 2.82Å; Y72-H80 PolarHBondContact OH-ND1 2.96Å; Y72-W82 HydrophobicContact CD2-CE3 4.2Å; Y72-W82 HydrophobicContact CE2-CE3 4.28Å; Y72-F102 HydrophobicContact CE2-CD1 4.44Å; Y72-F102 HydrophobicContact CE2-CE1 4.15Å; Y72-A103 HydrophobicContact CE1-CB 4.03Å; Y72-A103 VanDerWaalsContact OH-CA 3.31Å; Y72-A103 WeakPolarHBondContact OH-CA 3.37Å; Y72-A103 WeakPolarHBondContact OH-CB 3.44Å; Y72-M106 HydrophobicContact CD1-CG 4.15Å; Y72-M106 HydrophobicContact CD2-CE 3.84Å; Y72-M106 HydrophobicContact CD2-CG 3.72Å; Y72-M106 HydrophobicContact CE1-CB 4.47Å; Y72-M106 HydrophobicContact CE1-CG 4.37Å; Y72-M106 HydrophobicContact CE2-CB 4.42Å; Y72-M106 HydrophobicContact CE2-CE 4.2Å; Y72-M106 HydrophobicContact CE2-CG 3.97Å; Y72-M106 HydrophobicContact CG-CG 3.79Å
73N98.3Very high97Very high79 Ų7963.3 Ų63.342%0.42235%0.345SS..EExtended strand (participates in β ladder)trans-130120.4-178.1177.914.8000110.7A75 H80 Q81N73-A75 PolarHBondContact O-N 3.48Å; N73-H80 CarbonylContact O-C 3.49Å; N73-H80 WeakPolarHBondContact O-CA 3.49Å; N73-Q81 HydrophobicContact CB-CG 4.01Å; N73-Q81 PolarHBondContact N-O 3.32Å; N73-Q81 PolarHBondContact ND2-NE2 3.34Å; N73-Q81 VanDerWaalsContact ND2-NE2 3.19Å; N73-Q81 PolarHBondContact O-N 2.82Å
74Q98.4Very high96.8Very high102 Ų10260 Ų6048%0.47733%0.328SS..EExtended strand (participates in β ladder)trans-86.482.5171.9-61.8-179.880.700108.8Y72 T76 A103Y72-Q74 HydrophobicContact CD1-CG 4.34Å; Y72-Q74 HydrophobicContact CE1-CG 3.55Å; Q74-T76 VanDerWaalsContact C-N 3.29Å; Q74-T76 PolarHBondContact O-N 3.35Å; Q74-A103 HydrophobicContact CG-CB 4.47Å
75A97.6Very high96.5Very high46 Ų4666.6 Ų66.638%0.3837%0.371SS..EExtended strand (participates in β ladder)trans-64.7-33.1-173.700000112.8N73 F79 Q81N73-A75 PolarHBondContact O-N 3.48Å; A75-F79 HydrophobicContact CB-CD1 3.88Å; A75-F79 HydrophobicContact CB-CE1 4.39Å; A75-F79 PolarHBondContact N-O 3.31Å; A75-Q81 HydrophobicContact CB-CG 4.48Å
76T98.1Very high96.2Very high75 Ų7571.7 Ų71.746%0.4639%0.385SS..EExtended strand (participates in β ladder)trans-141.5176.416680.30000109.7Q74 T78 F79 H80Q74-T76 VanDerWaalsContact C-N 3.29Å; Q74-T76 PolarHBondContact O-N 3.35Å; T76-T78 PolarHBondContact O-N 3.07Å; T76-T78 VanDerWaalsContact O-N 3.11Å; T76-T78 PolarHBondContact OG1-N 2.56Å; T76-F79 HydrophobicContact CG2-CB 4.32Å; T76-F79 PolarHBondContact N-O 3.48Å; T76-F79 PolarHBondContact O-N 3.29Å; T76-F79 VanDerWaalsContact OG1-CB 3.27Å; T76-F79 WeakPolarHBondContact OG1-CB 3.22Å; T76-F79 PolarHBondContact OG1-N 3.49Å; T76-H80 PolarHBondContact O-CD2 3.41Å; T76-H80 PolarHBondContact O-NE2 2.87Å
77A97.6Very high96.1Very high58 Ų5874.2 Ų74.248%0.47940%0.396SS..THydrogen-bonded Turntrans-61.7-1617700000114.8K96 A99A77-K96 HydrophobicContact CB-CD 4.33Å; A77-K96 HydrophobicContact CB-CG 4.27Å; A77-A99 WeakPolarHBondContact O-CB 3.33Å
78T98.5Very high96.2Very high41 Ų4171 Ų7125%0.25238%0.377SS..THydrogen-bonded Turntrans-133.99.3178.760.10000112.5T76 N92 F93 K96T76-T78 PolarHBondContact O-N 3.07Å; T76-T78 VanDerWaalsContact O-N 3.11Å; T76-T78 PolarHBondContact OG1-N 2.56Å; T78-N92 WeakPolarHBondContact O-CA 3.38Å; T78-F93 WeakPolarHBondContact O-CD2 3.37Å; T78-F93 PolarHBondContact O-N 2.88Å; T78-K96 HydrophobicContact CG2-CG 3.87Å
79F98.8Very high96.4Very high30 Ų3065.7 Ų65.713%0.13235%0.353CS..EExtended strand (participates in β ladder)trans-131.9109.4177.6-175.5-111.8000110.8L14 W23 A75 T76 L91 N92L14-F79 HydrophobicContact CD1-CE2 3.94Å; W23-F79 AromaticContact CD2-CZ 3.83Å; W23-F79 HydrophobicContact CD2-CZ 3.83Å; W23-F79 AromaticContact CE2-CE1 3.88Å; W23-F79 AromaticContact CE2-CZ 3.49Å; W23-F79 VanDerWaalsContact CE2-CZ 3.49Å; W23-F79 HydrophobicContact CE3-CZ 4.21Å; W23-F79 HydrophobicContact CG-CZ 4.43Å; W23-F79 AromaticContact CH2-CZ 3.93Å; W23-F79 HydrophobicContact CH2-CZ 3.93Å; W23-F79 AromaticContact CZ2-CE1 3.82Å; W23-F79 HydrophobicContact CZ2-CE1 3.82Å; W23-F79 AromaticContact CZ2-CZ 3.55Å; W23-F79 HydrophobicContact CZ2-CZ 3.55Å; W23-F79 HydrophobicContact CZ3-CZ 4.26Å; W23-F79 AromaticContact NE1-CE1 3.99Å; W23-F79 AromaticContact NE1-CZ 3.9Å; A75-F79 HydrophobicContact CB-CD1 3.88Å; A75-F79 HydrophobicContact CB-CE1 4.39Å; A75-F79 PolarHBondContact N-O 3.31Å; T76-F79 HydrophobicContact CG2-CB 4.32Å; T76-F79 PolarHBondContact N-O 3.48Å; T76-F79 PolarHBondContact O-N 3.29Å; T76-F79 VanDerWaalsContact OG1-CB 3.27Å; T76-F79 WeakPolarHBondContact OG1-CB 3.22Å; T76-F79 PolarHBondContact OG1-N 3.49Å; F79-L91 WeakPolarHBondContact CA-O 3.42Å; F79-L91 VanDerWaalsContact CD2-O 3.27Å; F79-L91 WeakPolarHBondContact CD2-O 3.38Å; F79-N92 HydrophobicContact CD2-CB 4.11Å
80H98.8Very high96.8Very high1 Ų162.4 Ų62.41%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-116.8147.7-178.7-53.4164.5000110.2Y72 N73 T76 G90 L91 F93 A99Y72-H80 HydrophobicContact CE2-CB 3.85Å; Y72-H80 AromaticContact CZ-ND1 3.8Å; Y72-H80 PolarHBondContact OH-CE1 2.82Å; Y72-H80 PolarHBondContact OH-ND1 2.96Å; N73-H80 CarbonylContact O-C 3.49Å; N73-H80 WeakPolarHBondContact O-CA 3.49Å; T76-H80 PolarHBondContact O-CD2 3.41Å; T76-H80 PolarHBondContact O-NE2 2.87Å; H80-G90 CarbonylContact O-C 3.58Å; H80-G90 WeakPolarHBondContact O-CA 3.3Å; H80-L91 PolarHBondContact N-O 3.09Å; H80-L91 PolarHBondContact O-N 3.35Å; H80-F93 HydrophobicContact CB-CE2 3.89Å; H80-F93 AromaticContact CE1-CE2 3.98Å; H80-F93 AromaticContact CG-CE2 3.57Å; H80-F93 AromaticContact ND1-CE2 3.27Å; H80-F93 VanDerWaalsContact ND1-CE2 3.27Å; H80-F93 WeakPolarHBondContact ND1-CE2 3.32Å; H80-F93 AromaticContact ND1-CZ 3.82Å; H80-A99 PolarHBondContact CE1-O 3.05Å; H80-A99 VanDerWaalsContact CE1-O 3.23Å
81Q98.7Very high96.9Very high50 Ų5061.5 Ų61.523%0.23432%0.315CS..EExtended strand (participates in β ladder)trans-142.7154.9-177.861171.3-21.500112.2W23 N73 A75 W89W23-Q81 HydrophobicContact CH2-CB 3.91Å; W23-Q81 HydrophobicContact CZ2-CB 4.32Å; W23-Q81 VanDerWaalsContact CZ2-OE1 3.24Å; N73-Q81 HydrophobicContact CB-CG 4.01Å; N73-Q81 PolarHBondContact N-O 3.32Å; N73-Q81 PolarHBondContact ND2-NE2 3.34Å; N73-Q81 VanDerWaalsContact ND2-NE2 3.19Å; N73-Q81 PolarHBondContact O-N 2.82Å; A75-Q81 HydrophobicContact CB-CG 4.48Å; Q81-W89 CarbonylContact C-O 3.54Å; Q81-W89 WeakPolarHBondContact CA-O 3.38Å; Q81-W89 WeakPolarHBondContact CB-O 3.11Å
