A0A078BS18_CAEEL Loading...

ELRR (Extracellular Leucine-Rich Repeat) ONly

AlphaFold DB , UniProt , Accession A0A078BS18, Species CAEEL (Caenorhabditis elegans), Gene lron-11, Length 241 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
1M47.8Very low69.7Low203 Ų20395.5 Ų95.5100%153%0.532SS*.  0128.5043.7-167.1157.500108.2
2A57.5Low71.4Confident45 Ų45100.9 Ų100.937%0.37254%0.539SS..  trans-76.9122.9-176.400000110.3V5 S26 N29A2-V5 HydrophobicContact CB-CG2 3.31Å; A2-S26 WeakPolarHBondContact CA-O 3.24Å; A2-S26 WeakPolarHBondContact CB-O 3.44Å; A2-N29 WeakPolarHBondContact CB-O 3.32Å
3T63.3Low72.7Confident96 Ų9694.9 Ų94.959%0.58951%0.507SS*.SBendtrans-94.7-22.9-158.2-21.60000113.3
4F65.9Low74.1Confident41 Ų4192.5 Ų92.518%0.1850%0.501CS..SBendtrans-1169.8-172.4-56-61.8000114.8Q6 L7 L13 A27 F28 P32F4-Q6 PolarHBondContact O-N 3.22Å; F4-Q6 VanDerWaalsContact O-N 3.13Å; F4-L7 HydrophobicContact CB-CD1 4.43Å; F4-L7 HydrophobicContact CD1-CD1 3.74Å; F4-L7 PolarHBondContact O-N 2.81Å; F4-L13 HydrophobicContact CE1-CD2 4.49Å; F4-L13 HydrophobicContact CE2-CD2 4.27Å; F4-L13 HydrophobicContact CZ-CD2 4.06Å; F4-A27 VanDerWaalsContact CD2-O 3.25Å; F4-A27 WeakPolarHBondContact CD2-O 3.5Å; F4-F28 AromaticContact CD2-CD1 3.62Å; F4-F28 HydrophobicContact CD2-CD1 3.62Å; F4-F28 AromaticContact CD2-CE1 3.64Å; F4-F28 HydrophobicContact CD2-CE1 3.64Å; F4-F28 AromaticContact CE2-CD1 3.96Å; F4-F28 HydrophobicContact CE2-CD1 3.96Å; F4-F28 AromaticContact CE2-CE1 3.5Å; F4-F28 HydrophobicContact CE2-CE1 3.5Å; F4-F28 VanDerWaalsContact CE2-CE1 3.5Å; F4-F28 HydrophobicContact CE2-CZ 4.11Å; F4-F28 HydrophobicContact CZ-CE1 4.49Å; F4-P32 HydrophobicContact CB-CG 4.45Å
5V63.4Low75.3Confident73 Ų7389.6 Ų89.644%0.44248%0.484SS..THydrogen-bonded Turntrans-59.1-29.8-170.8-177.60000114.1A2 P30A2-V5 HydrophobicContact CB-CG2 3.31Å; V5-P30 HydrophobicContact CB-CG 4.42Å; V5-P30 HydrophobicContact CG1-CG 3.76Å; V5-P30 HydrophobicContact CG2-CG 4.42Å
6Q67.7Low76.5Confident183 Ų18386.5 Ų86.586%0.85547%0.471SS*.THydrogen-bonded Turntrans-93.3-2.7-178.3-71.6178.1-21.600113.7F4 S8F4-Q6 PolarHBondContact O-N 3.22Å; F4-Q6 VanDerWaalsContact O-N 3.13Å; Q6-S8 VanDerWaalsContact C-N 3.34Å; Q6-S8 PolarHBondContact O-N 3.33Å; Q6-S8 VanDerWaalsContact O-N 3.16Å
7L74.5Confident77.6Confident79 Ų7986.6 Ų86.641%0.41448%0.48SS..  trans-94.163.8-174.7-53.7178.7000111.3F4 S9 L10F4-L7 HydrophobicContact CB-CD1 4.43Å; F4-L7 HydrophobicContact CD1-CD1 3.74Å; F4-L7 PolarHBondContact O-N 2.81Å; L7-S9 PolarHBondContact O-N 3.49Å; L7-S9 VanDerWaalsContact O-N 3.1Å; L7-L10 HydrophobicContact CB-CB 3.79Å; L7-L10 HydrophobicContact CB-CD1 4.5Å; L7-L10 HydrophobicContact CD1-CD1 4.06Å; L7-L10 HydrophobicContact CD1-CD2 4.29Å; L7-L10 VanDerWaalsContact O-CB 3.28Å; L7-L10 WeakPolarHBondContact O-CB 3.26Å; L7-L10 PolarHBondContact O-N 3.46Å
8S74.8Confident78.5Confident95 Ų9585.6 Ų85.666%0.66448%0.48SS*.THydrogen-bonded Turntrans-62.4-16-178.656.60000114.7Q6 P33Q6-S8 VanDerWaalsContact C-N 3.34Å; Q6-S8 PolarHBondContact O-N 3.33Å; Q6-S8 VanDerWaalsContact O-N 3.16Å; S8-P33 WeakPolarHBondContact O-CG 3.43Å
9S80.1Confident79.3Confident97 Ų9784.3 Ų84.368%0.67848%0.481SS*.THydrogen-bonded Turntrans-104.37.6177.3-58.20000113.3L7 H11L7-S9 PolarHBondContact O-N 3.49Å; L7-S9 VanDerWaalsContact O-N 3.1Å; S9-H11 PolarHBondContact O-N 3.19Å; S9-H11 VanDerWaalsContact O-N 3.12Å; S9-H11 PolarHBondContact O-ND1 2.79Å
10L83.5Confident80Confident36 Ų3682.4 Ų82.419%0.18847%0.469CS..  trans-76.6101.3-178-164.186.4000110.8L7 L13 P33 L34L7-L10 HydrophobicContact CB-CB 3.79Å; L7-L10 HydrophobicContact CB-CD1 4.5Å; L7-L10 HydrophobicContact CD1-CD1 4.06Å; L7-L10 HydrophobicContact CD1-CD2 4.29Å; L7-L10 VanDerWaalsContact O-CB 3.28Å; L7-L10 WeakPolarHBondContact O-CB 3.26Å; L7-L10 PolarHBondContact O-N 3.46Å; L10-L13 HydrophobicContact CD2-CB 4.33Å; L10-L13 HydrophobicContact CD2-CD2 4.49Å; L10-P33 CarbonylContact O-C 3.58Å; L10-L34 HydrophobicContact CD2-CD1 4.2Å; L10-L34 HydrophobicContact CD2-CD2 3.69Å; L10-L34 HydrophobicContact CD2-CG 4.07Å; L10-L34 HydrophobicContact CG-CD2 3.85Å; L10-L34 PolarHBondContact O-N 2.94Å
11H87.8Confident80.6Confident102 Ų10281.4 Ų81.447%0.47247%0.465SS..  trans-103.4-19.3177.5-65.882.5000113S9 P33 S35 H36S9-H11 PolarHBondContact O-N 3.19Å; S9-H11 VanDerWaalsContact O-N 3.12Å; S9-H11 PolarHBondContact O-ND1 2.79Å; H11-P33 PolarHBondContact CD2-O 3.23Å; H11-S35 PolarHBondContact O-N 3.27Å; H11-S35 PolarHBondContact O-OG 2.85Å; H11-H36 PolarHBondContact O-N 2.87Å
12W90.1Very high82.5Confident161 Ų16176.6 Ų76.661%0.6144%0.44SS*.EExtended strand (participates in β ladder)trans-132.8126.6-176.6-172.1-71.6000109.7H36W12-H36 WeakPolarHBondContact CA-O 3.47Å; W12-H36 HydrophobicContact CB-CB 4.48Å; W12-H36 HydrophobicContact CD2-CB 3.69Å; W12-H36 AromaticContact CD2-CD2 3.35Å; W12-H36 AromaticContact CD2-CG 3.52Å; W12-H36 AromaticContact CE2-CD2 3.13Å; W12-H36 AromaticContact CE2-CG 3.72Å; W12-H36 AromaticContact CE2-NE2 3.49Å; W12-H36 HydrophobicContact CE3-CB 3.35Å; W12-H36 AromaticContact CE3-CD2 3.71Å; W12-H36 AromaticContact CE3-CG 3.37Å; W12-H36 AromaticContact CE3-ND1 3.94Å; W12-H36 HydrophobicContact CG-CB 4.2Å; W12-H36 AromaticContact CG-CD2 3.95Å; W12-H36 HydrophobicContact CH2-CB 4.48Å; W12-H36 AromaticContact CH2-CD2 3.68Å; W12-H36 AromaticContact CH2-CE1 3.41Å; W12-H36 VanDerWaalsContact CH2-CE1 3.41Å; W12-H36 WeakPolarHBondContact CH2-CE1 3.36Å; W12-H36 AromaticContact CH2-CG 3.63Å; W12-H36 AromaticContact CH2-ND1 3.45Å; W12-H36 WeakPolarHBondContact CH2-ND1 3.25Å; W12-H36 AromaticContact CH2-NE2 3.55Å; W12-H36 AromaticContact CZ2-CD2 3.33Å; W12-H36 WeakPolarHBondContact CZ2-CD2 3.31Å; W12-H36 AromaticContact CZ2-CE1 3.56Å; W12-H36 AromaticContact CZ2-CG 3.79Å; W12-H36 AromaticContact CZ2-ND1 3.9Å; W12-H36 AromaticContact CZ2-NE2 3.17Å; W12-H36 WeakPolarHBondContact CZ2-NE2 3.28Å; W12-H36 HydrophobicContact CZ3-CB 3.8Å; W12-H36 AromaticContact CZ3-CD2 3.86Å; W12-H36 AromaticContact CZ3-CE1 3.94Å; W12-H36 AromaticContact CZ3-CG 3.42Å; W12-H36 VanDerWaalsContact CZ3-CG 3.42Å; W12-H36 AromaticContact CZ3-ND1 3.48Å; W12-H36 WeakPolarHBondContact CZ3-ND1 3.34Å; W12-H36 AromaticContact NE1-CD2 3.59Å
13L89.1Confident83.9Confident23 Ų2375.7 Ų75.712%0.1243%0.428CS..EExtended strand (participates in β ladder)trans-136.3126.5173.5178.162.5000109.1F4 L10 I15 F28 L34 H36 L37 D38F4-L13 HydrophobicContact CE1-CD2 4.49Å; F4-L13 HydrophobicContact CE2-CD2 4.27Å; F4-L13 HydrophobicContact CZ-CD2 4.06Å; L10-L13 HydrophobicContact CD2-CB 4.33Å; L10-L13 HydrophobicContact CD2-CD2 4.49Å; L13-I15 HydrophobicContact CD1-CD1 4.11Å; L13-I15 HydrophobicContact CD1-CG1 3.94Å; L13-I15 HydrophobicContact CD2-CD1 4.11Å; L13-I15 HydrophobicContact CG-CD1 4.17Å; L13-I15 HydrophobicContact CG-CG1 4.07Å; L13-F28 HydrophobicContact CD2-CE1 3.71Å; L13-F28 HydrophobicContact CD2-CZ 4.21Å; L13-L34 HydrophobicContact CB-CD1 4.34Å; L13-L34 HydrophobicContact CB-CD2 3.66Å; L13-L34 HydrophobicContact CD2-CD1 4.22Å; L13-H36 PolarHBondContact N-O 3.29Å; L13-L37 HydrophobicContact CB-CD1 4.07Å; L13-L37 HydrophobicContact CD2-CD1 3.92Å; L13-L37 HydrophobicContact CG-CD1 4.03Å; L13-L37 CarbonylContact O-C 3.22Å; L13-L37 VanDerWaalsContact O-CA 3.3Å; L13-L37 WeakPolarHBondContact O-CA 3.44Å; L13-D38 PolarHBondContact O-N 3.47Å
14S92.4Very high84.9Confident61 Ų6176.6 Ų76.643%0.42743%0.426SS..EExtended strand (participates in β ladder)trans-126122.5173.4176.80000108.6
15I91.3Very high85.5Confident49 Ų4978.3 Ų78.325%0.25144%0.441SS..  trans-131.251.3174.5-45.8175.1000106.9L13 L20 D38 L39 N42L13-I15 HydrophobicContact CD1-CD1 4.11Å; L13-I15 HydrophobicContact CD1-CG1 3.94Å; L13-I15 HydrophobicContact CD2-CD1 4.11Å; L13-I15 HydrophobicContact CG-CD1 4.17Å; L13-I15 HydrophobicContact CG-CG1 4.07Å; I15-L20 HydrophobicContact CG2-CD2 4.49Å; I15-D38 CarbonylContact C-O 3.55Å; I15-D38 PolarHBondContact N-O 2.92Å; I15-L39 HydrophobicContact CB-CD2 4.13Å; I15-N42 PolarHBondContact O-ND2 3.2Å
16S94.6Very high86.2Confident40 Ų4076.5 Ų76.528%0.2843%0.432SS..  trans-80.6154.4177.663.50000111.5S18 S40S16-S18 VanDerWaalsContact C-N 3.25Å; S16-S18 PolarHBondContact O-N 2.78Å; S16-S18 PolarHBondContact O-OG 3.37Å; S16-S40 CarbonylContact C-O 3.42Å; S16-S40 WeakPolarHBondContact CA-O 3.37Å; S16-S40 WeakPolarHBondContact CB-O 3.34Å
17S94.6Very high86.7Confident88 Ų8868.1 Ų68.162%0.61539%0.394SS*.SBendtrans57.434.5171.9-53.70000114.5S40 N41S17-S40 PolarHBondContact N-O 2.83Å; S17-S40 VanDerWaalsContact N-O 3.11Å; S17-N41 WeakPolarHBondContact CA-O 3.34Å; S17-N41 PolarHBondContact N-O 3.44Å; S17-N41 VanDerWaalsContact N-O 3.14Å; S17-N41 WeakPolarHBondContact OG-CB 3.43Å
18S94.9Very high86.8Confident69 Ų6964.7 Ų64.748%0.48338%0.376SS..SBendtrans-111.211.9-174-63.10000113.5S16 L20 N42S16-S18 VanDerWaalsContact C-N 3.25Å; S16-S18 PolarHBondContact O-N 2.78Å; S16-S18 PolarHBondContact O-OG 3.37Å; S18-L20 PolarHBondContact O-N 2.83Å; S18-L20 VanDerWaalsContact O-N 3.12Å; S18-N42 WeakPolarHBondContact CA-OD1 3.39Å; S18-N42 PolarHBondContact N-OD1 3.28Å
19A93.8Very high86.8Confident61 Ų6165.1 Ų65.150%0.50437%0.37SS..  trans5035.1-175.500000112.8T21 N42A19-T21 PolarHBondContact O-N 3.45Å; A19-N42 PolarHBondContact N-OD1 3.4Å
20L93Very high86.5Confident46 Ų4663.9 Ų63.924%0.24136%0.36CS..  trans-73.3118.2-176.4-169.467.3000109.6I15 S18 I23 L39 N42 E43 L44I15-L20 HydrophobicContact CG2-CD2 4.49Å; S18-L20 PolarHBondContact O-N 2.83Å; S18-L20 VanDerWaalsContact O-N 3.12Å; L20-I23 HydrophobicContact CD2-CD1 4.07Å; L20-I23 HydrophobicContact CD2-CG1 3.69Å; L20-I23 HydrophobicContact CG-CG1 4.35Å; L20-L39 HydrophobicContact CD2-CD2 4.38Å; L20-N42 HydrophobicContact CB-CB 4.01Å; L20-N42 WeakPolarHBondContact CB-OD1 3.43Å; L20-N42 PolarHBondContact N-OD1 2.88Å; L20-E43 CarbonylContact O-C 3.18Å; L20-E43 VanDerWaalsContact O-C 3.22Å; L20-E43 WeakPolarHBondContact O-CA 3.31Å; L20-E43 PolarHBondContact O-N 3.42Å; L20-L44 HydrophobicContact CB-CD2 4.4Å; L20-L44 HydrophobicContact CD2-CD2 4.19Å; L20-L44 HydrophobicContact CG-CD2 4Å; L20-L44 WeakPolarHBondContact O-CD2 3.39Å; L20-L44 WeakPolarHBondContact O-CG 3.17Å; L20-L44 PolarHBondContact O-N 3.45Å