82W98.4Very high97.1Very high5 Ų556.4 Ų56.42%0.01930%0.296CS..EExtended strand (participates in β ladder)trans-150.9162.1170.763.394.1000109.8V49 L62 M70 K71 Y72 V88 W89 L91 F102 M106V49-W82 HydrophobicContact CB-CZ2 4.48Å; V49-W82 HydrophobicContact CG1-CH2 4.43Å; V49-W82 HydrophobicContact CG1-CZ2 4.45Å; V49-W82 HydrophobicContact CG2-CZ2 4.36Å; L62-W82 HydrophobicContact CD1-CZ2 4.29Å; L62-W82 HydrophobicContact CD2-CH2 4.2Å; L62-W82 HydrophobicContact CD2-CZ2 4.14Å; M70-W82 HydrophobicContact CE-CB 4.21Å; M70-W82 HydrophobicContact CE-CG 4.03Å; M70-W82 HydrophobicContact CG-CB 4.43Å; M70-W82 HydrophobicContact SD-CB 4.25Å; M70-W82 HydrophobicContact SD-CG 4.03Å; K71-W82 WeakPolarHBondContact O-CA 3.47Å; K71-W82 WeakPolarHBondContact O-CB 3.26Å; Y72-W82 HydrophobicContact CD2-CE3 4.2Å; Y72-W82 HydrophobicContact CE2-CE3 4.28Å; W82-V88 WeakPolarHBondContact O-CG1 3.47Å; W82-W89 HydrophobicContact CD2-CB 3.92Å; W82-W89 VanDerWaalsContact CE2-CB 3.46Å; W82-W89 AromaticContact CE2-CG 3.91Å; W82-W89 HydrophobicContact CE3-CB 4.43Å; W82-W89 HydrophobicContact CG-CB 4.39Å; W82-W89 HydrophobicContact CH2-CB 4.15Å; W82-W89 HydrophobicContact CZ2-CB 3.6Å; W82-W89 HydrophobicContact CZ2-CG 4.02Å; W82-W89 PolarHBondContact N-O 3.04Å; W82-W89 AromaticContact NE1-CD1 3.41Å; W82-W89 AromaticContact NE1-CG 3.76Å; W82-W89 PolarHBondContact O-N 2.94Å; W82-L91 HydrophobicContact CH2-CD1 3.58Å; W82-L91 HydrophobicContact CH2-CD2 4.27Å; W82-L91 HydrophobicContact CH2-CG 3.62Å; W82-L91 HydrophobicContact CZ3-CD1 3.68Å; W82-L91 HydrophobicContact CZ3-CG 3.69Å; W82-F102 HydrophobicContact CH2-CZ 4.32Å; W82-F102 HydrophobicContact CZ3-CE1 4.17Å; W82-F102 HydrophobicContact CZ3-CZ 4.39Å; W82-M106 HydrophobicContact CD2-CE 3.98Å; W82-M106 HydrophobicContact CE3-CE 4.02Å; W82-M106 HydrophobicContact CG-CE 4.4Å; W82-M106 HydrophobicContact CZ3-CE 4.39Å
83R96.4Very high97.1Very high147 Ų14754.8 Ų54.856%0.55529%0.29SS*.EExtended strand (participates in β ladder)trans-111.3132.1178.2179.1175.1-70.2-85.96.8110V88R83-V88 HydrophobicContact CG-CG2 4.39Å
84D91.9Very high96.9Very high27 Ų2754.5 Ų54.514%0.14431%0.305CS..  trans-105.8175.3162.580.217.4000109.6K86 Q87 W89D84-K86 PolarHBondContact O-N 3.03Å; D84-K86 VanDerWaalsContact O-N 3.14Å; D84-K86 WeakPolarHBondContact OD1-CA 3.42Å; D84-K86 WeakPolarHBondContact OD1-CB 3.39Å; D84-K86 PolarHBondContact OD1-N 2.84Å; D84-Q87 PolarHBondContact N-O 2.88Å; D84-Q87 PolarHBondContact OD1-N 3.37Å; D84-W89 PolarHBondContact OD2-NE1 2.86Å
85P90.1Very high96.9Very high140 Ų14052.4 Ų52.491%0.90930%0.297SS*.SBendtrans-61.8-18.1-179.7-26.336.2000115.3
86K91Very high96.9Very high187 Ų18756.5 Ų56.581%0.81331%0.307SS*.SBendtrans-102-36.4-173.7-63.6179.9179174.40112.2D84D84-K86 PolarHBondContact O-N 3.03Å; D84-K86 VanDerWaalsContact O-N 3.14Å; D84-K86 WeakPolarHBondContact OD1-CA 3.42Å; D84-K86 WeakPolarHBondContact OD1-CB 3.39Å; D84-K86 PolarHBondContact OD1-N 2.84Å
87Q95.9Very high96.9Very high59 Ų5959.4 Ų59.428%0.27632%0.315SS..  trans-161.5172.8-170.565.1-152.1-39.500112.9L15 D84 W89L15-Q87 HydrophobicContact CD2-CB 4.12Å; L15-Q87 VanDerWaalsContact CD2-CD 3.41Å; L15-Q87 HydrophobicContact CD2-CG 3.61Å; D84-Q87 PolarHBondContact N-O 2.88Å; D84-Q87 PolarHBondContact OD1-N 3.37Å; Q87-W89 HydrophobicContact CG-CD2 4.32Å; Q87-W89 HydrophobicContact CG-CZ2 4.1Å
88V97.8Very high97Very high11 Ų1158.2 Ų58.27%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-105.5124.8170.8-166.40000108.8L15 Y16 W23 W82 R83L15-V88 WeakPolarHBondContact CA-O 3.35Å; Y16-V88 PolarHBondContact N-O 2.89Å; W23-V88 HydrophobicContact CH2-CB 4.43Å; W23-V88 HydrophobicContact CH2-CG1 3.77Å; W23-V88 HydrophobicContact CZ3-CG1 4.4Å; W82-V88 WeakPolarHBondContact O-CG1 3.47Å; R83-V88 HydrophobicContact CG-CG2 4.39Å
89W98.5Very high97Very high14 Ų1456.3 Ų56.35%0.05329%0.289CS..EExtended strand (participates in β ladder)trans-93.9140.8176.7-66.9103.2000110.4V13 L15 A26 L62 Q81 W82 D84 Q87V13-W89 HydrophobicContact CG1-CE3 3.89Å; V13-W89 HydrophobicContact CG1-CZ3 3.82Å; L15-W89 HydrophobicContact CD1-CZ3 4.44Å; L15-W89 HydrophobicContact CD2-CD2 3.74Å; L15-W89 HydrophobicContact CD2-CE3 3.33Å; L15-W89 HydrophobicContact CD2-CH2 3.88Å; L15-W89 HydrophobicContact CD2-CZ2 4.24Å; L15-W89 HydrophobicContact CD2-CZ3 3.41Å; L15-W89 VanDerWaalsContact CD2-CZ3 3.41Å; L15-W89 HydrophobicContact CG-CE3 4.17Å; L15-W89 HydrophobicContact CG-CZ3 3.97Å; A26-W89 HydrophobicContact CB-CZ3 4.16Å; L62-W89 HydrophobicContact CB-CH2 4.49Å; L62-W89 HydrophobicContact CB-CZ3 4.28Å; L62-W89 HydrophobicContact CD1-CD2 3.61Å; L62-W89 HydrophobicContact CD1-CE3 3.65Å; L62-W89 HydrophobicContact CD1-CG 4.28Å; L62-W89 HydrophobicContact CD1-CH2 3.75Å; L62-W89 HydrophobicContact CD1-CZ2 3.7Å; L62-W89 HydrophobicContact CD1-CZ3 3.72Å; Q81-W89 CarbonylContact C-O 3.54Å; Q81-W89 WeakPolarHBondContact CA-O 3.38Å; Q81-W89 WeakPolarHBondContact CB-O 3.11Å; W82-W89 HydrophobicContact CD2-CB 3.92Å; W82-W89 VanDerWaalsContact CE2-CB 3.46Å; W82-W89 AromaticContact CE2-CG 3.91Å; W82-W89 HydrophobicContact CE3-CB 4.43Å; W82-W89 HydrophobicContact CG-CB 4.39Å; W82-W89 HydrophobicContact CH2-CB 4.15Å; W82-W89 HydrophobicContact CZ2-CB 3.6Å; W82-W89 HydrophobicContact CZ2-CG 4.02Å; W82-W89 PolarHBondContact N-O 3.04Å; W82-W89 AromaticContact NE1-CD1 3.41Å; W82-W89 AromaticContact NE1-CG 3.76Å; W82-W89 PolarHBondContact O-N 2.94Å; D84-W89 PolarHBondContact OD2-NE1 2.86Å; Q87-W89 HydrophobicContact CG-CD2 4.32Å; Q87-W89 HydrophobicContact CG-CZ2 4.1Å
90G98.4Very high96.9Very high0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-128.9140.9171.600000110.1L14 H80L14-G90 PolarHBondContact N-O 2.95Å; L14-G90 PolarHBondContact O-N 3.32Å; H80-G90 CarbonylContact O-C 3.58Å; H80-G90 WeakPolarHBondContact O-CA 3.3Å
91L98.8Very high96.9Very high0 Ų060.8 Ų60.80%032%0.32CS..EExtended strand (participates in β ladder)trans-121.4122.1171.4-67-176000108.9A11 T12 V13 V36 L62 F79 H80 W82 F93 F102A11-L91 HydrophobicContact CB-CB 4.25Å; A11-L91 HydrophobicContact CB-CD2 4.36Å; T12-L91 WeakPolarHBondContact O-CA 3.43Å; V13-L91 HydrophobicContact CB-CD2 4.27Å; V13-L91 HydrophobicContact CG1-CD2 4.28Å; V13-L91 HydrophobicContact CG2-CD2 3.83Å; V36-L91 HydrophobicContact CG1-CD1 4.06Å; V36-L91 HydrophobicContact CG2-CD2 4.22Å; L62-L91 HydrophobicContact CD2-CD2 4.23Å; F79-L91 WeakPolarHBondContact CA-O 3.42Å; F79-L91 VanDerWaalsContact CD2-O 3.27Å; F79-L91 WeakPolarHBondContact CD2-O 3.38Å; H80-L91 PolarHBondContact N-O 3.09Å; H80-L91 PolarHBondContact O-N 3.35Å; W82-L91 HydrophobicContact CH2-CD1 3.58Å; W82-L91 HydrophobicContact CH2-CD2 4.27Å; W82-L91 HydrophobicContact CH2-CG 3.62Å; W82-L91 HydrophobicContact CZ3-CD1 3.68Å; W82-L91 HydrophobicContact CZ3-CG 3.69Å; L91-F93 HydrophobicContact CB-CD2 4.43Å; L91-F93 HydrophobicContact CB-CE1 4.39Å; L91-F93 HydrophobicContact CB-CE2 3.67Å; L91-F93 HydrophobicContact CB-CZ 3.65Å; L91-F93 HydrophobicContact CD1-CE1 4.23Å; L91-F93 HydrophobicContact CD1-CE2 4.5Å; L91-F93 HydrophobicContact CD1-CZ 3.69Å; L91-F93 HydrophobicContact CG-CZ 4.35Å; L91-F102 HydrophobicContact CD1-CD1 4.22Å; L91-F102 HydrophobicContact CD1-CD2 4.48Å; L91-F102 HydrophobicContact CD1-CE1 3.69Å; L91-F102 HydrophobicContact CD1-CE2 3.99Å; L91-F102 HydrophobicContact CD1-CZ 3.56Å