21T92Very high86Confident61 Ų6165.9 Ų65.937%0.37437%0.37SS..  trans-96.4-31.8-17951.90000112.7A19 E43A19-T21 PolarHBondContact O-N 3.45Å; T21-E43 HydrophobicContact CG2-CB 3.88Å
22H87.6Confident85.4Confident103 Ų10361.4 Ų61.448%0.47735%0.35SS..  trans-141.7141.8-174.5-60.2-60.4000111.5Y46H22-Y46 AromaticContact CE1-CE1 3.96Å; H22-Y46 AromaticContact CE1-CZ 3.72Å; H22-Y46 PolarHBondContact CE1-OH 2.77Å; H22-Y46 AromaticContact ND1-CE1 3.97Å; H22-Y46 AromaticContact ND1-CZ 3.43Å; H22-Y46 PolarHBondContact ND1-OH 3.44Å
23I86.9Confident85Confident25 Ų2556 Ų5613%0.12834%0.335CS..  trans-116.8128.3167.8-56.5167.6000107.6L20 A27 F28 L39 L44 M51L20-I23 HydrophobicContact CD2-CD1 4.07Å; L20-I23 HydrophobicContact CD2-CG1 3.69Å; L20-I23 HydrophobicContact CG-CG1 4.35Å; I23-A27 HydrophobicContact CG2-CB 3.85Å; I23-F28 HydrophobicContact CG2-CD2 4.37Å; I23-F28 HydrophobicContact CG2-CE2 3.83Å; I23-L39 HydrophobicContact CD1-CD1 3.71Å; I23-L39 HydrophobicContact CD1-CD2 4.29Å; I23-L44 HydrophobicContact CD1-CD1 3.92Å; I23-L44 HydrophobicContact CD1-CD2 4.03Å; I23-L44 HydrophobicContact CG1-CD2 3.88Å; I23-M51 HydrophobicContact CB-CE 3.63Å; I23-M51 HydrophobicContact CB-SD 4.3Å; I23-M51 HydrophobicContact CD1-CE 4.09Å; I23-M51 HydrophobicContact CG1-CE 4.47Å; I23-M51 HydrophobicContact CG2-CE 3.29Å; I23-M51 HydrophobicContact CG2-SD 3.94Å
24H84.7Confident84.8Confident115 Ų11555.1 Ų55.153%0.53233%0.331SS..  trans-65.8136.1179-167.4-91.2000110.1S26 A27H24-S26 PolarHBondContact CE1-OG 2.78Å; H24-S26 PolarHBondContact ND1-N 3Å; H24-S26 PolarHBondContact ND1-OG 2.89Å; H24-S26 PolarHBondContact O-N 2.91Å; H24-A27 HydrophobicContact CB-CB 4.45Å; H24-A27 WeakPolarHBondContact O-CB 3.24Å; H24-A27 PolarHBondContact O-N 2.93Å
25P79.3Confident84.6Confident77 Ų7754.1 Ų54.150%0.532%0.324SS..THydrogen-bonded Turntrans-55.7-30.5-176.9-2632.3000114.5A48 M51P25-A48 HydrophobicContact CB-CB 3.8Å; P25-A48 HydrophobicContact CG-CB 3.78Å; P25-M51 WeakPolarHBondContact O-CG 3.48Å
26S78.3Confident84.6Confident36 Ų3652.2 Ų52.225%0.25231%0.314SS..THydrogen-bonded Turntrans-93.67.2177.566.50000115A2 H24 F28 N29A2-S26 WeakPolarHBondContact CA-O 3.24Å; A2-S26 WeakPolarHBondContact CB-O 3.44Å; H24-S26 PolarHBondContact CE1-OG 2.78Å; H24-S26 PolarHBondContact ND1-N 3Å; H24-S26 PolarHBondContact ND1-OG 2.89Å; H24-S26 PolarHBondContact O-N 2.91Å; S26-F28 VanDerWaalsContact C-N 3.25Å; S26-F28 PolarHBondContact O-N 3.35Å; S26-N29 PolarHBondContact O-N 3.29Å
27A77.8Confident84.4Confident7 Ų750.3 Ų50.36%0.05830%0.301CS..THydrogen-bonded Turntrans-58.8-41179.300000111.5F4 I23 H24F4-A27 VanDerWaalsContact CD2-O 3.25Å; F4-A27 WeakPolarHBondContact CD2-O 3.5Å; I23-A27 HydrophobicContact CG2-CB 3.85Å; H24-A27 HydrophobicContact CB-CB 4.45Å; H24-A27 WeakPolarHBondContact O-CB 3.24Å; H24-A27 PolarHBondContact O-N 2.93Å
28F75.4Confident84.3Confident7 Ų747.2 Ų47.23%0.03128%0.277CS..THydrogen-bonded Turntrans-10428.2179.5-56.9-70.1000112.9F4 L13 I23 S26 P30 I31 L34 M51 W54F4-F28 AromaticContact CD2-CD1 3.62Å; F4-F28 HydrophobicContact CD2-CD1 3.62Å; F4-F28 AromaticContact CD2-CE1 3.64Å; F4-F28 HydrophobicContact CD2-CE1 3.64Å; F4-F28 AromaticContact CE2-CD1 3.96Å; F4-F28 HydrophobicContact CE2-CD1 3.96Å; F4-F28 AromaticContact CE2-CE1 3.5Å; F4-F28 HydrophobicContact CE2-CE1 3.5Å; F4-F28 VanDerWaalsContact CE2-CE1 3.5Å; F4-F28 HydrophobicContact CE2-CZ 4.11Å; F4-F28 HydrophobicContact CZ-CE1 4.49Å; L13-F28 HydrophobicContact CD2-CE1 3.71Å; L13-F28 HydrophobicContact CD2-CZ 4.21Å; I23-F28 HydrophobicContact CG2-CD2 4.37Å; I23-F28 HydrophobicContact CG2-CE2 3.83Å; S26-F28 VanDerWaalsContact C-N 3.25Å; S26-F28 PolarHBondContact O-N 3.35Å; F28-P30 CarbonylContact C-O 3.54Å; F28-P30 CarbonylContact O-C 3.33Å; F28-I31 WeakPolarHBondContact O-CA 3.29Å; F28-I31 WeakPolarHBondContact O-CG1 3.25Å; F28-I31 PolarHBondContact O-N 3.47Å; F28-I31 VanDerWaalsContact O-N 3.14Å; F28-L34 HydrophobicContact CD1-CD1 4.3Å; F28-L34 HydrophobicContact CE1-CD1 4.21Å; F28-M51 HydrophobicContact CD2-CE 3.75Å; F28-M51 HydrophobicContact CD2-CG 4.38Å; F28-M51 HydrophobicContact CE2-CE 3.77Å; F28-W54 AromaticContact CD2-CZ2 3.9Å; F28-W54 HydrophobicContact CD2-CZ2 3.9Å; F28-W54 AromaticContact CE2-CZ2 3.9Å; F28-W54 HydrophobicContact CE2-CZ2 3.9Å
29N74.6Confident84.2Confident104 Ų10444 Ų4456%0.55625%0.254SS*.SBendtrans-119.7120.4177.6-167.8-6.1000111.1A2 S26A2-N29 WeakPolarHBondContact CB-O 3.32Å; S26-N29 PolarHBondContact O-N 3.29Å
30P74.5Confident84.3Confident71 Ų7141.6 Ų41.646%0.46123%0.234SC..SBendcis-62.3151.7-5.725-36.6000113.3V5 F28 P32V5-P30 HydrophobicContact CB-CG 4.42Å; V5-P30 HydrophobicContact CG1-CG 3.76Å; V5-P30 HydrophobicContact CG2-CG 4.42Å; F28-P30 CarbonylContact C-O 3.54Å; F28-P30 CarbonylContact O-C 3.33Å; P30-P32 VanDerWaalsContact O-CD 3.3Å; P30-P32 WeakPolarHBondContact O-CD 3.22Å
31I73.3Confident84.4Confident77 Ų7742.6 Ų42.640%0.39524%0.24SC..  trans-68.6115.7-176-63.2153.8000109F28 Q53F28-I31 WeakPolarHBondContact O-CA 3.29Å; F28-I31 WeakPolarHBondContact O-CG1 3.25Å; F28-I31 PolarHBondContact O-N 3.47Å; F28-I31 VanDerWaalsContact O-N 3.14Å; I31-Q53 WeakPolarHBondContact CD1-O 3.2Å
32P74.9Confident84.6Confident9 Ų940.2 Ų40.26%0.05823%0.225CC..  trans-65.9159173.528.5-34.2000110.1F4 P30 L34F4-P32 HydrophobicContact CB-CG 4.45Å; P30-P32 VanDerWaalsContact O-CD 3.3Å; P30-P32 WeakPolarHBondContact O-CD 3.22Å; P32-L34 HydrophobicContact CB-CG 4.31Å; P32-L34 HydrophobicContact CG-CD1 3.61Å; P32-L34 HydrophobicContact CG-CG 3.82Å; P32-L34 PolarHBondContact O-N 3.27Å
33P81.1Confident85Confident46 Ų4640.5 Ų40.530%0.29923%0.226SC..  trans-73.749.2177.832.7-35.6000112.6S8 L10 H11S8-P33 WeakPolarHBondContact O-CG 3.43Å; L10-P33 CarbonylContact O-C 3.58Å; H11-P33 PolarHBondContact CD2-O 3.23Å
34L84.8Confident85.3Confident6 Ų639.3 Ų39.33%0.03122%0.22CC..  trans-67.8130.7179.1-81.7170.1000110.8L10 L13 F28 P32 N56 I57L10-L34 HydrophobicContact CD2-CD1 4.2Å; L10-L34 HydrophobicContact CD2-CD2 3.69Å; L10-L34 HydrophobicContact CD2-CG 4.07Å; L10-L34 HydrophobicContact CG-CD2 3.85Å; L10-L34 PolarHBondContact O-N 2.94Å; L13-L34 HydrophobicContact CB-CD1 4.34Å; L13-L34 HydrophobicContact CB-CD2 3.66Å; L13-L34 HydrophobicContact CD2-CD1 4.22Å; F28-L34 HydrophobicContact CD1-CD1 4.3Å; F28-L34 HydrophobicContact CE1-CD1 4.21Å; P32-L34 HydrophobicContact CB-CG 4.31Å; P32-L34 HydrophobicContact CG-CD1 3.61Å; P32-L34 HydrophobicContact CG-CG 3.82Å; P32-L34 PolarHBondContact O-N 3.27Å; L34-N56 CarbonylContact O-C 3.36Å; L34-I57 HydrophobicContact CB-CG1 4.31Å; L34-I57 WeakPolarHBondContact O-CG1 3.41Å; L34-I57 PolarHBondContact O-N 2.99Å
35S88.8Confident85.7Confident39 Ų3940.5 Ų40.527%0.27322%0.22SC..SBendtrans-110.2-28.4175.369.80000112.3H11 R58 N59H11-S35 PolarHBondContact O-N 3.27Å; H11-S35 PolarHBondContact O-OG 2.85Å; S35-R58 PolarHBondContact O-N 3.14Å; S35-N59 PolarHBondContact O-N 3.17Å; S35-N59 VanDerWaalsContact O-N 3.07Å
36H90.8Very high86.1Confident10 Ų1042.7 Ų42.75%0.04622%0.219CC..EExtended strand (participates in β ladder)trans-128.2126.8177.9-175.894.2000110.1H11 W12 L13 N59 H61H11-H36 PolarHBondContact O-N 2.87Å; W12-H36 WeakPolarHBondContact CA-O 3.47Å; W12-H36 HydrophobicContact CB-CB 4.48Å; W12-H36 HydrophobicContact CD2-CB 3.69Å; W12-H36 AromaticContact CD2-CD2 3.35Å; W12-H36 AromaticContact CD2-CG 3.52Å; W12-H36 AromaticContact CE2-CD2 3.13Å; W12-H36 AromaticContact CE2-CG 3.72Å; W12-H36 AromaticContact CE2-NE2 3.49Å; W12-H36 HydrophobicContact CE3-CB 3.35Å; W12-H36 AromaticContact CE3-CD2 3.71Å; W12-H36 AromaticContact CE3-CG 3.37Å; W12-H36 AromaticContact CE3-ND1 3.94Å; W12-H36 HydrophobicContact CG-CB 4.2Å; W12-H36 AromaticContact CG-CD2 3.95Å; W12-H36 HydrophobicContact CH2-CB 4.48Å; W12-H36 AromaticContact CH2-CD2 3.68Å; W12-H36 AromaticContact CH2-CE1 3.41Å; W12-H36 VanDerWaalsContact CH2-CE1 3.41Å; W12-H36 WeakPolarHBondContact CH2-CE1 3.36Å; W12-H36 AromaticContact CH2-CG 3.63Å; W12-H36 AromaticContact CH2-ND1 3.45Å; W12-H36 WeakPolarHBondContact CH2-ND1 3.25Å; W12-H36 AromaticContact CH2-NE2 3.55Å; W12-H36 AromaticContact CZ2-CD2 3.33Å; W12-H36 WeakPolarHBondContact CZ2-CD2 3.31Å; W12-H36 AromaticContact CZ2-CE1 3.56Å; W12-H36 AromaticContact CZ2-CG 3.79Å; W12-H36 AromaticContact CZ2-ND1 3.9Å; W12-H36 AromaticContact CZ2-NE2 3.17Å; W12-H36 WeakPolarHBondContact CZ2-NE2 3.28Å; W12-H36 HydrophobicContact CZ3-CB 3.8Å; W12-H36 AromaticContact CZ3-CD2 3.86Å; W12-H36 AromaticContact CZ3-CE1 3.94Å; W12-H36 AromaticContact CZ3-CG 3.42Å; W12-H36 VanDerWaalsContact CZ3-CG 3.42Å; W12-H36 AromaticContact CZ3-ND1 3.48Å; W12-H36 WeakPolarHBondContact CZ3-ND1 3.34Å; W12-H36 AromaticContact NE1-CD2 3.59Å; L13-H36 PolarHBondContact N-O 3.29Å; H36-N59 WeakPolarHBondContact CA-O 3.49Å; H36-N59 HydrophobicContact CB-CB 4.27Å; H36-N59 WeakPolarHBondContact ND1-CB 3.25Å; H36-H61 AromaticContact CE1-CE1 3.92Å