92N98.6Very high96.9Very high73 Ų7358.4 Ų58.439%0.3931%0.309SS..EExtended strand (participates in β ladder)trans-103.2107.9171.4-171.7-9.8000109.4A11 T12 L14 T78 F79A11-N92 CarbonylContact C-O 3.44Å; A11-N92 VanDerWaalsContact CA-O 3.24Å; A11-N92 WeakPolarHBondContact CA-O 3.49Å; A11-N92 WeakPolarHBondContact CB-O 3.49Å; T12-N92 PolarHBondContact N-O 2.9Å; T12-N92 PolarHBondContact O-N 3.41Å; L14-N92 HydrophobicContact CD1-CB 4.32Å; T78-N92 WeakPolarHBondContact O-CA 3.38Å; F79-N92 HydrophobicContact CD2-CB 4.11Å
93F98.7Very high97Very high6 Ų658.2 Ų58.23%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-83.5146.8-176.2-59.9-87.4000111.3V9 A11 T78 H80 L91 N95 D98 A99 F102V9-F93 HydrophobicContact CG2-CD1 4.35Å; V9-F93 HydrophobicContact CG2-CE1 3.87Å; A11-F93 HydrophobicContact CB-CD1 3.8Å; A11-F93 HydrophobicContact CB-CE1 4.01Å; A11-F93 HydrophobicContact CB-CG 4.3Å; T78-F93 WeakPolarHBondContact O-CD2 3.37Å; T78-F93 PolarHBondContact O-N 2.88Å; H80-F93 HydrophobicContact CB-CE2 3.89Å; H80-F93 AromaticContact CE1-CE2 3.98Å; H80-F93 AromaticContact CG-CE2 3.57Å; H80-F93 AromaticContact ND1-CE2 3.27Å; H80-F93 VanDerWaalsContact ND1-CE2 3.27Å; H80-F93 WeakPolarHBondContact ND1-CE2 3.32Å; H80-F93 AromaticContact ND1-CZ 3.82Å; L91-F93 HydrophobicContact CB-CD2 4.43Å; L91-F93 HydrophobicContact CB-CE1 4.39Å; L91-F93 HydrophobicContact CB-CE2 3.67Å; L91-F93 HydrophobicContact CB-CZ 3.65Å; L91-F93 HydrophobicContact CD1-CE1 4.23Å; L91-F93 HydrophobicContact CD1-CE2 4.5Å; L91-F93 HydrophobicContact CD1-CZ 3.69Å; L91-F93 HydrophobicContact CG-CZ 4.35Å; F93-N95 VanDerWaalsContact C-N 3.28Å; F93-N95 PolarHBondContact O-N 2.94Å; F93-D98 HydrophobicContact CD1-CB 4.32Å; F93-A99 HydrophobicContact CB-CB 3.87Å; F93-A99 HydrophobicContact CD1-CB 4.3Å; F93-A99 HydrophobicContact CD2-CB 3.58Å; F93-A99 HydrophobicContact CE2-CB 4.23Å; F93-A99 HydrophobicContact CG-CB 3.64Å; F93-F102 HydrophobicContact CE1-CB 3.71Å; F93-F102 HydrophobicContact CE1-CD1 4.3Å; F93-F102 HydrophobicContact CE1-CD2 4.41Å; F93-F102 AromaticContact CE1-CG 3.89Å; F93-F102 HydrophobicContact CE1-CG 3.89Å; F93-F102 HydrophobicContact CZ-CB 3.84Å; F93-F102 AromaticContact CZ-CD1 3.69Å; F93-F102 HydrophobicContact CZ-CD1 3.69Å; F93-F102 HydrophobicContact CZ-CE1 4.41Å; F93-F102 AromaticContact CZ-CG 3.76Å; F93-F102 HydrophobicContact CZ-CG 3.76Å
94G94.4Very high97.1Very high72 Ų7256.6 Ų56.674%0.74231%0.311SS*.SBendtrans-72.1-21.7178.500000114
95N97.4Very high97.4Very high58 Ų5856 Ų5631%0.3131%0.309SS..SBendtrans-153.4168.1-177.961.868.9000110.3F93 E97 D98 A99F93-N95 VanDerWaalsContact C-N 3.28Å; F93-N95 PolarHBondContact O-N 2.94Å; N95-E97 WeakPolarHBondContact CB-OE2 3.49Å; N95-E97 PolarHBondContact OD1-N 2.89Å; N95-E97 PolarHBondContact OD1-OE2 3.24Å; N95-D98 PolarHBondContact ND2-OD2 3.22Å; N95-D98 VanDerWaalsContact OD1-CB 3.25Å; N95-D98 WeakPolarHBondContact OD1-CB 3.4Å; N95-D98 PolarHBondContact OD1-N 3Å; N95-A99 PolarHBondContact O-N 2.82Å
96K98Very high97.8Very high133 Ų13349.3 Ų49.358%0.57827%0.266SS*.Hα-helixtrans-77-29.8-175.6-67.3-177.9-179.7179.40112A77 T78 A99 A100A77-K96 HydrophobicContact CB-CD 4.33Å; A77-K96 HydrophobicContact CB-CG 4.27Å; T78-K96 HydrophobicContact CG2-CG 3.87Å; K96-A99 PolarHBondContact O-N 3.33Å; K96-A100 WeakPolarHBondContact O-CB 3.46Å; K96-A100 PolarHBondContact O-N 2.89Å
97E98.4Very high98.1Very high135 Ų13543 Ų4363%0.63124%0.243SC*.Hα-helixtrans-66.4-46.9-177.1-63.267.3-147.400110.5N95 A99 A100 L101N95-E97 WeakPolarHBondContact CB-OE2 3.49Å; N95-E97 PolarHBondContact OD1-N 2.89Å; N95-E97 PolarHBondContact OD1-OE2 3.24Å; E97-A99 VanDerWaalsContact C-N 3.34Å; E97-A100 PolarHBondContact O-N 2.98Å; E97-L101 WeakPolarHBondContact O-CB 3.48Å; E97-L101 PolarHBondContact O-N 2.87Å
98D98.4Very high98.1Very high34 Ų3444.4 Ų44.418%0.18225%0.249CC..Hα-helixtrans-61.7-42.4173.3-80.4-21.8000111.2V9 F93 N95 L101 F102V9-D98 HydrophobicContact CB-CB 4.08Å; V9-D98 HydrophobicContact CG1-CB 4.17Å; V9-D98 WeakPolarHBondContact CG1-O 3.48Å; F93-D98 HydrophobicContact CD1-CB 4.32Å; N95-D98 PolarHBondContact ND2-OD2 3.22Å; N95-D98 VanDerWaalsContact OD1-CB 3.25Å; N95-D98 WeakPolarHBondContact OD1-CB 3.4Å; N95-D98 PolarHBondContact OD1-N 3Å; D98-L101 PolarHBondContact O-N 3.14Å; D98-F102 WeakPolarHBondContact O-CB 3.46Å; D98-F102 PolarHBondContact O-N 2.93Å
99A98.6Very high98.1Very high1 Ų143.9 Ų43.91%0.00825%0.246CC..Hα-helixtrans-62-4817800000111A77 H80 F93 N95 K96 E97 F102 A103A77-A99 WeakPolarHBondContact O-CB 3.33Å; H80-A99 PolarHBondContact CE1-O 3.05Å; H80-A99 VanDerWaalsContact CE1-O 3.23Å; F93-A99 HydrophobicContact CB-CB 3.87Å; F93-A99 HydrophobicContact CD1-CB 4.3Å; F93-A99 HydrophobicContact CD2-CB 3.58Å; F93-A99 HydrophobicContact CE2-CB 4.23Å; F93-A99 HydrophobicContact CG-CB 3.64Å; N95-A99 PolarHBondContact O-N 2.82Å; K96-A99 PolarHBondContact O-N 3.33Å; E97-A99 VanDerWaalsContact C-N 3.34Å; A99-F102 PolarHBondContact O-N 3.39Å; A99-A103 WeakPolarHBondContact O-CB 3.5Å; A99-A103 PolarHBondContact O-N 3.47Å
100A98.6Very high98Very high45 Ų4544.8 Ų44.837%0.37225%0.252SS..Hα-helixtrans-63.1-43.717800000111.9K96 E97 F102 A103 N104K96-A100 WeakPolarHBondContact O-CB 3.46Å; K96-A100 PolarHBondContact O-N 2.89Å; E97-A100 PolarHBondContact O-N 2.98Å; A100-F102 VanDerWaalsContact C-N 3.33Å; A100-F102 PolarHBondContact O-N 3.22Å; A100-A103 PolarHBondContact O-N 3.34Å; A100-N104 WeakPolarHBondContact O-CB 3.27Å; A100-N104 PolarHBondContact O-N 2.99Å; A100-N104 PolarHBondContact O-ND2 2.92Å
101L98.7Very high97.9Very high79 Ų7950.2 Ų50.241%0.41428%0.277SS..Hα-helixtrans-59.7-44176.2178.861000111.7C7 V9 E97 D98 S105C7-L101 HydrophobicContact CB-CD2 4.49Å; C7-L101 HydrophobicContact CB-CG 4.17Å; V9-L101 HydrophobicContact CG1-CB 4.4Å; V9-L101 HydrophobicContact CG1-CD2 4.07Å; V9-L101 HydrophobicContact CG1-CG 4.34Å; E97-L101 WeakPolarHBondContact O-CB 3.48Å; E97-L101 PolarHBondContact O-N 2.87Å; D98-L101 PolarHBondContact O-N 3.14Å; L101-S105 PolarHBondContact O-N 3.43Å; L101-S105 VanDerWaalsContact O-N 3.16Å; L101-S105 PolarHBondContact O-OG 2.8Å; L101-S105 VanDerWaalsContact O-OG 3.09Å