37L90.7Very high86.3Confident0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-135.3119.1175.7178.561.4000109.9L13 L39 W54 I57 N59 L60 H61L13-L37 HydrophobicContact CB-CD1 4.07Å; L13-L37 HydrophobicContact CD2-CD1 3.92Å; L13-L37 HydrophobicContact CG-CD1 4.03Å; L13-L37 CarbonylContact O-C 3.22Å; L13-L37 VanDerWaalsContact O-CA 3.3Å; L13-L37 WeakPolarHBondContact O-CA 3.44Å; L37-L39 HydrophobicContact CD1-CD1 4.42Å; L37-L39 HydrophobicContact CD1-CD2 4.2Å; L37-L39 HydrophobicContact CD1-CG 4.01Å; L37-L39 HydrophobicContact CD2-CD1 3.95Å; L37-L39 HydrophobicContact CD2-CG 4.33Å; L37-L39 HydrophobicContact CG-CD1 4.2Å; L37-L39 HydrophobicContact CG-CG 4.02Å; L37-W54 HydrophobicContact CD2-CD2 4.46Å; L37-W54 HydrophobicContact CD2-CE3 4.09Å; L37-W54 HydrophobicContact CD2-CH2 3.17Å; L37-W54 HydrophobicContact CD2-CZ2 3.61Å; L37-W54 HydrophobicContact CD2-CZ3 3.44Å; L37-W54 VanDerWaalsContact CD2-CZ3 3.44Å; L37-I57 HydrophobicContact CB-CD1 3.82Å; L37-I57 HydrophobicContact CD2-CD1 3.92Å; L37-N59 PolarHBondContact N-O 2.94Å; L37-L60 HydrophobicContact CB-CD1 4.25Å; L37-L60 HydrophobicContact CD2-CD1 4.11Å; L37-L60 HydrophobicContact CG-CD1 4.3Å; L37-L60 WeakPolarHBondContact O-CA 3.39Å; L37-H61 PolarHBondContact O-N 3.44Å
38D93.3Very high86.2Confident22 Ų2241.8 Ų41.812%0.11821%0.213CC..EExtended strand (participates in β ladder)trans-112.3113.7173.8-164.7-27.2000110.4L13 I15 S40 H61L13-D38 PolarHBondContact O-N 3.47Å; I15-D38 CarbonylContact C-O 3.55Å; I15-D38 PolarHBondContact N-O 2.92Å; D38-S40 WeakPolarHBondContact OD1-CB 3.23Å; D38-S40 PolarHBondContact OD1-N 2.83Å; D38-S40 PolarHBondContact OD1-OG 3.28Å; D38-H61 HydrophobicContact CB-CB 4.29Å; D38-H61 IonicContact OD2-CG 3.96Å; D38-H61 IonicContact OD2-ND1 3.15Å; D38-H61 PolarHBondContact OD2-ND1 2.96Å; D38-H61 VanDerWaalsContact OD2-ND1 3.15Å
39L93.2Very high85.9Confident1 Ų146 Ų461%0.00524%0.241CC..  trans-119.918.9173.7-63.1172.3000111I15 L20 I23 L37 N42 L44 W54 H61 L62 N65I15-L39 HydrophobicContact CB-CD2 4.13Å; L20-L39 HydrophobicContact CD2-CD2 4.38Å; I23-L39 HydrophobicContact CD1-CD1 3.71Å; I23-L39 HydrophobicContact CD1-CD2 4.29Å; L37-L39 HydrophobicContact CD1-CD1 4.42Å; L37-L39 HydrophobicContact CD1-CD2 4.2Å; L37-L39 HydrophobicContact CD1-CG 4.01Å; L37-L39 HydrophobicContact CD2-CD1 3.95Å; L37-L39 HydrophobicContact CD2-CG 4.33Å; L37-L39 HydrophobicContact CG-CD1 4.2Å; L37-L39 HydrophobicContact CG-CG 4.02Å; L39-N42 PolarHBondContact O-ND2 3.44Å; L39-L44 HydrophobicContact CB-CD1 4.03Å; L39-L44 HydrophobicContact CD1-CD1 4.19Å; L39-W54 HydrophobicContact CD1-CH2 4.45Å; L39-H61 PolarHBondContact N-O 2.93Å; L39-L62 HydrophobicContact CB-CD2 4.12Å; L39-L62 HydrophobicContact CD1-CD2 4.21Å; L39-N65 PolarHBondContact O-ND2 3.34Å
40S95.1Very high85.4Confident11 Ų1143.2 Ų43.28%0.07724%0.236CC..  trans-65.3156.6-177.965.90000112.3S16 S17 D38 N42 H61 A63S16-S40 CarbonylContact C-O 3.42Å; S16-S40 WeakPolarHBondContact CA-O 3.37Å; S16-S40 WeakPolarHBondContact CB-O 3.34Å; S17-S40 PolarHBondContact N-O 2.83Å; S17-S40 VanDerWaalsContact N-O 3.11Å; D38-S40 WeakPolarHBondContact OD1-CB 3.23Å; D38-S40 PolarHBondContact OD1-N 2.83Å; D38-S40 PolarHBondContact OD1-OG 3.28Å; S40-N42 PolarHBondContact O-N 3.07Å; S40-N42 PolarHBondContact O-ND2 3.19Å; S40-H61 PolarHBondContact N-O 3.48Å; S40-A63 CarbonylContact C-O 3.52Å; S40-A63 WeakPolarHBondContact CA-O 3.39Å; S40-A63 WeakPolarHBondContact CB-O 3.35Å
41N96.2Very high84.9Confident68 Ų6840.1 Ų40.136%0.36422%0.216SC..SBendtrans59.347.1176.7-52-77.8000112.4S17 A63 N64S17-N41 WeakPolarHBondContact CA-O 3.34Å; S17-N41 PolarHBondContact N-O 3.44Å; S17-N41 VanDerWaalsContact N-O 3.14Å; S17-N41 WeakPolarHBondContact OG-CB 3.43Å; N41-A63 PolarHBondContact N-O 3.44Å; N41-N64 CarbonylContact C-O 3.55Å; N41-N64 WeakPolarHBondContact CA-O 3.37Å; N41-N64 HydrophobicContact CB-CB 4.42Å; N41-N64 PolarHBondContact N-O 3.27Å; N41-N64 WeakPolarHBondContact OD1-CB 3.49Å; N41-N64 PolarHBondContact OD1-ND2 3.27Å
42N96.3Very high84.3Confident11 Ų1137.3 Ų37.36%0.05920%0.201CC..SBendtrans-123.6-168.8174.3-76.1-67.2000109.6I15 S18 A19 L20 L39 S40 L44 N64 N65I15-N42 PolarHBondContact O-ND2 3.2Å; S18-N42 WeakPolarHBondContact CA-OD1 3.39Å; S18-N42 PolarHBondContact N-OD1 3.28Å; A19-N42 PolarHBondContact N-OD1 3.4Å; L20-N42 HydrophobicContact CB-CB 4.01Å; L20-N42 WeakPolarHBondContact CB-OD1 3.43Å; L20-N42 PolarHBondContact N-OD1 2.88Å; L39-N42 PolarHBondContact O-ND2 3.44Å; S40-N42 PolarHBondContact O-N 3.07Å; S40-N42 PolarHBondContact O-ND2 3.19Å; N42-L44 HydrophobicContact CB-CG 4.2Å; N42-N64 PolarHBondContact N-O 2.82Å; N42-N64 VanDerWaalsContact N-O 3.1Å; N42-N64 VanDerWaalsContact O-O 3.06Å; N42-N65 VanDerWaalsContact CA-OD1 3.32Å; N42-N65 WeakPolarHBondContact CA-OD1 3.24Å; N42-N65 WeakPolarHBondContact CB-OD1 3.12Å; N42-N65 PolarHBondContact N-OD1 2.91Å; N42-N65 WeakPolarHBondContact O-CA 3.41Å; N42-N65 PolarHBondContact O-OD1 3.35Å
43E96Very high83.8Confident108 Ų10843.7 Ų43.751%0.50523%0.23SC..  trans-11631.7-179-64.5179.7-158.400110.5L20 T21 R45 N65L20-E43 CarbonylContact O-C 3.18Å; L20-E43 VanDerWaalsContact O-C 3.22Å; L20-E43 WeakPolarHBondContact O-CA 3.31Å; L20-E43 PolarHBondContact O-N 3.42Å; T21-E43 HydrophobicContact CG2-CB 3.88Å; E43-R45 PolarHBondContact O-N 2.93Å; E43-N65 PolarHBondContact N-OD1 3.48Å
44L93Very high83.5Confident0 Ų042.7 Ų42.70%022%0.221CC..  trans-72.5128.9-177.2-63171.1000110L20 I23 L39 N42 N65 D66 W67L20-L44 HydrophobicContact CB-CD2 4.4Å; L20-L44 HydrophobicContact CD2-CD2 4.19Å; L20-L44 HydrophobicContact CG-CD2 4Å; L20-L44 WeakPolarHBondContact O-CD2 3.39Å; L20-L44 WeakPolarHBondContact O-CG 3.17Å; L20-L44 PolarHBondContact O-N 3.45Å; I23-L44 HydrophobicContact CD1-CD1 3.92Å; I23-L44 HydrophobicContact CD1-CD2 4.03Å; I23-L44 HydrophobicContact CG1-CD2 3.88Å; L39-L44 HydrophobicContact CB-CD1 4.03Å; L39-L44 HydrophobicContact CD1-CD1 4.19Å; N42-L44 HydrophobicContact CB-CG 4.2Å; L44-N65 HydrophobicContact CB-CB 4.37Å; L44-N65 VanDerWaalsContact CB-OD1 3.26Å; L44-N65 WeakPolarHBondContact CB-OD1 3.16Å; L44-N65 WeakPolarHBondContact CG-OD1 2.97Å; L44-N65 PolarHBondContact N-OD1 2.94Å; L44-D66 CarbonylContact O-C 3.6Å; L44-D66 VanDerWaalsContact O-C 3.26Å; L44-D66 PolarHBondContact O-N 3.06Å; L44-W67 HydrophobicContact CB-CE3 4.45Å; L44-W67 HydrophobicContact CB-CH2 3.47Å; L44-W67 VanDerWaalsContact CB-CH2 3.47Å; L44-W67 HydrophobicContact CB-CZ2 4.05Å; L44-W67 HydrophobicContact CB-CZ3 3.68Å; L44-W67 HydrophobicContact CD1-CH2 3.75Å; L44-W67 HydrophobicContact CD1-CZ2 4.23Å; L44-W67 HydrophobicContact CG-CH2 4.25Å
45R92.3Very high82.7Confident140 Ų14047.4 Ų47.453%0.52825%0.252SS..  trans-100.8-30.7177.1-68.5-175.9168.8162.84.3113.9E43 D66 H68E43-R45 PolarHBondContact O-N 2.93Å; R45-D66 VanDerWaalsContact CA-O 3.31Å; R45-D66 WeakPolarHBondContact CA-O 3.2Å; R45-D66 HydrophobicContact CG-CB 4Å; R45-D66 WeakPolarHBondContact CG-O 3.23Å; R45-D66 IonicContact CZ-OD2 3.52Å; R45-D66 IonicContact NE-OD2 2.85Å; R45-D66 PolarHBondContact NE-OD2 3.35Å; R45-D66 IonicContact NH2-OD2 3.32Å; R45-D66 PolarHBondContact NH2-OD2 2.96Å; R45-H68 PolarHBondContact O-N 2.97Å
46Y86.9Confident82.2Confident123 Ų12350.2 Ų50.248%0.48226%0.264SS..  trans-151.8157.2-176.151.6-93.4000109.3H22H22-Y46 AromaticContact CE1-CE1 3.96Å; H22-Y46 AromaticContact CE1-CZ 3.72Å; H22-Y46 PolarHBondContact CE1-OH 2.77Å; H22-Y46 AromaticContact ND1-CE1 3.97Å; H22-Y46 AromaticContact ND1-CZ 3.43Å; H22-Y46 PolarHBondContact ND1-OH 3.44Å
47V83Confident82Confident10 Ų1051.2 Ų51.26%0.06127%0.269CS..  trans-119.3138.4166.5-173.80000108M51 L52 W67V47-M51 HydrophobicContact CG1-CB 3.83Å; V47-M51 HydrophobicContact CG1-CE 3.43Å; V47-M51 VanDerWaalsContact CG1-CE 3.43Å; V47-M51 HydrophobicContact CG1-SD 4.06Å; V47-L52 HydrophobicContact CB-CD1 3.94Å; V47-L52 HydrophobicContact CB-CD2 3.75Å; V47-L52 HydrophobicContact CB-CG 4.06Å; V47-L52 HydrophobicContact CG1-CD1 4.12Å; V47-L52 HydrophobicContact CG1-CD2 3.3Å; V47-L52 HydrophobicContact CG1-CG 3.68Å; V47-L52 HydrophobicContact CG2-CD2 4.28Å; V47-W67 HydrophobicContact CG2-CH2 3.58Å; V47-W67 HydrophobicContact CG2-CZ3 3.46Å; V47-W67 VanDerWaalsContact CG2-CZ3 3.46Å
48A76.4Confident81.9Confident14 Ų1461 Ų6112%0.11631%0.306CS..  trans-63.1141.4-175.200000111.5P25 G50 M51P25-A48 HydrophobicContact CB-CB 3.8Å; P25-A48 HydrophobicContact CG-CB 3.78Å; A48-G50 PolarHBondContact O-N 3.33Å; A48-M51 HydrophobicContact CB-CG 4.32Å; A48-M51 HydrophobicContact CB-SD 3.85Å; A48-M51 WeakPolarHBondContact O-CB 3.34Å; A48-M51 PolarHBondContact O-N 2.94Å; A48-M51 VanDerWaalsContact O-N 3.13Å
49P69.2Low81.8Confident97 Ų9763 Ų6363%0.6332%0.317SS*.THydrogen-bonded Turntrans-54.2132.5169.3-20.630.3000110M51 D72P49-M51 VanDerWaalsContact C-N 3.33Å; P49-M51 PolarHBondContact O-N 3.32Å; P49-D72 HydrophobicContact CG-CB 4.33Å
50G62.7Low81.7Confident44 Ų4463.3 Ų63.345%0.45432%0.318SS..THydrogen-bonded Turntrans88.3-21.4-179.100000115.5A48 L52A48-G50 PolarHBondContact O-N 3.33Å; G50-L52 PolarHBondContact O-N 3.32Å
51M64.3Low81.6Confident6 Ų665.4 Ų65.43%0.0333%0.327CS..THydrogen-bonded Turntrans-64-28.6161.9-91.4171.262.200110.8I23 P25 F28 V47 A48 P49 Q53 W54I23-M51 HydrophobicContact CB-CE 3.63Å; I23-M51 HydrophobicContact CB-SD 4.3Å; I23-M51 HydrophobicContact CD1-CE 4.09Å; I23-M51 HydrophobicContact CG1-CE 4.47Å; I23-M51 HydrophobicContact CG2-CE 3.29Å; I23-M51 HydrophobicContact CG2-SD 3.94Å; P25-M51 WeakPolarHBondContact O-CG 3.48Å; F28-M51 HydrophobicContact CD2-CE 3.75Å; F28-M51 HydrophobicContact CD2-CG 4.38Å; F28-M51 HydrophobicContact CE2-CE 3.77Å; V47-M51 HydrophobicContact CG1-CB 3.83Å; V47-M51 HydrophobicContact CG1-CE 3.43Å; V47-M51 VanDerWaalsContact CG1-CE 3.43Å; V47-M51 HydrophobicContact CG1-SD 4.06Å; A48-M51 HydrophobicContact CB-CG 4.32Å; A48-M51 HydrophobicContact CB-SD 3.85Å; A48-M51 WeakPolarHBondContact O-CB 3.34Å; A48-M51 PolarHBondContact O-N 2.94Å; A48-M51 VanDerWaalsContact O-N 3.13Å; P49-M51 VanDerWaalsContact C-N 3.33Å; P49-M51 PolarHBondContact O-N 3.32Å; M51-Q53 VanDerWaalsContact C-N 3.29Å; M51-Q53 PolarHBondContact O-N 3.27Å; M51-W54 HydrophobicContact CE-CZ2 4.47Å; M51-W54 PolarHBondContact O-NE1 2.89Å
52L61.4Low81.4Confident18 Ų1862.2 Ų62.29%0.09431%0.31CS..THydrogen-bonded Turntrans-87.33.5-170.4-60175.5000113.8V47 G50 W54 S76 L78V47-L52 HydrophobicContact CB-CD1 3.94Å; V47-L52 HydrophobicContact CB-CD2 3.75Å; V47-L52 HydrophobicContact CB-CG 4.06Å; V47-L52 HydrophobicContact CG1-CD1 4.12Å; V47-L52 HydrophobicContact CG1-CD2 3.3Å; V47-L52 HydrophobicContact CG1-CG 3.68Å; V47-L52 HydrophobicContact CG2-CD2 4.28Å; G50-L52 PolarHBondContact O-N 3.32Å; L52-W54 HydrophobicContact CD2-CE3 4.46Å; L52-W54 HydrophobicContact CD2-CH2 4.25Å; L52-W54 HydrophobicContact CD2-CZ3 4.1Å; L52-W54 PolarHBondContact O-N 3.45Å; L52-S76 WeakPolarHBondContact CD1-OG 3.29Å; L52-L78 HydrophobicContact CB-CD2 4.3Å; L52-L78 HydrophobicContact CD1-CD1 4.02Å; L52-L78 HydrophobicContact CD1-CD2 4.34Å; L52-L78 HydrophobicContact CD1-CG 4.23Å; L52-L78 HydrophobicContact CD2-CD1 4.05Å; L52-L78 HydrophobicContact CD2-CD2 3.48Å; L52-L78 VanDerWaalsContact CD2-CD2 3.48Å; L52-L78 HydrophobicContact CD2-CG 4.19Å; L52-L78 HydrophobicContact CG-CD2 4.24Å
53Q65.3Low81.4Confident143 Ų14362.4 Ų62.467%0.66831%0.312SS*.  trans-80.566.5166.3-64.1-174.515.900108.7I31 M51 P55I31-Q53 WeakPolarHBondContact CD1-O 3.2Å; M51-Q53 VanDerWaalsContact C-N 3.29Å; M51-Q53 PolarHBondContact O-N 3.27Å; Q53-P55 WeakPolarHBondContact O-CD 3.26Å
54W73.9Confident81.4Confident26 Ų2662.7 Ų62.710%0.09832%0.317CS..  trans-97.879.2175.2-67.2-33.7000109.9F28 L37 L39 M51 L52 N56 I57 L60F28-W54 AromaticContact CD2-CZ2 3.9Å; F28-W54 HydrophobicContact CD2-CZ2 3.9Å; F28-W54 AromaticContact CE2-CZ2 3.9Å; F28-W54 HydrophobicContact CE2-CZ2 3.9Å; L37-W54 HydrophobicContact CD2-CD2 4.46Å; L37-W54 HydrophobicContact CD2-CE3 4.09Å; L37-W54 HydrophobicContact CD2-CH2 3.17Å; L37-W54 HydrophobicContact CD2-CZ2 3.61Å; L37-W54 HydrophobicContact CD2-CZ3 3.44Å; L37-W54 VanDerWaalsContact CD2-CZ3 3.44Å; L39-W54 HydrophobicContact CD1-CH2 4.45Å; M51-W54 HydrophobicContact CE-CZ2 4.47Å; M51-W54 PolarHBondContact O-NE1 2.89Å; L52-W54 HydrophobicContact CD2-CE3 4.46Å; L52-W54 HydrophobicContact CD2-CH2 4.25Å; L52-W54 HydrophobicContact CD2-CZ3 4.1Å; L52-W54 PolarHBondContact O-N 3.45Å; W54-N56 PolarHBondContact O-N 3.3Å; W54-I57 HydrophobicContact CB-CB 4.01Å; W54-I57 HydrophobicContact CB-CD1 3.6Å; W54-I57 HydrophobicContact CB-CG1 3.89Å; W54-I57 HydrophobicContact CD2-CD1 3.37Å; W54-I57 HydrophobicContact CE3-CD1 3.35Å; W54-I57 HydrophobicContact CG-CD1 3.53Å; W54-I57 HydrophobicContact CG-CG1 4.32Å; W54-I57 HydrophobicContact CZ3-CD1 4.12Å; W54-I57 PolarHBondContact O-N 3.31Å; W54-L60 HydrophobicContact CE3-CD1 4.34Å; W54-L60 HydrophobicContact CZ3-CD1 3.75Å; W54-L60 HydrophobicContact CZ3-CD2 4.41Å
55P68.7Low81.5Confident104 Ų10463.3 Ų63.368%0.67532%0.321SS*.THydrogen-bonded Turntrans-61-22.2-171.825.6-36.6000113.7Q53Q53-P55 WeakPolarHBondContact O-CD 3.26Å
56N78.6Confident81.6Confident98 Ų9859.5 Ų59.552%0.52431%0.311SS..THydrogen-bonded Turntrans-106.6-3.7-172.1-64.7-37.7000114.5L34 W54 R58L34-N56 CarbonylContact O-C 3.36Å; W54-N56 PolarHBondContact O-N 3.3Å; N56-R58 PolarHBondContact O-N 3.18Å
57I85.6Confident81.9Confident32 Ų3253.7 Ų53.716%0.16429%0.288CS..  trans-72.7125.3180-81.6179.7000110L34 L37 W54 L60L34-I57 HydrophobicContact CB-CG1 4.31Å; L34-I57 WeakPolarHBondContact O-CG1 3.41Å; L34-I57 PolarHBondContact O-N 2.99Å; L37-I57 HydrophobicContact CB-CD1 3.82Å; L37-I57 HydrophobicContact CD2-CD1 3.92Å; W54-I57 HydrophobicContact CB-CB 4.01Å; W54-I57 HydrophobicContact CB-CD1 3.6Å; W54-I57 HydrophobicContact CB-CG1 3.89Å; W54-I57 HydrophobicContact CD2-CD1 3.37Å; W54-I57 HydrophobicContact CE3-CD1 3.35Å; W54-I57 HydrophobicContact CG-CD1 3.53Å; W54-I57 HydrophobicContact CG-CG1 4.32Å; W54-I57 HydrophobicContact CZ3-CD1 4.12Å; W54-I57 PolarHBondContact O-N 3.31Å; I57-L60 HydrophobicContact CG2-CB 3.76Å
58R87.9Confident82.4Confident206 Ų20657.1 Ų57.178%0.77730%0.304SS*.  trans-108.2-32.8178.5-60.4-176.2-178.3-157.6-0.3111.9S35 N56S35-R58 PolarHBondContact O-N 3.14Å; N56-R58 PolarHBondContact O-N 3.18Å
59N91.3Very high83Confident63 Ų6356.6 Ų56.634%0.33730%0.299SS..EExtended strand (participates in β ladder)trans-123.7106.5-178-63.5-33.7000108.2S35 H36 L37S35-N59 PolarHBondContact O-N 3.17Å; S35-N59 VanDerWaalsContact O-N 3.07Å; H36-N59 WeakPolarHBondContact CA-O 3.49Å; H36-N59 HydrophobicContact CB-CB 4.27Å; H36-N59 WeakPolarHBondContact ND1-CB 3.25Å; L37-N59 PolarHBondContact N-O 2.94Å
60L90.9Very high83.8Confident8 Ų853.9 Ų53.94%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-121119-179177.859.1000108.6L37 W54 I57 L62 L78 P80 R81L37-L60 HydrophobicContact CB-CD1 4.25Å; L37-L60 HydrophobicContact CD2-CD1 4.11Å; L37-L60 HydrophobicContact CG-CD1 4.3Å; L37-L60 WeakPolarHBondContact O-CA 3.39Å; W54-L60 HydrophobicContact CE3-CD1 4.34Å; W54-L60 HydrophobicContact CZ3-CD1 3.75Å; W54-L60 HydrophobicContact CZ3-CD2 4.41Å; I57-L60 HydrophobicContact CG2-CB 3.76Å; L60-L62 HydrophobicContact CD1-CD1 4.4Å; L60-L62 HydrophobicContact CD1-CD2 3.89Å; L60-L62 HydrophobicContact CD1-CG 4Å; L60-L62 HydrophobicContact CD2-CD1 3.91Å; L60-L62 HydrophobicContact CD2-CG 4.3Å; L60-L62 HydrophobicContact CG-CD1 4.08Å; L60-L62 HydrophobicContact CG-CD2 4.35Å; L60-L62 HydrophobicContact CG-CG 3.9Å; L60-L78 HydrophobicContact CD2-CD2 3.92Å; L60-P80 CarbonylContact O-C 3.26Å; L60-P80 WeakPolarHBondContact O-CA 3.16Å; L60-R81 PolarHBondContact O-N 3.42Å
61H93.6Very high84.8Confident54 Ų5454.3 Ų54.325%0.2528%0.278CS..EExtended strand (participates in β ladder)trans-111.9122.1175.1-59.4171000110.1H36 L37 D38 L39 S40 D82H36-H61 AromaticContact CE1-CE1 3.92Å; L37-H61 PolarHBondContact O-N 3.44Å; D38-H61 HydrophobicContact CB-CB 4.29Å; D38-H61 IonicContact OD2-CG 3.96Å; D38-H61 IonicContact OD2-ND1 3.15Å; D38-H61 PolarHBondContact OD2-ND1 2.96Å; D38-H61 VanDerWaalsContact OD2-ND1 3.15Å; L39-H61 PolarHBondContact N-O 2.93Å; S40-H61 PolarHBondContact N-O 3.48Å; H61-D82 WeakPolarHBondContact CA-OD1 3.19Å; H61-D82 WeakPolarHBondContact CA-OD2 3.45Å; H61-D82 VanDerWaalsContact CB-OD2 3.3Å; H61-D82 WeakPolarHBondContact CB-OD2 3.37Å
62L93.2Very high85.4Confident2 Ų258.7 Ų58.71%0.0130%0.301CS..  trans-130.21.8-177.2-62.4179.3000113L39 L60 N65 W67 L78 P80 D82 A84L39-L62 HydrophobicContact CB-CD2 4.12Å; L39-L62 HydrophobicContact CD1-CD2 4.21Å; L60-L62 HydrophobicContact CD1-CD1 4.4Å; L60-L62 HydrophobicContact CD1-CD2 3.89Å; L60-L62 HydrophobicContact CD1-CG 4Å; L60-L62 HydrophobicContact CD2-CD1 3.91Å; L60-L62 HydrophobicContact CD2-CG 4.3Å; L60-L62 HydrophobicContact CG-CD1 4.08Å; L60-L62 HydrophobicContact CG-CD2 4.35Å; L60-L62 HydrophobicContact CG-CG 3.9Å; L62-N65 PolarHBondContact O-ND2 3.29Å; L62-W67 HydrophobicContact CB-CZ2 3.83Å; L62-W67 HydrophobicContact CD1-CZ2 4.29Å; L62-W67 HydrophobicContact CD2-CH2 4.23Å; L62-W67 HydrophobicContact CD2-CZ2 3.72Å; L62-W67 HydrophobicContact CG-CZ2 4.15Å; L62-W67 PolarHBondContact O-NE1 3.12Å; L62-L78 HydrophobicContact CD1-CD1 4.02Å; L62-P80 HydrophobicContact CB-CB 4.31Å; L62-P80 HydrophobicContact CD1-CB 4.27Å; L62-P80 HydrophobicContact CG-CB 4.35Å; L62-D82 VanDerWaalsContact N-CG 3.33Å; L62-D82 PolarHBondContact N-OD1 3.46Å; L62-D82 PolarHBondContact N-OD2 2.84Å; L62-A84 HydrophobicContact CB-CB 3.81Å
63A94.9Very high86.4Confident14 Ų1458.2 Ų58.212%0.11630%0.299CS..  trans-59.6158.5-17800000112.3S40 N41 N65 D82S40-A63 CarbonylContact C-O 3.52Å; S40-A63 WeakPolarHBondContact CA-O 3.39Å; S40-A63 WeakPolarHBondContact CB-O 3.35Å; N41-A63 PolarHBondContact N-O 3.44Å; A63-N65 PolarHBondContact O-ND2 3.41Å; A63-D82 HydrophobicContact CB-CB 3.98Å; A63-D82 WeakPolarHBondContact CB-OD2 3.49Å; A63-D82 PolarHBondContact N-OD2 3.32Å
64N95.5Very high87.2Confident114 Ų11454 Ų5461%0.6128%0.277SS*.SBendtrans54.855.2179.2-55.1-27.8000112.4N41 N42N41-N64 CarbonylContact C-O 3.55Å; N41-N64 WeakPolarHBondContact CA-O 3.37Å; N41-N64 HydrophobicContact CB-CB 4.42Å; N41-N64 PolarHBondContact N-O 3.27Å; N41-N64 WeakPolarHBondContact OD1-CB 3.49Å; N41-N64 PolarHBondContact OD1-ND2 3.27Å; N42-N64 PolarHBondContact N-O 2.82Å; N42-N64 VanDerWaalsContact N-O 3.1Å; N42-N64 VanDerWaalsContact O-O 3.06Å
65N95.5Very high87.5Confident14 Ų1458 Ų588%0.07530%0.303CS..SBendtrans-134163.4172.2-84.5-79.9000108.8L39 N42 E43 L44 L62 A63 W67L39-N65 PolarHBondContact O-ND2 3.34Å; N42-N65 VanDerWaalsContact CA-OD1 3.32Å; N42-N65 WeakPolarHBondContact CA-OD1 3.24Å; N42-N65 WeakPolarHBondContact CB-OD1 3.12Å; N42-N65 PolarHBondContact N-OD1 2.91Å; N42-N65 WeakPolarHBondContact O-CA 3.41Å; N42-N65 PolarHBondContact O-OD1 3.35Å; E43-N65 PolarHBondContact N-OD1 3.48Å; L44-N65 HydrophobicContact CB-CB 4.37Å; L44-N65 VanDerWaalsContact CB-OD1 3.26Å; L44-N65 WeakPolarHBondContact CB-OD1 3.16Å; L44-N65 WeakPolarHBondContact CG-OD1 2.97Å; L44-N65 PolarHBondContact N-OD1 2.94Å; L62-N65 PolarHBondContact O-ND2 3.29Å; A63-N65 PolarHBondContact O-ND2 3.41Å; N65-W67 VanDerWaalsContact C-N 3.27Å; N65-W67 HydrophobicContact CB-CD2 4.11Å; N65-W67 VanDerWaalsContact CB-CE2 3.5Å; N65-W67 HydrophobicContact CB-CG 4.25Å; N65-W67 HydrophobicContact CB-CZ2 3.83Å; N65-W67 VanDerWaalsContact CB-NE1 3.34Å; N65-W67 PolarHBondContact O-N 3.41Å; N65-W67 VanDerWaalsContact O-N 3.15Å
66D95.4Very high87.9Confident60 Ų6054.4 Ų54.432%0.32128%0.281SS..  trans-89.849.5-175.9-167.926.8000112.3L44 R45 H68 S87L44-D66 CarbonylContact O-C 3.6Å; L44-D66 VanDerWaalsContact O-C 3.26Å; L44-D66 PolarHBondContact O-N 3.06Å; R45-D66 VanDerWaalsContact CA-O 3.31Å; R45-D66 WeakPolarHBondContact CA-O 3.2Å; R45-D66 HydrophobicContact CG-CB 4Å; R45-D66 WeakPolarHBondContact CG-O 3.23Å; R45-D66 IonicContact CZ-OD2 3.52Å; R45-D66 IonicContact NE-OD2 2.85Å; R45-D66 PolarHBondContact NE-OD2 3.35Å; R45-D66 IonicContact NH2-OD2 3.32Å; R45-D66 PolarHBondContact NH2-OD2 2.96Å; D66-H68 PolarHBondContact O-N 3.32Å; D66-H68 VanDerWaalsContact O-N 3.14Å; D66-S87 WeakPolarHBondContact CA-OG 3.1Å; D66-S87 WeakPolarHBondContact OD1-CB 3.44Å; D66-S87 PolarHBondContact OD1-OG 3.27Å