102F98.8Very high97.7Very high0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-63.9-45.1176.1-172.9-92.2000111.7V9 V36 I38 V49 Y72 W82 L91 F93 D98 A99 A100 N104 S105 M106V9-F102 HydrophobicContact CG1-CB 4.37Å; V9-F102 HydrophobicContact CG2-CB 4.18Å; V9-F102 HydrophobicContact CG2-CD2 3.79Å; V9-F102 HydrophobicContact CG2-CG 4.34Å; V36-F102 HydrophobicContact CG1-CD2 4.49Å; V36-F102 HydrophobicContact CG1-CE2 3.8Å; V36-F102 HydrophobicContact CG1-CZ 4.48Å; I38-F102 HydrophobicContact CD1-CD2 4.14Å; I38-F102 HydrophobicContact CD1-CE2 3.76Å; I38-F102 HydrophobicContact CD1-CZ 3.98Å; I38-F102 HydrophobicContact CG1-CD2 4.22Å; I38-F102 HydrophobicContact CG1-CE2 3.62Å; I38-F102 HydrophobicContact CG1-CZ 4.14Å; V49-F102 HydrophobicContact CG1-CE2 3.98Å; V49-F102 HydrophobicContact CG1-CZ 3.85Å; V49-F102 HydrophobicContact CG2-CZ 4.26Å; Y72-F102 HydrophobicContact CE2-CD1 4.44Å; Y72-F102 HydrophobicContact CE2-CE1 4.15Å; W82-F102 HydrophobicContact CH2-CZ 4.32Å; W82-F102 HydrophobicContact CZ3-CE1 4.17Å; W82-F102 HydrophobicContact CZ3-CZ 4.39Å; L91-F102 HydrophobicContact CD1-CD1 4.22Å; L91-F102 HydrophobicContact CD1-CD2 4.48Å; L91-F102 HydrophobicContact CD1-CE1 3.69Å; L91-F102 HydrophobicContact CD1-CE2 3.99Å; L91-F102 HydrophobicContact CD1-CZ 3.56Å; F93-F102 HydrophobicContact CE1-CB 3.71Å; F93-F102 HydrophobicContact CE1-CD1 4.3Å; F93-F102 HydrophobicContact CE1-CD2 4.41Å; F93-F102 AromaticContact CE1-CG 3.89Å; F93-F102 HydrophobicContact CE1-CG 3.89Å; F93-F102 HydrophobicContact CZ-CB 3.84Å; F93-F102 AromaticContact CZ-CD1 3.69Å; F93-F102 HydrophobicContact CZ-CD1 3.69Å; F93-F102 HydrophobicContact CZ-CE1 4.41Å; F93-F102 AromaticContact CZ-CG 3.76Å; F93-F102 HydrophobicContact CZ-CG 3.76Å; D98-F102 WeakPolarHBondContact O-CB 3.46Å; D98-F102 PolarHBondContact O-N 2.93Å; A99-F102 PolarHBondContact O-N 3.39Å; A100-F102 VanDerWaalsContact C-N 3.33Å; A100-F102 PolarHBondContact O-N 3.22Å; F102-N104 PolarHBondContact O-N 3.02Å; F102-S105 PolarHBondContact O-N 3.36Å; F102-M106 HydrophobicContact CE1-CB 4.45Å; F102-M106 HydrophobicContact CE1-CE 4.25Å; F102-M106 HydrophobicContact CZ-CE 4.42Å; F102-M106 WeakPolarHBondContact O-CB 3.38Å; F102-M106 PolarHBondContact O-N 3.34Å
103A98.7Very high97.5Very high2 Ų249.8 Ų49.82%0.01728%0.276CS..Hα-helixtrans-59.8-46.4178.400000112Y72 Q74 A99 A100 S105 M106 T107Y72-A103 HydrophobicContact CE1-CB 4.03Å; Y72-A103 VanDerWaalsContact OH-CA 3.31Å; Y72-A103 WeakPolarHBondContact OH-CA 3.37Å; Y72-A103 WeakPolarHBondContact OH-CB 3.44Å; Q74-A103 HydrophobicContact CG-CB 4.47Å; A99-A103 WeakPolarHBondContact O-CB 3.5Å; A99-A103 PolarHBondContact O-N 3.47Å; A100-A103 PolarHBondContact O-N 3.34Å; A103-S105 VanDerWaalsContact C-N 3.31Å; A103-S105 PolarHBondContact O-N 2.94Å; A103-M106 PolarHBondContact O-N 3.26Å; A103-T107 WeakPolarHBondContact O-CB 3.41Å; A103-T107 PolarHBondContact O-N 3.19Å; A103-T107 PolarHBondContact O-OG1 2.99Å; A103-T107 VanDerWaalsContact O-OG1 3.04Å
104N98.6Very high97.1Very high112 Ų11252.5 Ų52.560%0.59930%0.296SS*.Hα-helixtrans-59.4-43.1177.8-67.5-17.6000111.5A100 F102 H108A100-N104 WeakPolarHBondContact O-CB 3.27Å; A100-N104 PolarHBondContact O-N 2.99Å; A100-N104 PolarHBondContact O-ND2 2.92Å; F102-N104 PolarHBondContact O-N 3.02Å; N104-H108 WeakPolarHBondContact O-CB 3.35Å; N104-H108 PolarHBondContact O-N 3.41Å
105S98.5Very high96.3Very high15 Ų1551.6 Ų51.611%0.10529%0.286CS..Hα-helixtrans-69.1-37.5178.4-62.10000112.9C7 L101 F102 A103 A109C7-S105 WeakPolarHBondContact CB-OG 3.48Å; L101-S105 PolarHBondContact O-N 3.43Å; L101-S105 VanDerWaalsContact O-N 3.16Å; L101-S105 PolarHBondContact O-OG 2.8Å; L101-S105 VanDerWaalsContact O-OG 3.09Å; F102-S105 PolarHBondContact O-N 3.36Å; A103-S105 VanDerWaalsContact C-N 3.31Å; A103-S105 PolarHBondContact O-N 2.94Å; S105-A109 WeakPolarHBondContact O-CB 3.41Å; S105-A109 PolarHBondContact O-N 3.21Å
106M98.3Very high94.6Very high0 Ų052.4 Ų52.40%030%0.297CS..Hα-helixtrans-66-46.1175.9-176.867.9115.400111.2I38 V49 I66 M70 Y72 W82 F102 A103 A109 L110I38-M106 HydrophobicContact CD1-CB 4.03Å; I38-M106 HydrophobicContact CD1-SD 4.46Å; V49-M106 HydrophobicContact CG2-CE 4.1Å; I66-M106 HydrophobicContact CD1-SD 3.53Å; I66-M106 VanDerWaalsContact CD1-SD 3.53Å; I66-M106 HydrophobicContact CG1-SD 3.97Å; I66-M106 HydrophobicContact CG2-SD 4.21Å; M70-M106 HydrophobicContact CE-CE 3.4Å; M70-M106 HydrophobicContact CE-SD 3.83Å; Y72-M106 HydrophobicContact CD1-CG 4.15Å; Y72-M106 HydrophobicContact CD2-CE 3.84Å; Y72-M106 HydrophobicContact CD2-CG 3.72Å; Y72-M106 HydrophobicContact CE1-CB 4.47Å; Y72-M106 HydrophobicContact CE1-CG 4.37Å; Y72-M106 HydrophobicContact CE2-CB 4.42Å; Y72-M106 HydrophobicContact CE2-CE 4.2Å; Y72-M106 HydrophobicContact CE2-CG 3.97Å; Y72-M106 HydrophobicContact CG-CG 3.79Å; W82-M106 HydrophobicContact CD2-CE 3.98Å; W82-M106 HydrophobicContact CE3-CE 4.02Å; W82-M106 HydrophobicContact CG-CE 4.4Å; W82-M106 HydrophobicContact CZ3-CE 4.39Å; F102-M106 HydrophobicContact CE1-CB 4.45Å; F102-M106 HydrophobicContact CE1-CE 4.25Å; F102-M106 HydrophobicContact CZ-CE 4.42Å; F102-M106 WeakPolarHBondContact O-CB 3.38Å; F102-M106 PolarHBondContact O-N 3.34Å; A103-M106 PolarHBondContact O-N 3.26Å; M106-A109 PolarHBondContact O-N 3.29Å; M106-L110 HydrophobicContact CG-CD1 4.3Å; M106-L110 WeakPolarHBondContact O-CG 3.31Å; M106-L110 PolarHBondContact O-N 3.4Å
107T97.6Very high92.5Very high54 Ų5448.2 Ų48.233%0.33129%0.292SS..Hα-helixtrans-59.5-48.7175.9-60.10000110.9A103 A109 L110 E111A103-T107 WeakPolarHBondContact O-CB 3.41Å; A103-T107 PolarHBondContact O-N 3.19Å; A103-T107 PolarHBondContact O-OG1 2.99Å; A103-T107 VanDerWaalsContact O-OG1 3.04Å; T107-A109 VanDerWaalsContact C-N 3.33Å; T107-A109 PolarHBondContact O-N 3.31Å; T107-L110 PolarHBondContact O-N 2.94Å; T107-L110 VanDerWaalsContact O-N 3.11Å; T107-E111 HydrophobicContact CG2-CG 4.41Å; T107-E111 WeakPolarHBondContact CG2-OE1 3.45Å; T107-E111 WeakPolarHBondContact O-CG 3.42Å; T107-E111 PolarHBondContact O-N 2.94Å
108H97.3Very high89.9Confident89 Ų8947.1 Ų47.141%0.41230%0.299SS..Hα-helixtrans-56.7-44.7176.1174.5-102.1000112.3N104 L110 E111 V112N104-H108 WeakPolarHBondContact O-CB 3.35Å; N104-H108 PolarHBondContact O-N 3.41Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 PolarHBondContact O-N 2.79Å; H108-E111 PolarHBondContact O-N 3.02Å; H108-V112 WeakPolarHBondContact O-CG2 3.27Å; H108-V112 PolarHBondContact O-N 2.83Å
109A97.4Very high87.2Confident0 Ų050.7 Ų50.70%033%0.333CS..Hα-helixtrans-60.4-43176.300000112.2F47 I66 S105 M106 T107 L113F47-A109 HydrophobicContact CB-CB 4.15Å; F47-A109 HydrophobicContact CD1-CB 3.73Å; F47-A109 HydrophobicContact CD2-CB 4.13Å; F47-A109 HydrophobicContact CE1-CB 4.1Å; F47-A109 HydrophobicContact CE2-CB 4.47Å; F47-A109 HydrophobicContact CG-CB 3.74Å; F47-A109 HydrophobicContact CZ-CB 4.45Å; I66-A109 HydrophobicContact CD1-CB 4.08Å; S105-A109 WeakPolarHBondContact O-CB 3.41Å; S105-A109 PolarHBondContact O-N 3.21Å; M106-A109 PolarHBondContact O-N 3.29Å; T107-A109 VanDerWaalsContact C-N 3.33Å; T107-A109 PolarHBondContact O-N 3.31Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 VanDerWaalsContact O-CG 3.23Å; A109-L113 WeakPolarHBondContact O-CG 3.25Å; A109-L113 PolarHBondContact O-N 3.38Å
110L96.6Very high84.7Confident32 Ų3253.8 Ų53.817%0.16837%0.365CS..Hα-helixtrans-65.9-38.5177.5-69169.4000112.3I66 M70 M106 T107 H108 L113 S114I66-L110 HydrophobicContact CG2-CD2 3.66Å; I66-L110 HydrophobicContact CG2-CG 4.2Å; M70-L110 HydrophobicContact CB-CD2 4.13Å; M106-L110 HydrophobicContact CG-CD1 4.3Å; M106-L110 WeakPolarHBondContact O-CG 3.31Å; M106-L110 PolarHBondContact O-N 3.4Å; T107-L110 PolarHBondContact O-N 2.94Å; T107-L110 VanDerWaalsContact O-N 3.11Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 PolarHBondContact O-N 2.79Å; L110-L113 PolarHBondContact O-N 3.11Å; L110-S114 WeakPolarHBondContact O-CB 3.5Å; L110-S114 PolarHBondContact O-N 2.8Å
111E95Very high82Confident114 Ų11457.1 Ų57.153%0.53339%0.385SS..Hα-helixtrans-63.4-48.7175.6-73.7171.3175.400111.5T107 H108 L113 S114 G115T107-E111 HydrophobicContact CG2-CG 4.41Å; T107-E111 WeakPolarHBondContact CG2-OE1 3.45Å; T107-E111 WeakPolarHBondContact O-CG 3.42Å; T107-E111 PolarHBondContact O-N 2.94Å; H108-E111 PolarHBondContact O-N 3.02Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.04Å; E111-S114 WeakPolarHBondContact O-CA 3.15Å; E111-S114 WeakPolarHBondContact O-CB 3.46Å; E111-S114 PolarHBondContact O-N 3.49Å; E111-S114 PolarHBondContact O-OG 2.79Å; E111-G115 PolarHBondContact O-N 2.72Å
112V94.8Very high79.8Confident46 Ų4658.3 Ų58.328%0.27941%0.407SS..Hα-helixtrans-59.1-44.1176.7173.20000111.1F47 H108 S114 G115 S116F47-V112 HydrophobicContact CE2-CB 4.06Å; F47-V112 HydrophobicContact CE2-CG1 3.85Å; F47-V112 HydrophobicContact CZ-CB 4.03Å; F47-V112 HydrophobicContact CZ-CG1 3.88Å; F47-V112 HydrophobicContact CZ-CG2 4.47Å; H108-V112 WeakPolarHBondContact O-CG2 3.27Å; H108-V112 PolarHBondContact O-N 2.83Å; V112-S114 VanDerWaalsContact C-N 3.29Å; V112-S114 PolarHBondContact O-N 3.23Å; V112-G115 PolarHBondContact O-N 3.35Å; V112-S116 WeakPolarHBondContact O-CB 3.46Å; V112-S116 PolarHBondContact O-N 2.94Å
113L94.5Very high77.5Confident18 Ų1864.9 Ų64.99%0.09444%0.442CS..Hα-helixtrans-63.9-35.1175.3-70.2171.5000111.9F47 I66 K68 A109 L110 E111 S116F47-L113 HydrophobicContact CD2-CD1 4.01Å; F47-L113 HydrophobicContact CD2-CD2 3.94Å; F47-L113 HydrophobicContact CD2-CG 3.79Å; F47-L113 HydrophobicContact CE2-CD2 4.23Å; F47-L113 HydrophobicContact CE2-CG 4.05Å; I66-L113 HydrophobicContact CB-CD1 4.37Å; I66-L113 HydrophobicContact CG2-CD1 3.88Å; I66-L113 VanDerWaalsContact O-CD1 3.29Å; I66-L113 WeakPolarHBondContact O-CD1 3.37Å; K68-L113 HydrophobicContact CB-CB 4.3Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 VanDerWaalsContact O-CG 3.23Å; A109-L113 WeakPolarHBondContact O-CG 3.25Å; A109-L113 PolarHBondContact O-N 3.38Å; L110-L113 PolarHBondContact O-N 3.11Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 3.04Å; L113-S116 PolarHBondContact O-OG 3.44Å
114S90.4Very high75.2Confident64 Ų6471.9 Ų71.945%0.44848%0.479SS..Hα-helixtrans-67.7-43.5176.9810000112.6K68 L110 E111 V112K68-S114 PolarHBondContact NZ-O 2.93Å; L110-S114 WeakPolarHBondContact O-CB 3.5Å; L110-S114 PolarHBondContact O-N 2.8Å; E111-S114 WeakPolarHBondContact O-CA 3.15Å; E111-S114 WeakPolarHBondContact O-CB 3.46Å; E111-S114 PolarHBondContact O-N 3.49Å; E111-S114 PolarHBondContact O-OG 2.79Å; V112-S114 VanDerWaalsContact C-N 3.29Å; V112-S114 PolarHBondContact O-N 3.23Å
115G78.5Confident73.3Confident52 Ų5269.2 Ų69.254%0.53648%0.478SS..Hα-helixtrans-76.4-22-178.100000114.6E111 V112 G117 S118E111-G115 PolarHBondContact O-N 2.72Å; V112-G115 PolarHBondContact O-N 3.35Å; G115-G117 PolarHBondContact O-N 2.94Å; G115-S118 PolarHBondContact O-N 2.81Å
116S61Low71Confident76 Ų7673.5 Ų73.553%0.53151%0.506SS..THydrogen-bonded Turntrans-66.23.6174.969.50000115.2N45 V112 L113N45-S116 WeakPolarHBondContact ND2-CB 3.43Å; V112-S116 WeakPolarHBondContact O-CB 3.46Å; V112-S116 PolarHBondContact O-N 2.94Å; L113-S116 PolarHBondContact O-OG 3.44Å
117G53.1Low69.3Low45 Ų4576.4 Ų76.446%0.46453%0.526SS..THydrogen-bonded Turntrans-11417.2178.600000115.8G115G115-G117 PolarHBondContact O-N 2.94Å
118S44.3Very low67.8Low112 Ų11279.2 Ų79.278%0.78355%0.545SS*.  trans-125.267.4-179.4-164.90000114G115G115-S118 PolarHBondContact O-N 2.81Å
119A41.8Very low66.6Low108 Ų10882 Ų8289%0.89356%0.558SS**SBendtrans-130.784.2135.200000106.9
120G45.7Very low65.5Low67 Ų6787.1 Ų87.169%0.69158%0.582SS**SBendtrans93.383169.300000116.4
121S42.3Very low64.5Low114 Ų11492.5 Ų92.580%0.79761%0.605SS**  174.3121.2125.7-81.20000110.4N123S121-N123 PolarHBondContact O-N 2.87Å
122A53.2Low63.8Low104 Ų10493.7 Ų93.786%0.8661%0.61SS**  trans-59.2126159.800000109.4
123N49.2Very low63.4Low139 Ų13997.3 Ų97.374%0.74362%0.624SS**  trans-165.1104.7149.2-147.614.8000112.7S121S121-N123 PolarHBondContact O-N 2.87Å
124N51Low62.9Low148 Ų148102 Ų10279%0.79165%0.645SS**  trans51.172.1147.9-61.5-20.9000119.7
125G57.9Low62.8Low57 Ų57104.8 Ų104.859%0.58865%0.649SS**PPolyproline II helixtrans-82.5155.1143.400000110.3S127G125-S127 PolarHBondContact O-N 3.09Å; G125-S127 VanDerWaalsContact O-N 3.13Å
126P51.2Low63.3Low105 Ų105110.7 Ų110.768%0.68266%0.656SS**PPolyproline II helixtrans-53.7123.7177.423.1-32.9000109.3Q130P126-Q130 HydrophobicContact CB-CB 4.04Å
127S61.4Low64.6Low61 Ų61112.1 Ų112.143%0.42766%0.657SS.*PPolyproline II helixtrans-57.9155.2-172-49.30000110.3G125 Q129 Q130 F131G125-S127 PolarHBondContact O-N 3.09Å; G125-S127 VanDerWaalsContact O-N 3.13Å; S127-Q129 PolarHBondContact O-N 2.91Å; S127-Q130 WeakPolarHBondContact O-CB 3.42Å; S127-Q130 PolarHBondContact O-N 3.28Å; S127-F131 PolarHBondContact O-N 2.97Å
128P67Low66.3Low112 Ų112116 Ų11673%0.72766%0.662SS**Hα-helixtrans-47.7-31.8175.6-27.633.6000113.4Q130 F131 E132P128-Q130 PolarHBondContact O-N 3.49Å; P128-F131 PolarHBondContact O-N 3.43Å; P128-E132 PolarHBondContact O-N 3.38Å; P128-E132 VanDerWaalsContact O-N 3.1Å
129Q71.8Confident68.5Low148 Ų148118 Ų11869%0.69265%0.653SS**Hα-helixtrans-60-39.7173.4-67.4-177.9-25.100114S127 F131 E132 E133S127-Q129 PolarHBondContact O-N 2.91Å; Q129-F131 VanDerWaalsContact C-N 3.33Å; Q129-E132 PolarHBondContact O-N 3.16Å; Q129-E133 WeakPolarHBondContact O-CB 3.49Å; Q129-E133 PolarHBondContact O-N 2.91Å