67W93.1Very high87.9Confident0 Ų056.4 Ų56.40%029%0.292CS..EExtended strand (participates in β ladder)trans-61.7118.3-167.4-66.7116.9000113L44 V47 L62 N65 C69 L73 C86 S87 G88 I97L44-W67 HydrophobicContact CB-CE3 4.45Å; L44-W67 HydrophobicContact CB-CH2 3.47Å; L44-W67 VanDerWaalsContact CB-CH2 3.47Å; L44-W67 HydrophobicContact CB-CZ2 4.05Å; L44-W67 HydrophobicContact CB-CZ3 3.68Å; L44-W67 HydrophobicContact CD1-CH2 3.75Å; L44-W67 HydrophobicContact CD1-CZ2 4.23Å; L44-W67 HydrophobicContact CG-CH2 4.25Å; V47-W67 HydrophobicContact CG2-CH2 3.58Å; V47-W67 HydrophobicContact CG2-CZ3 3.46Å; V47-W67 VanDerWaalsContact CG2-CZ3 3.46Å; L62-W67 HydrophobicContact CB-CZ2 3.83Å; L62-W67 HydrophobicContact CD1-CZ2 4.29Å; L62-W67 HydrophobicContact CD2-CH2 4.23Å; L62-W67 HydrophobicContact CD2-CZ2 3.72Å; L62-W67 HydrophobicContact CG-CZ2 4.15Å; L62-W67 PolarHBondContact O-NE1 3.12Å; N65-W67 VanDerWaalsContact C-N 3.27Å; N65-W67 HydrophobicContact CB-CD2 4.11Å; N65-W67 VanDerWaalsContact CB-CE2 3.5Å; N65-W67 HydrophobicContact CB-CG 4.25Å; N65-W67 HydrophobicContact CB-CZ2 3.83Å; N65-W67 VanDerWaalsContact CB-NE1 3.34Å; N65-W67 PolarHBondContact O-N 3.41Å; N65-W67 VanDerWaalsContact O-N 3.15Å; W67-C69 PolarHBondContact O-N 3.46Å; W67-L73 HydrophobicContact CE3-CD1 4.45Å; W67-C86 CarbonylContact O-C 3.6Å; W67-C86 WeakPolarHBondContact O-CA 3.49Å; W67-S87 PolarHBondContact O-N 3.15Å; W67-G88 PolarHBondContact O-N 3.48Å; W67-I97 HydrophobicContact CB-CD1 4.07Å; W67-I97 VanDerWaalsContact CD1-CD1 3.46Å; W67-I97 HydrophobicContact CD2-CD1 4.28Å; W67-I97 HydrophobicContact CG-CD1 3.67Å
68H92.3Very high87.8Confident83 Ų8355.4 Ų55.438%0.38429%0.287SS..EExtended strand (participates in β ladder)trans-90.6100.6167.5-161.2-83.7000108.9R45 D66 S70 G88R45-H68 PolarHBondContact O-N 2.97Å; D66-H68 PolarHBondContact O-N 3.32Å; D66-H68 VanDerWaalsContact O-N 3.14Å; H68-S70 PolarHBondContact ND1-OG 3.34Å; H68-S70 PolarHBondContact O-N 3.02Å; H68-S70 PolarHBondContact O-OG 2.92Å; H68-G88 CarbonylContact C-O 3.54Å; H68-G88 WeakPolarHBondContact CA-O 3.32Å
69C89.8Confident87.7Confident2 Ų251.3 Ų51.31%0.01428%0.28CS..  trans-77.159.7-175.6-67.60000112.6W67 L73 C86 G88 L92 L100W67-C69 PolarHBondContact O-N 3.46Å; C69-L73 HydrophobicContact CB-CD2 4.26Å; C69-C86 HydrophobicContact CB-CB 3.76Å; C69-C86 WeakPolarHBondContact CB-SG 3.27Å; C69-C86 VanDerWaalsContact SG-CA 3.56Å; C69-C86 WeakPolarHBondContact SG-CB 2.97Å; C69-C86 CovalentContact SG-SG 2.01Å; C69-C86 PolarHBondContact SG-SG 3.45Å; C69-G88 PolarHBondContact N-O 3.4Å; C69-L92 HydrophobicContact CB-CD1 4.4Å; C69-L100 HydrophobicContact CB-CD1 3.91Å; C69-L100 HydrophobicContact CB-CD2 4.37Å
70S85.6Confident87.6Confident41 Ų4148.8 Ų48.829%0.28727%0.267SS..  trans-62.7169.4170.4-43.60000111.4H68 D72 L73 R74H68-S70 PolarHBondContact ND1-OG 3.34Å; H68-S70 PolarHBondContact O-N 3.02Å; H68-S70 PolarHBondContact O-OG 2.92Å; S70-D72 PolarHBondContact O-N 3.2Å; S70-L73 PolarHBondContact O-N 3.38Å; S70-R74 WeakPolarHBondContact O-CG 3.32Å; S70-R74 PolarHBondContact O-N 3.39Å
71C83.2Confident87.6Confident52 Ų5257.3 Ų57.335%0.35130%0.299SS..Hα-helixtrans-59.2-32.8175-70.80000113.4L73 R74 V75 C103C71-L73 VanDerWaalsContact C-N 3.34Å; C71-L73 PolarHBondContact O-N 3.37Å; C71-R74 PolarHBondContact O-N 3.28Å; C71-V75 WeakPolarHBondContact O-CG2 3.44Å; C71-V75 PolarHBondContact O-N 2.71Å; C71-C103 HydrophobicContact CB-CB 3.52Å; C71-C103 WeakPolarHBondContact CB-SG 2.97Å; C71-C103 WeakPolarHBondContact SG-CB 3.48Å; C71-C103 CovalentContact SG-SG 2.03Å; C71-C103 PolarHBondContact SG-SG 2.97Å
72D78.6Confident87.5Confident99 Ų9956.4 Ų56.453%0.52930%0.296SS..Hα-helixtrans-61.6-40.9178.6-56.4-43.3000112.8P49 S70 S76P49-D72 HydrophobicContact CG-CB 4.33Å; S70-D72 PolarHBondContact O-N 3.2Å; D72-S76 PolarHBondContact O-N 2.74Å; D72-S76 PolarHBondContact O-OG 3.36Å
73L82.3Confident87.4Confident7 Ų762.8 Ų62.84%0.03733%0.33CS..Hα-helixtrans-67.4-41.4176.8-163.787.9000110.7W67 C69 S70 C71 S76 L78 I97W67-L73 HydrophobicContact CE3-CD1 4.45Å; C69-L73 HydrophobicContact CB-CD2 4.26Å; S70-L73 PolarHBondContact O-N 3.38Å; C71-L73 VanDerWaalsContact C-N 3.34Å; C71-L73 PolarHBondContact O-N 3.37Å; L73-S76 WeakPolarHBondContact O-CB 3.1Å; L73-S76 PolarHBondContact O-N 3.24Å; L73-S76 VanDerWaalsContact O-N 3.16Å; L73-L78 HydrophobicContact CD1-CD1 3.77Å; L73-L78 HydrophobicContact CG-CD1 4.13Å; L73-I97 HydrophobicContact CD2-CD1 4.3Å; L73-I97 HydrophobicContact CD2-CG1 4.47Å; L73-I97 HydrophobicContact CD2-CG2 4.31Å
74R82.3Confident87.3Confident55 Ų5562.2 Ų62.221%0.20833%0.325CS..Hα-helixtrans-67.3-38.4-178-65.7168.861.4-171.82112.5S70 C71 S76 N77 L100 S101 S102 C103S70-R74 WeakPolarHBondContact O-CG 3.32Å; S70-R74 PolarHBondContact O-N 3.39Å; C71-R74 PolarHBondContact O-N 3.28Å; R74-S76 PolarHBondContact O-N 3.45Å; R74-N77 PolarHBondContact O-N 3.45Å; R74-L100 HydrophobicContact CG-CB 4.02Å; R74-L100 HydrophobicContact CG-CD1 4Å; R74-L100 HydrophobicContact CG-CG 4.48Å; R74-S101 PolarHBondContact NE-O 2.03Å; R74-S101 PolarHBondContact NH2-O 3.34Å; R74-S101 PolarHBondContact NH2-OG 3.38Å; R74-S102 PolarHBondContact NH2-O 2.89Å; R74-C103 HydrophobicContact CB-CB 4.33Å
75V79.4Confident87.2Confident109 Ų10962.2 Ų62.266%0.66132%0.32SS*.Hα-helixtrans-66-26.1175.1172.20000111.5C71 N77C71-V75 WeakPolarHBondContact O-CG2 3.44Å; C71-V75 PolarHBondContact O-N 2.71Å; V75-N77 PolarHBondContact O-N 3.1Å
76S77.8Confident87.2Confident29 Ų2961.8 Ų61.820%0.20332%0.318CS..THydrogen-bonded Turntrans-79.8-6.1-177.4-58.10000114.2L52 D72 L73 R74 L78L52-S76 WeakPolarHBondContact CD1-OG 3.29Å; D72-S76 PolarHBondContact O-N 2.74Å; D72-S76 PolarHBondContact O-OG 3.36Å; L73-S76 WeakPolarHBondContact O-CB 3.1Å; L73-S76 PolarHBondContact O-N 3.24Å; L73-S76 VanDerWaalsContact O-N 3.16Å; R74-S76 PolarHBondContact O-N 3.45Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.9Å
77N77.6Confident87.1Confident140 Ų14061.7 Ų61.775%0.74932%0.322SS*.THydrogen-bonded Turntrans47.150.1171.3-163.123.6000113.6R74 V75 N79R74-N77 PolarHBondContact O-N 3.45Å; V75-N77 PolarHBondContact O-N 3.1Å; N77-N79 PolarHBondContact O-N 3.13Å
78L83.1Confident87.1Confident12 Ų1262 Ų626%0.06333%0.326CS..  trans-65.8133.1178.3-71.2172.8000110.1L52 L60 L62 L73 S76 P80 I97L52-L78 HydrophobicContact CB-CD2 4.3Å; L52-L78 HydrophobicContact CD1-CD1 4.02Å; L52-L78 HydrophobicContact CD1-CD2 4.34Å; L52-L78 HydrophobicContact CD1-CG 4.23Å; L52-L78 HydrophobicContact CD2-CD1 4.05Å; L52-L78 HydrophobicContact CD2-CD2 3.48Å; L52-L78 VanDerWaalsContact CD2-CD2 3.48Å; L52-L78 HydrophobicContact CD2-CG 4.19Å; L52-L78 HydrophobicContact CG-CD2 4.24Å; L60-L78 HydrophobicContact CD2-CD2 3.92Å; L62-L78 HydrophobicContact CD1-CD1 4.02Å; L73-L78 HydrophobicContact CD1-CD1 3.77Å; L73-L78 HydrophobicContact CG-CD1 4.13Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.9Å; L78-P80 VanDerWaalsContact O-CD 3.27Å; L78-P80 WeakPolarHBondContact O-CD 2.98Å; L78-I97 HydrophobicContact CB-CG2 4.13Å
79N86.6Confident86.9Confident120 Ų12060 Ų6064%0.64232%0.32SS*.  trans-119.871.6174.7-169.138.6000110.3N77N77-N79 PolarHBondContact O-N 3.13Å
80P89.3Confident86.9Confident9 Ų968.6 Ų68.66%0.05836%0.36CS..  trans-60.1146.2174.124.4-29.7000110.9L60 L62 L78 D82 A84 I97L60-P80 CarbonylContact O-C 3.26Å; L60-P80 WeakPolarHBondContact O-CA 3.16Å; L62-P80 HydrophobicContact CB-CB 4.31Å; L62-P80 HydrophobicContact CD1-CB 4.27Å; L62-P80 HydrophobicContact CG-CB 4.35Å; L78-P80 VanDerWaalsContact O-CD 3.27Å; L78-P80 WeakPolarHBondContact O-CD 2.98Å; P80-D82 VanDerWaalsContact C-N 3.33Å; P80-D82 WeakPolarHBondContact CB-OD1 3.42Å; P80-A84 HydrophobicContact CB-CB 4.08Å; P80-A84 HydrophobicContact CG-CB 3.88Å; P80-I97 HydrophobicContact CG-CB 4.35Å; P80-I97 HydrophobicContact CG-CG2 4.47Å
81R91.3Very high87Confident187 Ų18773.6 Ų73.671%0.70638%0.383SS*.SBendtrans-81.5-17.3176.7-91.5-68-172.9-171.80.3113.1L60L60-R81 PolarHBondContact O-N 3.42Å
82D91.5Very high87.3Confident36 Ų3673.3 Ų73.319%0.19338%0.378CS..SBendtrans-104.6169.3179.356.1-5.2000111.9H61 L62 A63 P80 A84H61-D82 WeakPolarHBondContact CA-OD1 3.19Å; H61-D82 WeakPolarHBondContact CA-OD2 3.45Å; H61-D82 VanDerWaalsContact CB-OD2 3.3Å; H61-D82 WeakPolarHBondContact CB-OD2 3.37Å; L62-D82 VanDerWaalsContact N-CG 3.33Å; L62-D82 PolarHBondContact N-OD1 3.46Å; L62-D82 PolarHBondContact N-OD2 2.84Å; A63-D82 HydrophobicContact CB-CB 3.98Å; A63-D82 WeakPolarHBondContact CB-OD2 3.49Å; A63-D82 PolarHBondContact N-OD2 3.32Å; P80-D82 VanDerWaalsContact C-N 3.33Å; P80-D82 WeakPolarHBondContact CB-OD1 3.42Å; D82-A84 PolarHBondContact O-N 3.44Å
83D90.6Very high87.9Confident136 Ų13671.2 Ų71.273%0.72738%0.375SS*.  trans-76.555.3-178.4-63.7-27.7000111.8K85D83-K85 PolarHBondContact O-N 3.46Å
84A92.8Very high88.3Confident2 Ų273.2 Ų73.22%0.01740%0.396CS..  trans-67.4120.5176.400000110L62 P80 D82 P96 I97L62-A84 HydrophobicContact CB-CB 3.81Å; P80-A84 HydrophobicContact CB-CB 4.08Å; P80-A84 HydrophobicContact CG-CB 3.88Å; D82-A84 PolarHBondContact O-N 3.44Å; A84-P96 WeakPolarHBondContact O-CA 3.45Å; A84-I97 HydrophobicContact CB-CD1 3.86Å; A84-I97 HydrophobicContact CB-CG1 4.48Å; A84-I97 WeakPolarHBondContact O-CG1 3.48Å; A84-I97 PolarHBondContact O-N 2.81Å
85K94Very high88.8Confident114 Ų11472 Ų7250%0.49640%0.398SS..BIsolated β-bridgetrans-114.3154.3-176.6-66.1172.1-170.4-179.70111D83 A95D83-K85 PolarHBondContact O-N 3.46Å; K85-A95 CarbonylContact C-O 3.54Å; K85-A95 VanDerWaalsContact CA-O 3.29Å; K85-A95 WeakPolarHBondContact CA-O 3.47Å