130Q74.9Confident70.7Confident107 Ų107118.5 Ų118.550%0.564%0.637SS.*Hα-helixtrans-70.7-31.1177.7-71.1-173.3-48.500112P126 S127 P128 E133 Q134P126-Q130 HydrophobicContact CB-CB 4.04Å; S127-Q130 WeakPolarHBondContact O-CB 3.42Å; S127-Q130 PolarHBondContact O-N 3.28Å; P128-Q130 PolarHBondContact O-N 3.49Å; Q130-E133 PolarHBondContact O-N 3.25Å; Q130-Q134 WeakPolarHBondContact O-CB 3.44Å; Q130-Q134 PolarHBondContact O-N 3.34Å
131F75.4Confident72.9Confident146 Ų146121.8 Ų121.864%0.6463%0.632SS**Hα-helixtrans-70.3-39.7174.7-161.3-95000111.4S127 P128 Q129 E133 K135S127-F131 PolarHBondContact O-N 2.97Å; P128-F131 PolarHBondContact O-N 3.43Å; Q129-F131 VanDerWaalsContact C-N 3.33Å; F131-E133 VanDerWaalsContact C-N 3.35Å; F131-K135 VanDerWaalsContact O-CB 3.27Å; F131-K135 WeakPolarHBondContact O-CB 3.33Å; F131-K135 PolarHBondContact O-N 2.92Å
132E81Confident75Confident139 Ų139122.4 Ų122.465%0.6562%0.623SS**Hα-helixtrans-63.4-40.2172.2-73.4-173.8144.400112.2P128 Q129 K135 R136P128-E132 PolarHBondContact O-N 3.38Å; P128-E132 VanDerWaalsContact O-N 3.1Å; Q129-E132 PolarHBondContact O-N 3.16Å; E132-K135 PolarHBondContact O-N 3.48Å; E132-R136 WeakPolarHBondContact O-CB 3.46Å; E132-R136 PolarHBondContact O-N 3.42Å
133E85.1Confident76.7Confident121 Ų121123.1 Ų123.157%0.56561%0.608SS**Hα-helixtrans-67.2-44.8177.6-170.7156.4-151.800112Q129 Q130 F131 K135 R136 L137Q129-E133 WeakPolarHBondContact O-CB 3.49Å; Q129-E133 PolarHBondContact O-N 2.91Å; Q130-E133 PolarHBondContact O-N 3.25Å; F131-E133 VanDerWaalsContact C-N 3.35Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.09Å; E133-R136 WeakPolarHBondContact O-CB 3.33Å; E133-R136 PolarHBondContact O-N 2.97Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-L137 HydrophobicContact CG-CD1 4.09Å; E133-L137 WeakPolarHBondContact O-CD1 3.27Å; E133-L137 PolarHBondContact O-N 3.31Å
134Q84.1Confident78.5Confident116 Ų116123 Ų12354%0.54260%0.603SS.*Hα-helixtrans-60.4-41.8174.2-172.7173.8-8.200111.6Q130 R136 L137 E138Q130-Q134 WeakPolarHBondContact O-CB 3.44Å; Q130-Q134 PolarHBondContact O-N 3.34Å; Q134-R136 VanDerWaalsContact C-N 3.33Å; Q134-R136 PolarHBondContact O-N 3.32Å; Q134-L137 PolarHBondContact O-N 2.92Å; Q134-E138 PolarHBondContact O-N 3.38Å
135K88.5Confident80.2Confident123 Ų123120.2 Ų120.254%0.53559%0.588SS.*Hα-helixtrans-66.9-33.4176.1-165.5173.9-170.6-175.90112.5F131 E132 E133 R139F131-K135 VanDerWaalsContact O-CB 3.27Å; F131-K135 WeakPolarHBondContact O-CB 3.33Å; F131-K135 PolarHBondContact O-N 2.92Å; E132-K135 PolarHBondContact O-N 3.48Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.09Å; K135-R139 WeakPolarHBondContact O-CB 3.5Å; K135-R139 PolarHBondContact O-N 2.96Å; K135-R139 VanDerWaalsContact O-N 3.07Å
136R88.3Confident81.5Confident177 Ų177123.4 Ų123.467%0.66859%0.587SS**Hα-helixtrans-68.5-42.5173.6-178.7-178.1-89.2149.7-5.7111.1E132 E133 Q134 R139 Q140E132-R136 WeakPolarHBondContact O-CB 3.46Å; E132-R136 PolarHBondContact O-N 3.42Å; E133-R136 WeakPolarHBondContact O-CB 3.33Å; E133-R136 PolarHBondContact O-N 2.97Å; E133-R136 VanDerWaalsContact O-N 3.14Å; Q134-R136 VanDerWaalsContact C-N 3.33Å; Q134-R136 PolarHBondContact O-N 3.32Å; R136-R139 PolarHBondContact O-N 3.46Å; R136-Q140 PolarHBondContact O-N 2.84Å
137L90.3Very high83Confident105 Ų105127 Ų12755%0.5559%0.587SS.*Hα-helixtrans-62.7-44.9175.3-88.2143.3000112.1E133 Q134 R139 Q140 K141E133-L137 HydrophobicContact CG-CD1 4.09Å; E133-L137 WeakPolarHBondContact O-CD1 3.27Å; E133-L137 PolarHBondContact O-N 3.31Å; Q134-L137 PolarHBondContact O-N 2.92Å; L137-R139 VanDerWaalsContact C-N 3.34Å; L137-R139 PolarHBondContact O-N 2.97Å; L137-Q140 PolarHBondContact O-N 3.01Å; L137-K141 PolarHBondContact O-N 3.11Å
138E88.5Confident84Confident126 Ų126130.1 Ų130.159%0.58960%0.595SS**Hα-helixtrans-62.9-40.4175.3-80.2-178126.700112Q134 K141 Q142Q134-E138 PolarHBondContact O-N 3.38Å; E138-K141 PolarHBondContact O-N 3.43Å; E138-Q142 WeakPolarHBondContact O-CB 3.36Å; E138-Q142 PolarHBondContact O-N 2.89Å
139R88.9Confident84.6Confident155 Ų155130.9 Ų130.959%0.58559%0.589SS**Hα-helixtrans-62.5-45.7174.9-173.3-174.3-59.9-95.61112K135 R136 L137 K141 Q142 E143K135-R139 WeakPolarHBondContact O-CB 3.5Å; K135-R139 PolarHBondContact O-N 2.96Å; K135-R139 VanDerWaalsContact O-N 3.07Å; R136-R139 PolarHBondContact O-N 3.46Å; L137-R139 VanDerWaalsContact C-N 3.34Å; L137-R139 PolarHBondContact O-N 2.97Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 2.81Å; R139-Q142 WeakPolarHBondContact O-CB 3.24Å; R139-Q142 PolarHBondContact O-N 2.9Å; R139-E143 WeakPolarHBondContact O-CG 3.25Å; R139-E143 PolarHBondContact O-N 2.87Å
140Q88.9Confident84.6Confident118 Ų118131.2 Ų131.255%0.55159%0.588SS**Hα-helixtrans-61.2-40.4176.8-83.7-170.4-5.100112R136 L137 E143 Q144R136-Q140 PolarHBondContact O-N 2.84Å; L137-Q140 PolarHBondContact O-N 3.01Å; Q140-E143 PolarHBondContact O-N 3.37Å; Q140-Q144 WeakPolarHBondContact O-CB 3.38Å; Q140-Q144 PolarHBondContact O-N 3.28Å
141K91.6Very high84.3Confident137 Ų137135 Ų13560%0.59660%0.598SS**Hα-helixtrans-65.3-41176.6-171.5-178.9174.7-178.70111.6L137 E138 R139 Q144 L145L137-K141 PolarHBondContact O-N 3.11Å; E138-K141 PolarHBondContact O-N 3.43Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 2.81Å; K141-Q144 PolarHBondContact O-N 3.44Å; K141-L145 HydrophobicContact CG-CD1 4.44Å; K141-L145 WeakPolarHBondContact O-CG 3.22Å; K141-L145 PolarHBondContact O-N 3.33Å
142Q86.9Confident83.5Confident127 Ų127132.5 Ų132.559%0.59360%0.598SS**Hα-helixtrans-62.2-45.9175.9-167.677.15100111.3E138 R139 Q144 L145 E146E138-Q142 WeakPolarHBondContact O-CB 3.36Å; E138-Q142 PolarHBondContact O-N 2.89Å; R139-Q142 WeakPolarHBondContact O-CB 3.24Å; R139-Q142 PolarHBondContact O-N 2.9Å; Q142-Q144 VanDerWaalsContact C-N 3.33Å; Q142-Q144 PolarHBondContact O-N 3.39Å; Q142-L145 PolarHBondContact O-N 3.45Å; Q142-E146 PolarHBondContact O-N 2.77Å
143E88.3Confident82.4Confident119 Ų119132.1 Ų132.156%0.55660%0.601SS**Hα-helixtrans-63.3-37.7176.2-75.3176.2151.400112.3R139 Q140 E146 R147R139-E143 WeakPolarHBondContact O-CG 3.25Å; R139-E143 PolarHBondContact O-N 2.87Å; Q140-E143 PolarHBondContact O-N 3.37Å; E143-E146 PolarHBondContact O-N 2.9Å; E143-R147 WeakPolarHBondContact O-CB 3.47Å; E143-R147 PolarHBondContact O-N 3.34Å
144Q86.9Confident80.8Confident136 Ų136130.8 Ų130.864%0.63660%0.601SS**Hα-helixtrans-65.4-43.5176.6-170.317127.500111.6Q140 K141 Q142 R147 E148Q140-Q144 WeakPolarHBondContact O-CB 3.38Å; Q140-Q144 PolarHBondContact O-N 3.28Å; K141-Q144 PolarHBondContact O-N 3.44Å; Q142-Q144 VanDerWaalsContact C-N 3.33Å; Q142-Q144 PolarHBondContact O-N 3.39Å; Q144-R147 PolarHBondContact O-N 3.34Å; Q144-E148 WeakPolarHBondContact O-CB 3.5Å; Q144-E148 PolarHBondContact O-N 3.1Å
145L87.1Confident79.1Confident90 Ų90130.5 Ų130.547%0.47161%0.609SS.*Hα-helixtrans-62.9-42.7175.3-71.7168.8000111.5K141 Q142 R147 E148 Q149K141-L145 HydrophobicContact CG-CD1 4.44Å; K141-L145 WeakPolarHBondContact O-CG 3.22Å; K141-L145 PolarHBondContact O-N 3.33Å; Q142-L145 PolarHBondContact O-N 3.45Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.32Å; L145-E148 PolarHBondContact O-N 2.93Å; L145-Q149 WeakPolarHBondContact O-CB 3.46Å; L145-Q149 PolarHBondContact O-N 3.35Å
146E85.2Confident77.4Confident124 Ų124129.9 Ų129.958%0.57963%0.627SS**Hα-helixtrans-65.3-38.1177.7-165178.1124.500111.8Q142 E143 E148 Q149 K150Q142-E146 PolarHBondContact O-N 2.77Å; E143-E146 PolarHBondContact O-N 2.9Å; E146-E148 VanDerWaalsContact C-N 3.35Å; E146-Q149 PolarHBondContact O-N 3.21Å; E146-K150 WeakPolarHBondContact O-CB 3.34Å; E146-K150 PolarHBondContact O-N 3.11Å
147R83.4Confident75.4Confident179 Ų179126.7 Ų126.768%0.67563%0.632SS**Hα-helixtrans-68.7-34.4176.4-159.6174.8-166-126.95.5112.5E143 Q144 L145 R151E143-R147 WeakPolarHBondContact O-CB 3.47Å; E143-R147 PolarHBondContact O-N 3.34Å; Q144-R147 PolarHBondContact O-N 3.34Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-R147 PolarHBondContact O-N 3.32Å; R147-R151 WeakPolarHBondContact O-CB 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.33Å; R147-R151 PolarHBondContact O-N 3.48Å; R147-R151 VanDerWaalsContact O-N 3.11Å
148E82.1Confident73.4Confident128 Ų128126.5 Ų126.560%0.59864%0.639SS**Hα-helixtrans-71.6-42174.6-158.7161.4101.500110.9Q144 L145 E146 K150 R151 S152Q144-E148 WeakPolarHBondContact O-CB 3.5Å; Q144-E148 PolarHBondContact O-N 3.1Å; L145-E148 PolarHBondContact O-N 2.93Å; E146-E148 VanDerWaalsContact C-N 3.35Å; E148-K150 PolarHBondContact O-N 2.77Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.86Å; E148-S152 PolarHBondContact O-N 3.46Å; E148-S152 PolarHBondContact O-OG 3.25Å
149Q79.1Confident71.6Confident128 Ų128126.7 Ų126.760%0.59865%0.651SS**Hα-helixtrans-59.6-45.8172.4-117.917513.100112L145 E146 R151 S152 D153L145-Q149 WeakPolarHBondContact O-CB 3.46Å; L145-Q149 PolarHBondContact O-N 3.35Å; E146-Q149 PolarHBondContact O-N 3.21Å; Q149-R151 VanDerWaalsContact C-N 3.27Å; Q149-R151 PolarHBondContact O-N 3.41Å; Q149-S152 VanDerWaalsContact CA-OG 3.3Å; Q149-S152 WeakPolarHBondContact CA-OG 3.43Å; Q149-S152 PolarHBondContact O-N 3.38Å; Q149-S152 VanDerWaalsContact O-N 3.1Å; Q149-S152 PolarHBondContact O-OG 3.35Å; Q149-D153 PolarHBondContact O-N 3.24Å
150K71Confident69.7Low155 Ų155126 Ų12667%0.67466%0.664SS**Hα-helixtrans-66.9-29.2178.8-161.8161.7-164-77.70112.6E146 E148 T154E146-K150 WeakPolarHBondContact O-CB 3.34Å; E146-K150 PolarHBondContact O-N 3.11Å; E148-K150 PolarHBondContact O-N 2.77Å; K150-T154 PolarHBondContact O-N 3.43Å; K150-T154 PolarHBondContact O-OG1 3.27Å
151R68.9Low68.1Low186 Ų186124 Ų12470%0.70267%0.668SS**Hα-helixtrans-72.9-34.6170.6-85.1-175.7170.9-133.7-2.1112.5R147 E148 Q149 T154R147-R151 WeakPolarHBondContact O-CB 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.33Å; R147-R151 PolarHBondContact O-N 3.48Å; R147-R151 VanDerWaalsContact O-N 3.11Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.86Å; Q149-R151 VanDerWaalsContact C-N 3.27Å; Q149-R151 PolarHBondContact O-N 3.41Å; R151-T154 PolarHBondContact O-OG1 2.87Å
152S60.1Low66.7Low93 Ų93122.7 Ų122.765%0.6567%0.674SS**Hα-helixtrans-75.1-26.7175.6530000113.4E148 Q149E148-S152 PolarHBondContact O-N 3.46Å; E148-S152 PolarHBondContact O-OG 3.25Å; Q149-S152 VanDerWaalsContact CA-OG 3.3Å; Q149-S152 WeakPolarHBondContact CA-OG 3.43Å; Q149-S152 PolarHBondContact O-N 3.38Å; Q149-S152 VanDerWaalsContact O-N 3.1Å; Q149-S152 PolarHBondContact O-OG 3.35Å
153D57.6Low65.2Low131 Ų131123 Ų12370%0.70169%0.686SS**SBendtrans-89.7-2.3178.5-96.2-67.4000114.6Q149 P155Q149-D153 PolarHBondContact O-N 3.24Å; D153-P155 WeakPolarHBondContact O-CD 3.34Å
154T50.6Low63.8Low93 Ų93121.6 Ų121.657%0.57170%0.695SS**SBendtrans-90.71131738.70000110.1K150 R151 A156K150-T154 PolarHBondContact O-N 3.43Å; K150-T154 PolarHBondContact O-OG1 3.27Å; R151-T154 PolarHBondContact O-OG1 2.87Å; T154-A156 PolarHBondContact O-N 3.47Å
155P49.3Very low62.8Low111 Ų111120.6 Ų120.672%0.72170%0.7SS**  trans-62.3141.5164.527-30.4000108.2D153 S157D153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-S157 PolarHBondContact O-N 2.77Å
156A51.4Low61.8Low110 Ų110122 Ų12291%0.90972%0.715SS**  trans-47.9108.4177.600000111.3T154T154-A156 PolarHBondContact O-N 3.47Å
157S47.3Very low60.8Low109 Ų109121.8 Ų121.876%0.76273%0.725SS**  trans-132.2102.6153.7-159.90000107.2P155P155-S157 PolarHBondContact O-N 2.77Å
158S48.8Very low60Low101 Ų101118.8 Ų118.871%0.70673%0.728SS**  trans25.2120.9155.4-39.40000118.6V160S158-V160 PolarHBondContact O-N 3.5Å
159P50.7Low59.2Low130 Ų130118.3 Ų118.384%0.84474%0.736SS**  trans-74.1119.2159.830.3-27.8000109.2A161P159-A161 PolarHBondContact O-N 2.93Å
160V49.4Very low58.5Low141 Ų141118.5 Ų118.586%0.85575%0.748SS**  trans-66.8113.2159.9167.60000107.2S158S158-V160 PolarHBondContact O-N 3.5Å
161A54Low58.3Low76 Ų76115.1 Ų115.163%0.62875%0.749SS**PPolyproline II helixtrans-69.2150.8174.400000111.1P159P159-A161 PolarHBondContact O-N 2.93Å
162P61.5Low58Low110 Ų110112.3 Ų112.371%0.71476%0.755SS**PPolyproline II helixtrans-63.8153.4165.629.4-32.7000109.9A164P162-A164 PolarHBondContact O-N 2.93Å
163P56.9Low58.2Low132 Ų132114.2 Ų114.286%0.85776%0.763SS**PPolyproline II helixtrans-63.6129.5-179.726.3-32.1000110.4
164A58.2Low58.5Low91 Ų91113.5 Ų113.575%0.75277%0.766SS**PPolyproline II helixtrans-77.5148.4-179.100000112P162P162-A164 PolarHBondContact O-N 2.93Å
165P65.6Low59.2Low114 Ų114115.1 Ų115.174%0.7478%0.778SS**PPolyproline II helixtrans-66.8156.4169.729-33.8000111.5
166P66.1Low60.1Low119 Ų119114.3 Ų114.377%0.77378%0.78SS**PPolyproline II helixtrans-65.3147.6-177.727.1-33.9000111.9
167P65.4Low60.8Low121 Ų121114.6 Ų114.679%0.78677%0.773SS**PPolyproline II helixtrans-74.4147.1-173.829.3-34.2000112.8
168P66.8Low61.5Low116 Ų116115 Ų11575%0.75377%0.773SS**PPolyproline II helixtrans-72.6158.6169.830.9-33.6000111.8
169P64Low62.3Low118 Ų118115.9 Ų115.977%0.76678%0.776SS**PPolyproline II helixtrans-65.8153.8-179.127.5-34.2000112.4
170P64Low62.7Low131 Ų131115.1 Ų115.185%0.85177%0.771SS**PPolyproline II helixtrans-70.2134.3-172.227.5-33.6000112.5
171A68.5Low63.1Low84 Ų84114.5 Ų114.569%0.69477%0.77SS**PPolyproline II helixtrans-80151.7168.300000110.8
172P62.4Low63.2Low127 Ų127117.1 Ų117.183%0.82578%0.784SS**PPolyproline II helixtrans-67.5140.9-178.227.2-33.2000111.8