86C94.1Very high89.4Confident4 Ų468.5 Ų68.53%0.02738%0.378CS..EExtended strand (participates in β ladder)trans-76.1135.2171.9-57.50000110.4W67 C69 L92 A93 G94 A95W67-C86 CarbonylContact O-C 3.6Å; W67-C86 WeakPolarHBondContact O-CA 3.49Å; C69-C86 HydrophobicContact CB-CB 3.76Å; C69-C86 WeakPolarHBondContact CB-SG 3.27Å; C69-C86 VanDerWaalsContact SG-CA 3.56Å; C69-C86 WeakPolarHBondContact SG-CB 2.97Å; C69-C86 CovalentContact SG-SG 2.01Å; C69-C86 PolarHBondContact SG-SG 3.45Å; C86-L92 WeakPolarHBondContact CB-O 3.35Å; C86-A93 CarbonylContact O-C 3.53Å; C86-A93 WeakPolarHBondContact O-CA 3.45Å; C86-G94 PolarHBondContact O-N 3.1Å; C86-A95 PolarHBondContact N-O 3.12Å; C86-A95 PolarHBondContact SG-O 2.98Å
87S95Very high89.9Confident58 Ų5867.6 Ų67.641%0.40637%0.37SS..EExtended strand (participates in β ladder)trans-90-26.9165.8-66.20000112.1D66 W67 A93D66-S87 WeakPolarHBondContact CA-OG 3.1Å; D66-S87 WeakPolarHBondContact OD1-CB 3.44Å; D66-S87 PolarHBondContact OD1-OG 3.27Å; W67-S87 PolarHBondContact O-N 3.15Å; S87-A93 WeakPolarHBondContact O-CB 2.91Å
88G91.1Very high90.3Very high8 Ų865.1 Ų65.18%0.08236%0.357CS..EExtended strand (participates in β ladder)trans-153.1170.8177.300000112.4W67 H68 C69W67-G88 PolarHBondContact O-N 3.48Å; H68-G88 CarbonylContact C-O 3.54Å; H68-G88 WeakPolarHBondContact CA-O 3.32Å; C69-G88 PolarHBondContact N-O 3.4Å
89P89.6Confident90.2Very high40 Ų4071.6 Ų71.626%0.2639%0.387SS..SBendcis-65.4164.9-7.628.8-36000112.4N91 L92 A93P89-N91 PolarHBondContact O-N 3.28Å; P89-L92 HydrophobicContact CG-CD1 4.18Å; P89-L92 HydrophobicContact CG-CG 4.49Å; P89-L92 CarbonylContact O-C 3.51Å; P89-L92 WeakPolarHBondContact O-CA 3.12Å; P89-L92 PolarHBondContact O-N 2.84Å; P89-A93 PolarHBondContact O-N 3Å; P89-A93 VanDerWaalsContact O-N 3.1Å
90E88.6Confident89.9Confident182 Ų18267.3 Ų67.385%0.8536%0.364SS*.G310 helixtrans-46.5-39.1-174.2-71.6-176.2163.400114L92 A93E90-L92 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact O-N 3.12Å; E90-A93 PolarHBondContact O-N 2.74Å
91N87.9Confident89.2Confident146 Ų14670.8 Ų70.878%0.78139%0.389SS*.G310 helixtrans-63.9-17.1179.8-32.3-56.4000114P89P89-N91 PolarHBondContact O-N 3.28Å
92L88.9Confident88.1Confident46 Ų4666.6 Ų66.624%0.24139%0.388CS..G310 helixtrans-122.51.1-177.7-64.4175.2000111.7C69 C86 P89 E90 G94 A95 L100C69-L92 HydrophobicContact CB-CD1 4.4Å; C86-L92 WeakPolarHBondContact CB-O 3.35Å; P89-L92 HydrophobicContact CG-CD1 4.18Å; P89-L92 HydrophobicContact CG-CG 4.49Å; P89-L92 CarbonylContact O-C 3.51Å; P89-L92 WeakPolarHBondContact O-CA 3.12Å; P89-L92 PolarHBondContact O-N 2.84Å; E90-L92 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact O-N 3.12Å; L92-G94 PolarHBondContact O-N 3.23Å; L92-A95 WeakPolarHBondContact O-CB 3.47Å; L92-A95 PolarHBondContact O-N 2.8Å; L92-L100 HydrophobicContact CD1-CD2 4.19Å; L92-L100 HydrophobicContact CD2-CD2 4.16Å
93A92.1Very high87.2Confident56 Ų5666.2 Ų66.246%0.46339%0.388SS..THydrogen-bonded Turntrans-60131.1179.200000110.6C86 S87 P89 E90 A95C86-A93 CarbonylContact O-C 3.53Å; C86-A93 WeakPolarHBondContact O-CA 3.45Å; S87-A93 WeakPolarHBondContact O-CB 2.91Å; P89-A93 PolarHBondContact O-N 3Å; P89-A93 VanDerWaalsContact O-N 3.1Å; E90-A93 PolarHBondContact O-N 2.74Å; A93-A95 VanDerWaalsContact C-N 3.26Å; A93-A95 PolarHBondContact O-N 3.35Å
94G91.5Very high85.8Confident48 Ų4863.4 Ų63.450%0.49538%0.379SS..THydrogen-bonded Turntrans81.4-10.9-174.200000115.3C86 L92C86-G94 PolarHBondContact O-N 3.1Å; L92-G94 PolarHBondContact O-N 3.23Å
95A91.8Very high84.2Confident29 Ų2969.8 Ų69.824%0.2441%0.412CS..  trans-69.3140.7177.800000110.8K85 C86 L92 A93K85-A95 CarbonylContact C-O 3.54Å; K85-A95 VanDerWaalsContact CA-O 3.29Å; K85-A95 WeakPolarHBondContact CA-O 3.47Å; C86-A95 PolarHBondContact N-O 3.12Å; C86-A95 PolarHBondContact SG-O 2.98Å; L92-A95 WeakPolarHBondContact O-CB 3.47Å; L92-A95 PolarHBondContact O-N 2.8Å; A93-A95 VanDerWaalsContact C-N 3.26Å; A93-A95 PolarHBondContact O-N 3.35Å
96P91.6Very high82.6Confident37 Ų3770 Ų7024%0.2442%0.417CS..BIsolated β-bridgetrans-79.4142.3179.836.5-36.5000110.5A84 N98 E99A84-P96 WeakPolarHBondContact O-CA 3.45Å; P96-N98 VanDerWaalsContact C-N 3.29Å; P96-N98 VanDerWaalsContact CB-OD1 3.24Å; P96-N98 WeakPolarHBondContact CB-OD1 3.3Å; P96-N98 PolarHBondContact O-N 3.33Å; P96-E99 HydrophobicContact CG-CB 3.98Å; P96-E99 HydrophobicContact CG-CG 3.97Å; P96-E99 PolarHBondContact O-N 2.92Å
97I89.4Confident81Confident9 Ų971.3 Ų71.35%0.04643%0.432CS..G310 helixtrans-66.3-32.2-170.2-68.7174.1000112.4W67 L73 L78 P80 A84 E99 L100W67-I97 HydrophobicContact CB-CD1 4.07Å; W67-I97 VanDerWaalsContact CD1-CD1 3.46Å; W67-I97 HydrophobicContact CD2-CD1 4.28Å; W67-I97 HydrophobicContact CG-CD1 3.67Å; L73-I97 HydrophobicContact CD2-CD1 4.3Å; L73-I97 HydrophobicContact CD2-CG1 4.47Å; L73-I97 HydrophobicContact CD2-CG2 4.31Å; L78-I97 HydrophobicContact CB-CG2 4.13Å; P80-I97 HydrophobicContact CG-CB 4.35Å; P80-I97 HydrophobicContact CG-CG2 4.47Å; A84-I97 HydrophobicContact CB-CD1 3.86Å; A84-I97 HydrophobicContact CB-CG1 4.48Å; A84-I97 WeakPolarHBondContact O-CG1 3.48Å; A84-I97 PolarHBondContact O-N 2.81Å; I97-E99 VanDerWaalsContact C-N 3.28Å; I97-E99 PolarHBondContact O-N 2.01Å; I97-L100 HydrophobicContact CB-CD1 4.3Å; I97-L100 HydrophobicContact CG1-CD1 4.4Å; I97-L100 HydrophobicContact CG2-CD1 4.21Å; I97-L100 WeakPolarHBondContact O-CD1 3.2Å; I97-L100 PolarHBondContact O-N 3.47Å
98N84.6Confident79.6Confident88 Ų8871.1 Ų71.147%0.47144%0.439SS..G310 helixtrans-66.7-23.3178.461.2-17000113.9P96P96-N98 VanDerWaalsContact C-N 3.29Å; P96-N98 VanDerWaalsContact CB-OD1 3.24Å; P96-N98 WeakPolarHBondContact CB-OD1 3.3Å; P96-N98 PolarHBondContact O-N 3.33Å
99E81.9Confident78.8Confident148 Ų14875.2 Ų75.269%0.69246%0.458SS*.G310 helixtrans-102.58.8-177.4-63.6175.7-166.100112.8P96 I97 S101P96-E99 HydrophobicContact CG-CB 3.98Å; P96-E99 HydrophobicContact CG-CG 3.97Å; P96-E99 PolarHBondContact O-N 2.92Å; I97-E99 VanDerWaalsContact C-N 3.28Å; I97-E99 PolarHBondContact O-N 2.01Å; E99-S101 PolarHBondContact O-N 2.8Å
100L80.1Confident78.4Confident31 Ų3177.2 Ų77.216%0.16247%0.466CS..PPolyproline II helixtrans-69.2122.8178.4-69.2166.7000110.6C69 R74 L92 I97C69-L100 HydrophobicContact CB-CD1 3.91Å; C69-L100 HydrophobicContact CB-CD2 4.37Å; R74-L100 HydrophobicContact CG-CB 4.02Å; R74-L100 HydrophobicContact CG-CD1 4Å; R74-L100 HydrophobicContact CG-CG 4.48Å; L92-L100 HydrophobicContact CD1-CD2 4.19Å; L92-L100 HydrophobicContact CD2-CD2 4.16Å; I97-L100 HydrophobicContact CB-CD1 4.3Å; I97-L100 HydrophobicContact CG1-CD1 4.4Å; I97-L100 HydrophobicContact CG2-CD1 4.21Å; I97-L100 WeakPolarHBondContact O-CD1 3.2Å; I97-L100 PolarHBondContact O-N 3.47Å
101S74.1Confident78.1Confident82 Ų8273.7 Ų73.757%0.57345%0.452SS*.PPolyproline II helixtrans-58.4153.7172.953.90000111.6R74 E99 C103R74-S101 PolarHBondContact NE-O 2.03Å; R74-S101 PolarHBondContact NH2-O 3.34Å; R74-S101 PolarHBondContact NH2-OG 3.38Å; E99-S101 PolarHBondContact O-N 2.8Å; S101-C103 PolarHBondContact O-N 3.21Å
102S69.4Low78.1Confident99 Ų9969.5 Ų69.569%0.69243%0.433SS*.PPolyproline II helixtrans-61.3129175.2-38.50000110.6R74 S104R74-S102 PolarHBondContact NH2-O 2.89Å; S102-S104 PolarHBondContact O-N 3.37Å; S102-S104 VanDerWaalsContact O-N 3.1Å
103C73Confident78.2Confident28 Ų2874.1 Ų74.119%0.18945%0.451CS..  trans-77.997.2172.1-179.30000109.4C71 R74 S101C71-C103 HydrophobicContact CB-CB 3.52Å; C71-C103 WeakPolarHBondContact CB-SG 2.97Å; C71-C103 WeakPolarHBondContact SG-CB 3.48Å; C71-C103 CovalentContact SG-SG 2.03Å; C71-C103 PolarHBondContact SG-SG 2.97Å; R74-C103 HydrophobicContact CB-CB 4.33Å; S101-C103 PolarHBondContact O-N 3.21Å
104S60.1Low78.2Confident77 Ų7776.6 Ų76.654%0.53846%0.457SS..  trans-92.1104.7171.8-58.40000109.5S102 L106 G107S102-S104 PolarHBondContact O-N 3.37Å; S102-S104 VanDerWaalsContact O-N 3.1Å; S104-L106 PolarHBondContact O-N 3.34Å; S104-L106 VanDerWaalsContact O-N 3.13Å; S104-G107 PolarHBondContact O-N 2.96Å
105I60.3Low78.3Confident136 Ų13679.2 Ų79.270%0.69746%0.459SS*.Hα-helixtrans-52.9-32.4170-61.1170.3000110.4G107 G108 L109I105-G107 VanDerWaalsContact C-N 3.35Å; I105-G107 PolarHBondContact O-N 2.77Å; I105-G108 PolarHBondContact O-N 3.47Å; I105-L109 HydrophobicContact CG2-CD1 4.4Å; I105-L109 PolarHBondContact O-N 2.76Å
106L58.7Low78.5Confident118 Ų11881.7 Ų81.762%0.61847%0.471SS*.Hα-helixtrans-63.9-35.5175.8-16565000112.7S104 G108 L109 L110S104-L106 PolarHBondContact O-N 3.34Å; S104-L106 VanDerWaalsContact O-N 3.13Å; L106-G108 VanDerWaalsContact C-N 3.34Å; L106-G108 PolarHBondContact O-N 3.2Å; L106-L109 PolarHBondContact O-N 3.46Å; L106-L110 HydrophobicContact CD1-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CD2-CD1 4.11Å; L106-L110 HydrophobicContact CG-CD1 3.68Å; L106-L110 HydrophobicContact CG-CG 3.89Å; L106-L110 VanDerWaalsContact O-CB 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.2Å; L106-L110 WeakPolarHBondContact O-CG 3.33Å; L106-L110 PolarHBondContact O-N 2.99Å
107G61Low78.7Confident32 Ų3284.6 Ų84.633%0.3348%0.484SS..Hα-helixtrans-64.4-38179.600000112.8S104 I105 I111S104-G107 PolarHBondContact O-N 2.96Å; I105-G107 VanDerWaalsContact C-N 3.35Å; I105-G107 PolarHBondContact O-N 2.77Å; G107-I111 WeakPolarHBondContact O-CG1 3.43Å
108G66.5Low79.1Confident54 Ų5490 Ų9056%0.55751%0.507SS*.Hα-helixtrans-73-25.5178.600000114.3I105 L106 P112I105-G108 PolarHBondContact O-N 3.47Å; L106-G108 VanDerWaalsContact C-N 3.34Å; L106-G108 PolarHBondContact O-N 3.2Å; G108-P112 WeakPolarHBondContact O-CD 3.47Å; G108-P112 VanDerWaalsContact O-CG 3.23Å; G108-P112 WeakPolarHBondContact O-CG 3.19Å
109L73.4Confident79.7Confident93 Ų9391 Ų9149%0.48751%0.511SS..Hα-helixtrans-92.3-34.7176.6-72.2169.6000112.2I105 L106 I111 P112 F113I105-L109 HydrophobicContact CG2-CD1 4.4Å; I105-L109 PolarHBondContact O-N 2.76Å; L106-L109 PolarHBondContact O-N 3.46Å; L109-I111 VanDerWaalsContact C-N 3.35Å; L109-I111 PolarHBondContact O-N 2.77Å; L109-P112 WeakPolarHBondContact O-CD 3.19Å; L109-P112 WeakPolarHBondContact O-CG 3.34Å; L109-F113 HydrophobicContact CB-CD2 4.17Å; L109-F113 HydrophobicContact CB-CE2 4.11Å; L109-F113 HydrophobicContact CD2-CE2 4.46Å; L109-F113 WeakPolarHBondContact O-CB 3.46Å; L109-F113 WeakPolarHBondContact O-CD2 3.37Å; L109-F113 PolarHBondContact O-N 3.04Å
110L80.7Confident80.5Confident82 Ų8288.8 Ų88.843%0.42950%0.504SS..Hα-helixtrans-60.4-43.7178.7-78.3173.4000112.1L106 F113 L114L106-L110 HydrophobicContact CD1-CD1 4.47Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CD2-CD1 4.11Å; L106-L110 HydrophobicContact CG-CD1 3.68Å; L106-L110 HydrophobicContact CG-CG 3.89Å; L106-L110 VanDerWaalsContact O-CB 3.26Å; L106-L110 WeakPolarHBondContact O-CB 3.2Å; L106-L110 WeakPolarHBondContact O-CG 3.33Å; L106-L110 PolarHBondContact O-N 2.99Å; L110-F113 PolarHBondContact O-N 3.41Å; L110-L114 WeakPolarHBondContact O-CB 3.17Å; L110-L114 WeakPolarHBondContact O-CG 3.22Å; L110-L114 PolarHBondContact O-N 3.15Å
111I83.6Confident81.3Confident108 Ų10891.8 Ų91.855%0.55452%0.519SS*.Hα-helixtrans-58.2-53.7-179.6-62.7167.9000111.7G107 L109 F113 L114 L115G107-I111 WeakPolarHBondContact O-CG1 3.43Å; L109-I111 VanDerWaalsContact C-N 3.35Å; L109-I111 PolarHBondContact O-N 2.77Å; I111-F113 PolarHBondContact O-N 2.87Å; I111-L114 PolarHBondContact O-N 2.97Å; I111-L115 HydrophobicContact CG2-CD1 4.23Å; I111-L115 WeakPolarHBondContact O-CG 3.12Å; I111-L115 PolarHBondContact O-N 2.8Å
112P88.1Confident82.4Confident59 Ų5991.8 Ų91.838%0.38351%0.512SS..Hα-helixtrans-64.5-36.4176.822.3-31000112.7G108 L109 L114 L115 V116G108-P112 WeakPolarHBondContact O-CD 3.47Å; G108-P112 VanDerWaalsContact O-CG 3.23Å; G108-P112 WeakPolarHBondContact O-CG 3.19Å; L109-P112 WeakPolarHBondContact O-CD 3.19Å; L109-P112 WeakPolarHBondContact O-CG 3.34Å; P112-L114 PolarHBondContact O-N 3.31Å; P112-L115 PolarHBondContact O-N 3.16Å; P112-V116 WeakPolarHBondContact O-CB 3.36Å; P112-V116 VanDerWaalsContact O-CG2 3.25Å; P112-V116 WeakPolarHBondContact O-CG2 3.04Å; P112-V116 PolarHBondContact O-N 3.32Å
113F90.6Very high83.8Confident142 Ų14289.1 Ų89.162%0.62350%0.496SS*.Hα-helixtrans-61.5-43.1174.2-82-63.6000112.5L109 L110 I111 V116 L117L109-F113 HydrophobicContact CB-CD2 4.17Å; L109-F113 HydrophobicContact CB-CE2 4.11Å; L109-F113 HydrophobicContact CD2-CE2 4.46Å; L109-F113 WeakPolarHBondContact O-CB 3.46Å; L109-F113 WeakPolarHBondContact O-CD2 3.37Å; L109-F113 PolarHBondContact O-N 3.04Å; L110-F113 PolarHBondContact O-N 3.41Å; I111-F113 PolarHBondContact O-N 2.87Å; F113-V116 PolarHBondContact O-N 3.21Å; F113-L117 WeakPolarHBondContact O-CB 3.46Å; F113-L117 PolarHBondContact O-N 2.81Å
114L92.1Very high84.9Confident109 Ų10993 Ų9357%0.57152%0.515SS*.Hα-helixtrans-66.1-40.1177.1-70.6175.2000111.7L110 I111 P112 L117 F118L110-L114 WeakPolarHBondContact O-CB 3.17Å; L110-L114 WeakPolarHBondContact O-CG 3.22Å; L110-L114 PolarHBondContact O-N 3.15Å; I111-L114 PolarHBondContact O-N 2.97Å; P112-L114 PolarHBondContact O-N 3.31Å; L114-L117 PolarHBondContact O-N 2.89Å; L114-F118 WeakPolarHBondContact O-CB 3.47Å; L114-F118 PolarHBondContact O-N 2.94Å
115L93.8Very high86.7Confident103 Ų10393.2 Ų93.254%0.53951%0.513SS..Hα-helixtrans-63.7-44174.9-70.8178.1000111.6I111 P112 F118 I119I111-L115 HydrophobicContact CG2-CD1 4.23Å; I111-L115 WeakPolarHBondContact O-CG 3.12Å; I111-L115 PolarHBondContact O-N 2.8Å; P112-L115 PolarHBondContact O-N 3.16Å; L115-F118 PolarHBondContact O-N 3.26Å; L115-I119 WeakPolarHBondContact O-CD1 3.49Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.26Å; L115-I119 PolarHBondContact O-N 3.07Å
116V96Very high88.3Confident81 Ų8192.1 Ų92.149%0.49151%0.507SS..Hα-helixtrans-62.4-44.6176.4171.10000111P112 F113 F118 I119 L120P112-V116 WeakPolarHBondContact O-CB 3.36Å; P112-V116 VanDerWaalsContact O-CG2 3.25Å; P112-V116 WeakPolarHBondContact O-CG2 3.04Å; P112-V116 PolarHBondContact O-N 3.32Å; F113-V116 PolarHBondContact O-N 3.21Å; V116-F118 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 3.42Å; V116-I119 PolarHBondContact O-N 2.88Å; V116-L120 HydrophobicContact CG1-CD1 4.13Å; V116-L120 WeakPolarHBondContact O-CG 3.32Å; V116-L120 PolarHBondContact O-N 3.37Å
117L96.1Very high90.1Very high98 Ų9891.3 Ų91.351%0.51350%0.503SS..Hα-helixtrans-60.1-44.1176.6-178.664.9000111.6F113 L114 L120 L121F113-L117 WeakPolarHBondContact O-CB 3.46Å; F113-L117 PolarHBondContact O-N 2.81Å; L114-L117 PolarHBondContact O-N 2.89Å; L117-L120 PolarHBondContact O-N 2.79Å; L117-L121 HydrophobicContact CG-CD1 4.43Å; L117-L121 WeakPolarHBondContact O-CG 3.31Å; L117-L121 PolarHBondContact O-N 3.49Å
118F97.3Very high91.6Very high121 Ų12192.1 Ų92.153%0.53151%0.506SS..Hα-helixtrans-63.2-43.8177.7-176.9-105000112.1L114 L115 V116 L120 L121 L122L114-F118 WeakPolarHBondContact O-CB 3.47Å; L114-F118 PolarHBondContact O-N 2.94Å; L115-F118 PolarHBondContact O-N 3.26Å; V116-F118 VanDerWaalsContact C-N 3.34Å; V116-F118 PolarHBondContact O-N 3.42Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 3.42Å; F118-L121 PolarHBondContact O-N 3.26Å; F118-L122 HydrophobicContact CD1-CD1 3.85Å; F118-L122 HydrophobicContact CD1-CG 4.32Å; F118-L122 HydrophobicContact CE1-CD1 3.35Å; F118-L122 HydrophobicContact CE1-CG 4Å; F118-L122 HydrophobicContact CZ-CD1 3.84Å; F118-L122 HydrophobicContact CZ-CD2 4.23Å; F118-L122 HydrophobicContact CZ-CG 4.11Å; F118-L122 WeakPolarHBondContact O-CG 3.41Å; F118-L122 PolarHBondContact O-N 3Å
119I97.5Very high92.8Very high109 Ų10994.5 Ų94.556%0.55951%0.506SS*.Hα-helixtrans-61.5-42.1176.2-68.1164.1000110.9L115 V116 L122 A123L115-I119 WeakPolarHBondContact O-CD1 3.49Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.26Å; L115-I119 PolarHBondContact O-N 3.07Å; V116-I119 PolarHBondContact O-N 2.88Å; I119-L122 PolarHBondContact O-N 3.35Å; I119-A123 WeakPolarHBondContact O-CB 3.48Å; I119-A123 PolarHBondContact O-N 2.92Å
120L97.6Very high93.5Very high103 Ų10392.6 Ų92.654%0.53950%0.503SS..Hα-helixtrans-63-42.6176.4-74.8170.9000112V116 L117 F118 A123 L124V116-L120 HydrophobicContact CG1-CD1 4.13Å; V116-L120 WeakPolarHBondContact O-CG 3.32Å; V116-L120 PolarHBondContact O-N 3.37Å; L117-L120 PolarHBondContact O-N 2.79Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 3.42Å; L120-A123 PolarHBondContact O-N 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 3.27Å
121L97.8Very high93.7Very high94 Ų9492.7 Ų92.749%0.49251%0.51SS..Hα-helixtrans-62.6-44.6175.7-71.6172.5000111.5L117 F118 A123 L124 V125L117-L121 HydrophobicContact CG-CD1 4.43Å; L117-L121 WeakPolarHBondContact O-CG 3.31Å; L117-L121 PolarHBondContact O-N 3.49Å; F118-L121 PolarHBondContact O-N 3.26Å; L121-A123 VanDerWaalsContact C-N 3.34Å; L121-A123 PolarHBondContact O-N 3.32Å; L121-L124 PolarHBondContact O-N 2.98Å; L121-V125 VanDerWaalsContact O-CG2 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.02Å
122L97.7Very high93.9Very high81 Ų8196 Ų9642%0.42452%0.52SS..Hα-helixtrans-60.9-43.1175.1-71.8-178.5000111.7F118 I119 L124 V125 I126F118-L122 HydrophobicContact CD1-CD1 3.85Å; F118-L122 HydrophobicContact CD1-CG 4.32Å; F118-L122 HydrophobicContact CE1-CD1 3.35Å; F118-L122 HydrophobicContact CE1-CG 4Å; F118-L122 HydrophobicContact CZ-CD1 3.84Å; F118-L122 HydrophobicContact CZ-CD2 4.23Å; F118-L122 HydrophobicContact CZ-CG 4.11Å; F118-L122 WeakPolarHBondContact O-CG 3.41Å; F118-L122 PolarHBondContact O-N 3Å; I119-L122 PolarHBondContact O-N 3.35Å; L122-L124 PolarHBondContact O-N 3.45Å; L122-V125 PolarHBondContact O-N 2.79Å; L122-I126 WeakPolarHBondContact O-CB 3.17Å; L122-I126 VanDerWaalsContact O-CG1 3.22Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 2.62Å
123A97.4Very high93.5Very high43 Ų43102 Ų10236%0.35554%0.54SS..Hα-helixtrans-61.1-43.7176.800000111.8I119 L120 L121 I126 L127I119-A123 WeakPolarHBondContact O-CB 3.48Å; I119-A123 PolarHBondContact O-N 2.92Å; L120-A123 PolarHBondContact O-N 3.28Å; L121-A123 VanDerWaalsContact C-N 3.34Å; L121-A123 PolarHBondContact O-N 3.32Å; A123-I126 PolarHBondContact O-N 3.15Å; A123-L127 WeakPolarHBondContact O-CB 3.45Å; A123-L127 PolarHBondContact O-N 3.1Å
124L96.8Very high92.3Very high110 Ų11098.1 Ų98.158%0.57653%0.531SS*.Hα-helixtrans-63.4-40.4175.7-71.6174.9000112.3L120 L121 L122 L127 A128L120-L124 WeakPolarHBondContact O-CG 3.33Å; L120-L124 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 2.98Å; L122-L124 PolarHBondContact O-N 3.45Å; L124-L127 PolarHBondContact O-N 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.41Å; L124-A128 PolarHBondContact O-N 2.85Å
125V97.1Very high91Very high82 Ų82101.6 Ų101.650%0.49754%0.541SS..Hα-helixtrans-64.7-45.8175171.90000110.5L121 L122 L127 A128 L129L121-V125 VanDerWaalsContact O-CG2 3.31Å; L121-V125 WeakPolarHBondContact O-CG2 3.48Å; L121-V125 PolarHBondContact O-N 3.02Å; L122-V125 PolarHBondContact O-N 2.79Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 3.22Å; V125-A128 PolarHBondContact O-N 3.46Å; V125-L129 HydrophobicContact CG1-CD1 3.94Å; V125-L129 HydrophobicContact CG1-CG 4.27Å; V125-L129 WeakPolarHBondContact O-CB 3.43Å; V125-L129 VanDerWaalsContact O-CG 3.24Å; V125-L129 WeakPolarHBondContact O-CG 2.9Å; V125-L129 PolarHBondContact O-N 2.89Å
126I95.7Very high89.3Confident112 Ų112102.6 Ų102.657%0.57455%0.554SS**Hα-helixtrans-61.4-43.8177-67.9164.2000110.5L122 A123 L129 A130L122-I126 WeakPolarHBondContact O-CB 3.17Å; L122-I126 VanDerWaalsContact O-CG1 3.22Å; L122-I126 WeakPolarHBondContact O-CG1 3.49Å; L122-I126 PolarHBondContact O-N 2.62Å; A123-I126 PolarHBondContact O-N 3.15Å; I126-L129 PolarHBondContact O-N 3.47Å; I126-A130 VanDerWaalsContact O-CB 3.25Å; I126-A130 WeakPolarHBondContact O-CB 3.3Å; I126-A130 PolarHBondContact O-N 2.88Å