173T62.8Low62.7Low134 Ų134116 Ų11682%0.82279%0.792SS**PPolyproline II helixtrans-74.9131.6-178.348.10000111.8
174P65.6Low62.1Low115 Ų115113.5 Ų113.575%0.74779%0.79SS**PPolyproline II helixtrans-73.3156.1168.929.8-31.9000111.6
175P64.8Low61.8Low127 Ų127114 Ų11483%0.82580%0.795SS**PPolyproline II helixtrans-72.2151.5-175.329.4-33.3000112.6
176A68.3Low61.3Low94 Ų94115.2 Ų115.278%0.77780%0.8SS**PPolyproline II helixtrans-71.5144.9-175.100000113.3
177P65.1Low60.9Low116 Ų116115.1 Ų115.175%0.75380%0.799SS**PPolyproline II helixtrans-76.215917031.6-33.3000112.3
178P62.8Low60.8Low118 Ų118115.5 Ų115.577%0.76680%0.802SS**PPolyproline II helixtrans-75.1160-17631.3-35000113.2
179P65.2Low60.4Low119 Ų119114.4 Ų114.477%0.77380%0.803SS**PPolyproline II helixtrans-77.2154.6-176.831.2-34.6000113.3
180P60.4Low60.2Low114 Ų114114.5 Ų114.574%0.7480%0.803SS**PPolyproline II helixtrans-79.6156.6176.132.5-33.8000112.8
181P56.5Low60.5Low129 Ų129114 Ų11484%0.83880%0.8SS**PPolyproline II helixtrans-76.2144.9-179.330.7-32.5000112.4
182S56.7Low60.3Low131 Ų131115.5 Ų115.592%0.91680%0.803SS**PPolyproline II helixtrans-82.8137.3174-620000111.9
183G51.3Low60.3Low85 Ų85115.1 Ų115.188%0.87680%0.8SS**  trans139122.3155.700000115.6
184G44.7Very low60.2Low80 Ų80115.2 Ų115.283%0.82580%0.803SS**  trans152.688.1161.200000116.3
185A51.9Low59.4Low103 Ų103115 Ų11585%0.85181%0.81SS**  trans13.2127.1157.900000121.7
186V55.1Low58.3Low138 Ų138112.9 Ų112.984%0.83681%0.812SS**PPolyproline II helixtrans-76.5141.4160.4-69.60000111.3
187P57.4Low56.9Low117 Ų117111.6 Ų111.676%0.7681%0.808SS**PPolyproline II helixtrans-79.3152.4167.931.8-31.9000111.6
188P62.4Low55.7Low130 Ų130112.5 Ų112.584%0.84482%0.817SS**PPolyproline II helixtrans-81.1155.8-176.732.9-34000113.5
189A59Low54.4Low93 Ų93110.5 Ų110.577%0.76982%0.818SS**PPolyproline II helixtrans-77.4155.4178.700000113.4
190P60Low53.1Low119 Ų119114.2 Ų114.277%0.77382%0.822SS**PPolyproline II helixtrans-74.4156.5177.430.3-34.6000113.4
191P70Confident51.9Low121 Ų121115.3 Ų115.379%0.78683%0.826SS**PPolyproline II helixtrans-81.6157.9-175.332.6-34.8000114.2
192P64.4Low50.8Low116 Ų116112.8 Ų112.875%0.75382%0.824SS**PPolyproline II helixtrans-82.9161.8179.333.9-35000113.7
193P61.1Low49.7Very low119 Ų119110.1 Ų110.177%0.77382%0.816SS**PPolyproline II helixtrans-75.5152.3177.631.4-34.2000112.5
194P62.4Low48.9Very low136 Ų136115.8 Ų115.888%0.88382%0.82SS**PPolyproline II helixtrans-77139.7-17929-32.1000112.9
195A49Very low48.4Very low109 Ų109115.6 Ų115.690%0.90182%0.818SS**PPolyproline II helixtrans-97136.917000000111.1
196G40.3Very low47.6Very low84 Ų84114.7 Ų114.787%0.86682%0.819SS**  trans176.7130164.400000107.9
197G38.9Very low46.9Very low66 Ų66111.3 Ų111.368%0.6881%0.812SS**  cis148.1116.57.500000107.5
198S39.9Very low46.6Very low135 Ų135111.4 Ų111.494%0.94482%0.815SS**  trans65.5121160.854.50000121
199G35Very low45.9Very low76 Ų76112 Ų11278%0.78481%0.811SS**  trans-177.847.2167.700000118.7
200K37.9Very low45.5Very low197 Ų197116.7 Ų116.786%0.85782%0.823SS**  trans62.2110.4144.3-148.1175-178.8-178.10121.7
201V35.9Very low44.9Very low138 Ų138114.4 Ų114.484%0.83681%0.814SS**  57.9119129.9-171.80000120.2
202G33.8Very low43.6Very low76 Ų76114.7 Ų114.778%0.78482%0.819SS**  135.9110.8126.300000116.6
203G33.2Very low42.6Very low74 Ų74113.6 Ų113.676%0.76382%0.82SS**  trans105.591.5138.200000118.5
204Q34.5Very low42Very low204 Ų204116.5 Ų116.595%0.95383%0.828SS**  69.3110.7119-144.6162.4100.100119.5
205G33.8Very low41Very low76 Ų76115.2 Ų115.278%0.78483%0.828SS**  92.2107.912000000118.8
206G36.3Very low41.1Very low84 Ų84113.9 Ų113.987%0.86683%0.825SS**  trans89.3149.3132.100000118.2
207G39.1Very low41.3Very low68 Ų68115 Ų11570%0.70183%0.827SS**  trans102.980.5151.400000115.6D209G207-D209 PolarHBondContact O-N 3.26Å
208S51.3Low41.9Very low118 Ų118121 Ų12183%0.82583%0.834SS**  trans-61.2100.115145.10000110.5
209D48.3Very low42.2Very low142 Ų142121.4 Ų121.476%0.75983%0.825SS**  trans-153.4105.7168.6-81.8-68.6000111.6G207 A211G207-D209 PolarHBondContact O-N 3.26Å; D209-A211 PolarHBondContact O-N 3.23Å
210L50.3Low43.3Very low192 Ų192129 Ų129100%1.00583%0.83SS**  trans-91.856.8173.6-123.3150.8000109.2
211A47.1Very low43.8Very low72 Ų72128.5 Ų128.560%0.59583%0.828SS**  trans-123.6130.5174.600000110.1D209D209-A211 PolarHBondContact O-N 3.23Å
212S42.5Very low44.2Very low127 Ų127128.1 Ų128.189%0.88883%0.826SS**  trans9098168.4-49.40000117.5
213A44.9Very low44.6Very low93 Ų93130 Ų13077%0.76982%0.822SS**  trans-152.894.3146.800000110.1
214L47.3Very low45.1Very low179 Ų179136.3 Ų136.394%0.93783%0.828SS**  174.988.6124.5-113.781.9000109.5
215A42.8Very low45.3Very low109 Ų109132.1 Ų132.190%0.90182%0.816SS**  trans-98.8129.6155.600000107.6
216G50.1Low45.5Very low81 Ų81136.8 Ų136.884%0.83582%0.818SS**  trans134.581161.900000115.6
217A45.2Very low45.4Very low108 Ų108138 Ų13889%0.89381%0.809SS**  trans-146.3108.514900000109.1
218K51.4Low45.7Very low193 Ų193139.9 Ų139.984%0.83981%0.811SS**  trans-120132.3176.2-117.1172.8174.1174.20108.8
219L46.4Very low45.6Very low143 Ų143141.7 Ų141.775%0.74981%0.806SS**  trans63.7121.5151.9-75.8135.7000120.2
220R58.4Low45.9Very low234 Ų234146.3 Ų146.388%0.88381%0.813SS**  -141.2129.1113.562.6-176.6-179.1-178.5-0.1111
221K47.6Very low46.1Very low187 Ų187148.5 Ų148.581%0.81382%0.821SS**  trans-93.5116.9176.9-143.8179.2-174.5178.30105.8
222T43.1Very low46.1Very low130 Ų130152.3 Ų152.380%0.79883%0.832SS**  trans-97.7108.3171.2-24.30000107.9
223V42.2Very low46.2Very low117 Ų117153.6 Ų153.671%0.70983%0.829SS**  trans-67.9126.3163.3170.60000106.9V225V223-V225 HydrophobicContact CG1-CG2 3.99Å
224K44Very low46.3Very low206 Ų206157 Ų15790%0.89683%0.832SS**  trans-110.3107160.5-168.5163.4-178.5173.60108.1
225V39.5Very low46.3Very low115 Ų115155.7 Ų155.770%0.69783%0.826SS**  trans-64.7148.3167.3164.30000109.6V223V223-V225 HydrophobicContact CG1-CG2 3.99Å
226E37.3Very low46.5Very low174 Ų174158.6 Ų158.681%0.81382%0.822SS**  trans-40.8169.1176.1-161.9172.9103.200118.3
227T34.8Very low46.2Very low111 Ų111163.8 Ų163.868%0.68182%0.821SS**  trans116.9107145.5-43.20000114.6
228S44.6Very low46.3Very low106 Ų106167.8 Ų167.874%0.74182%0.816SS**  -165.8107.9122.5-75.90000109.9
229H50.3Low45.9Very low157 Ų157165.8 Ų165.873%0.72781%0.814SS**  trans-68.2130.2168.4-164.1103.7000108.3
230W53.5Low45.9Very low239 Ų239167.8 Ų167.891%0.90582%0.819SS**  trans-98.9124.3167-69.7104.6000108.2
231M55.3Low44.7Very low237 Ų237161.7 Ų161.7100%1.16781%0.813SS**  trans-1130148.1-82.6-173.8171.800107.1

Retrieved 231 of 231 residues in 950.8 ms (Link to these results)

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