127L94.6Very high87.6Confident101 Ų101104.7 Ų104.753%0.52957%0.566SS.*Hα-helixtrans-59.8-45.4173.4-91.8150.2000111.4A123 L124 V125 L129 A130 C131A123-L127 WeakPolarHBondContact O-CB 3.45Å; A123-L127 PolarHBondContact O-N 3.1Å; L124-L127 PolarHBondContact O-N 3.32Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 3.22Å; L127-L129 PolarHBondContact O-N 2.94Å; L127-A130 PolarHBondContact O-N 2.81Å; L127-C131 VanDerWaalsContact O-CB 3.29Å; L127-C131 WeakPolarHBondContact O-CB 3.33Å; L127-C131 PolarHBondContact O-N 2.84Å; L127-C131 PolarHBondContact O-SG 2.84Å
128A92.8Very high85.5Confident49 Ų49103.6 Ų103.641%0.40557%0.567SS.*Hα-helixtrans-64.5-39.9177.400000112L124 V125 C131 K132L124-A128 WeakPolarHBondContact O-CB 3.41Å; L124-A128 PolarHBondContact O-N 2.85Å; V125-A128 PolarHBondContact O-N 3.46Å; A128-C131 PolarHBondContact O-N 3.14Å; A128-K132 WeakPolarHBondContact O-CB 3.43Å; A128-K132 VanDerWaalsContact O-CG 3.26Å; A128-K132 WeakPolarHBondContact O-CG 3.34Å; A128-K132 PolarHBondContact O-N 3.02Å
129L91.8Very high83.7Confident104 Ų104103.9 Ų103.955%0.54557%0.573SS.*Hα-helixtrans-67.5-39174.5-68.2175.1000111.4V125 I126 L127 K132 K133V125-L129 HydrophobicContact CG1-CD1 3.94Å; V125-L129 HydrophobicContact CG1-CG 4.27Å; V125-L129 WeakPolarHBondContact O-CB 3.43Å; V125-L129 VanDerWaalsContact O-CG 3.24Å; V125-L129 WeakPolarHBondContact O-CG 2.9Å; V125-L129 PolarHBondContact O-N 2.89Å; I126-L129 PolarHBondContact O-N 3.47Å; L127-L129 PolarHBondContact O-N 2.94Å; L129-K132 PolarHBondContact O-N 2.9Å; L129-K133 VanDerWaalsContact O-CB 3.24Å; L129-K133 WeakPolarHBondContact O-CB 3.1Å; L129-K133 PolarHBondContact O-N 2.79Å
130A89.4Confident81.6Confident53 Ų53106.7 Ų106.744%0.43858%0.582SS.*Hα-helixtrans-66.6-39.9174.400000111.7I126 L127 K133 S134I126-A130 VanDerWaalsContact O-CB 3.25Å; I126-A130 WeakPolarHBondContact O-CB 3.3Å; I126-A130 PolarHBondContact O-N 2.88Å; L127-A130 PolarHBondContact O-N 2.81Å; A130-K133 PolarHBondContact O-N 3.39Å; A130-S134 WeakPolarHBondContact O-CB 3.18Å; A130-S134 PolarHBondContact O-N 2.96Å; A130-S134 PolarHBondContact O-OG 2.92Å
131C83.8Confident79.5Confident84 Ų84107.8 Ų107.857%0.56859%0.588SS**Hα-helixtrans-70.1-30.4173.8-71.70000112.8L127 A128 S134L127-C131 VanDerWaalsContact O-CB 3.29Å; L127-C131 WeakPolarHBondContact O-CB 3.33Å; L127-C131 PolarHBondContact O-N 2.84Å; L127-C131 PolarHBondContact O-SG 2.84Å; A128-C131 PolarHBondContact O-N 3.14Å; C131-S134 PolarHBondContact O-OG 2.97Å
132K87.6Confident77.6Confident177 Ų177112.2 Ų112.277%0.7760%0.598SS**Hα-helixtrans-73.8-31.9170.5-78179.1177.6-174.30111.8A128 L129A128-K132 WeakPolarHBondContact O-CB 3.43Å; A128-K132 VanDerWaalsContact O-CG 3.26Å; A128-K132 WeakPolarHBondContact O-CG 3.34Å; A128-K132 PolarHBondContact O-N 3.02Å; L129-K132 PolarHBondContact O-N 2.9Å
133K80.3Confident75.6Confident186 Ų186110.7 Ų110.781%0.80960%0.597SS**Hα-helixtrans-81.5-33.3179.7-171.6175.5-178.9179.10112.4L129 A130 K135L129-K133 VanDerWaalsContact O-CB 3.24Å; L129-K133 WeakPolarHBondContact O-CB 3.1Å; L129-K133 PolarHBondContact O-N 2.79Å; A130-K133 PolarHBondContact O-N 3.39Å; K133-K135 PolarHBondContact O-N 3.41Å
134S64.6Low73.6Confident60 Ų60114.7 Ų114.742%0.4261%0.607SS.*SBendtrans-72.2111.4169.664.20000108.2A130 C131A130-S134 WeakPolarHBondContact O-CB 3.18Å; A130-S134 PolarHBondContact O-N 2.96Å; A130-S134 PolarHBondContact O-OG 2.92Å; C131-S134 PolarHBondContact O-OG 2.97Å
135K65.1Low71.7Confident183 Ų183117.4 Ų117.480%0.79661%0.61SS**  trans-50.1137.3160.6-64.9179.7-179.1-179.60106.5K133 V137K133-K135 PolarHBondContact O-N 3.41Å; K135-V137 PolarHBondContact O-N 3.13Å
136P58.1Low70.2Confident123 Ų123118 Ų11880%0.79961%0.611SS**  trans-48.8115.3-173.520.7-32.9000108.2S138P136-S138 PolarHBondContact O-N 3.33Å
137V60.4Low68.8Low125 Ų125117.8 Ų117.876%0.75861%0.611SS**  trans-55.5114.4171.9173.10000104.3K135 L139K135-V137 PolarHBondContact O-N 3.13Å; V137-L139 PolarHBondContact O-N 3.35Å
138S53Low67.3Low75 Ų75118.7 Ų118.752%0.52461%0.613SS.*  trans-47.199.2-173.1-1780000110.2P136 K140 N141P136-S138 PolarHBondContact O-N 3.33Å; S138-K140 PolarHBondContact O-N 3.41Å; S138-K140 VanDerWaalsContact OG-CB 3.25Å; S138-K140 WeakPolarHBondContact OG-CB 3.13Å; S138-N141 PolarHBondContact O-N 3.27Å
139L58Low66.1Low127 Ų127121 Ų12167%0.66562%0.618SS**THydrogen-bonded Turntrans-63.4-2.8172.9-98.6157.6000111.9V137 N141 R142 A143V137-L139 PolarHBondContact O-N 3.35Å; L139-N141 PolarHBondContact O-N 3.41Å; L139-R142 HydrophobicContact CD2-CB 4.2Å; L139-R142 PolarHBondContact O-N 3.23Å; L139-A143 PolarHBondContact O-N 2.75Å
140K53.7Low64.9Low169 Ų169120.5 Ų120.574%0.73562%0.615SS**Hα-helixtrans-57.8-31173.8-128.8176.5-174-176.90112.3S138 F144S138-K140 PolarHBondContact O-N 3.41Å; S138-K140 VanDerWaalsContact OG-CB 3.25Å; S138-K140 WeakPolarHBondContact OG-CB 3.13Å; K140-F144 VanDerWaalsContact O-CB 3.28Å; K140-F144 WeakPolarHBondContact O-CB 3.45Å; K140-F144 PolarHBondContact O-N 3.4Å
141N54.9Low63.9Low125 Ų125120.8 Ų120.867%0.66862%0.617SS**Hα-helixtrans-83.8-26.5179.5-79.525.5000114.4S138 L139 Y145S138-N141 PolarHBondContact O-N 3.27Å; L139-N141 PolarHBondContact O-N 3.41Å; N141-Y145 PolarHBondContact O-N 3.18Å
142R56.1Low63Low188 Ų188119.2 Ų119.271%0.70961%0.61SS**Hα-helixtrans-81.9-34174.3-80.1172.482.7153.91.5112L139 N146L139-R142 HydrophobicContact CD2-CB 4.2Å; L139-R142 PolarHBondContact O-N 3.23Å; R142-N146 WeakPolarHBondContact O-CB 3.45Å; R142-N146 PolarHBondContact O-N 3.21Å; R142-N146 VanDerWaalsContact O-N 3.14Å
143A56.7Low62.1Low49 Ų49116.3 Ų116.341%0.40560%0.602SS.*Hα-helixtrans-63.9-44.717100000111.2L139 Y145 N146 D147L139-A143 PolarHBondContact O-N 2.75Å; A143-Y145 PolarHBondContact O-N 2.97Å; A143-N146 PolarHBondContact O-N 3.01Å; A143-D147 WeakPolarHBondContact O-CB 3.41Å; A143-D147 PolarHBondContact O-N 3.48Å
144F56Low61.1Low127 Ų127112 Ų11256%0.55759%0.588SS**Hα-helixtrans-63.4-36.9177.7-172.3-100.7000113.7K140 Q148K140-F144 VanDerWaalsContact O-CB 3.28Å; K140-F144 WeakPolarHBondContact O-CB 3.45Å; K140-F144 PolarHBondContact O-N 3.4Å; F144-Q148 VanDerWaalsContact CE1-NE2 3.25Å; F144-Q148 PolarHBondContact O-N 3.26Å
145Y56.9Low60.8Low166 Ų166113 Ų11365%0.65160%0.595SS**Hα-helixtrans-69-40.7176.2-123.9-86.2000112.2N141 A143 L149N141-Y145 PolarHBondContact O-N 3.18Å; A143-Y145 PolarHBondContact O-N 2.97Å; Y145-L149 HydrophobicContact CD1-CD1 4.21Å; Y145-L149 PolarHBondContact O-N 3.14Å
146N64.6Low60.4Low96 Ų96112.3 Ų112.351%0.51359%0.594SS.*Hα-helixtrans-71.3-38.4178.7-71.8-11.1000111.7R142 A143 L149 I150R142-N146 WeakPolarHBondContact O-CB 3.45Å; R142-N146 PolarHBondContact O-N 3.21Å; R142-N146 VanDerWaalsContact O-N 3.14Å; A143-N146 PolarHBondContact O-N 3.01Å; N146-L149 PolarHBondContact O-N 3.19Å; N146-I150 WeakPolarHBondContact O-CB 3.33Å; N146-I150 WeakPolarHBondContact O-CD1 3.25Å; N146-I150 WeakPolarHBondContact O-CG1 3.42Å; N146-I150 PolarHBondContact O-N 3.11Å
147D65.6Low60Low106 Ų106114.8 Ų114.857%0.56759%0.592SS**Hα-helixtrans-65.1-38.5176.5-75.7-20.9000112.2A143 A151A143-D147 WeakPolarHBondContact O-CB 3.41Å; A143-D147 PolarHBondContact O-N 3.48Å; D147-A151 VanDerWaalsContact O-CB 3.31Å; D147-A151 WeakPolarHBondContact O-CB 3.22Å; D147-A151 PolarHBondContact O-N 2.75Å
148Q64.4Low59.3Low121 Ų121116.9 Ų116.957%0.56559%0.594SS**Hα-helixtrans-66.7-39.6173.9-105-168.355.200112.9F144 A151 A152F144-Q148 VanDerWaalsContact CE1-NE2 3.25Å; F144-Q148 PolarHBondContact O-N 3.26Å; Q148-A151 PolarHBondContact O-N 2.97Å; Q148-A152 WeakPolarHBondContact O-CB 3.16Å; Q148-A152 PolarHBondContact O-N 3.12Å
149L66.7Low58.7Low97 Ų97121.9 Ų121.951%0.50860%0.602SS.*Hα-helixtrans-67.2-40176.7-103.2141.5000112Y145 N146 A152 L153Y145-L149 HydrophobicContact CD1-CD1 4.21Å; Y145-L149 PolarHBondContact O-N 3.14Å; N146-L149 PolarHBondContact O-N 3.19Å; L149-A152 PolarHBondContact O-N 2.95Å; L149-L153 WeakPolarHBondContact O-CB 3.17Å; L149-L153 WeakPolarHBondContact O-CD1 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 3.44Å
150I67.7Low57.9Low94 Ų94120.6 Ų120.648%0.48260%0.604SS.*Hα-helixtrans-67.6-39.7176-66.9164.3000110.3N146 L153 N154N146-I150 WeakPolarHBondContact O-CB 3.33Å; N146-I150 WeakPolarHBondContact O-CD1 3.25Å; N146-I150 WeakPolarHBondContact O-CG1 3.42Å; N146-I150 PolarHBondContact O-N 3.11Å; I150-L153 PolarHBondContact O-N 3.05Å; I150-N154 WeakPolarHBondContact O-CB 3.11Å; I150-N154 VanDerWaalsContact O-CG 3.25Å; I150-N154 PolarHBondContact O-N 2.83Å; I150-N154 PolarHBondContact O-ND2 3.35Å
151A67.1Low57.2Low58 Ų58119.9 Ų119.948%0.47960%0.601SS.*Hα-helixtrans-65.3-41.5174.400000112.8D147 Q148 N154 S155D147-A151 VanDerWaalsContact O-CB 3.31Å; D147-A151 WeakPolarHBondContact O-CB 3.22Å; D147-A151 PolarHBondContact O-N 2.75Å; Q148-A151 PolarHBondContact O-N 2.97Å; A151-N154 PolarHBondContact O-N 3.14Å; A151-S155 PolarHBondContact O-N 3.12Å
152A66Low56.3Low52 Ų52120.1 Ų120.143%0.4360%0.603SS.*Hα-helixtrans-69.6-32.4177.200000113.2Q148 L149 S155Q148-A152 WeakPolarHBondContact O-CB 3.16Å; Q148-A152 PolarHBondContact O-N 3.12Å; L149-A152 PolarHBondContact O-N 2.95Å; A152-S155 PolarHBondContact O-OG 2.8Å; A152-S155 VanDerWaalsContact O-OG 3.12Å
153L67.5Low55.2Low116 Ų116116 Ų11661%0.60760%0.601SS**Hα-helixtrans-72.5-34.3173.3-81.3162.9000112.3L149 I150L149-L153 WeakPolarHBondContact O-CB 3.17Å; L149-L153 WeakPolarHBondContact O-CD1 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.28Å; L149-L153 PolarHBondContact O-N 3.44Å; I150-L153 PolarHBondContact O-N 3.05Å
154N60.9Low54Low96 Ų96121.9 Ų121.951%0.51362%0.62SS.*Hα-helixtrans-75.7-32.8176.9-72.5-18.7000112.3I150 A151 H156 K157I150-N154 WeakPolarHBondContact O-CB 3.11Å; I150-N154 VanDerWaalsContact O-CG 3.25Å; I150-N154 PolarHBondContact O-N 2.83Å; I150-N154 PolarHBondContact O-ND2 3.35Å; A151-N154 PolarHBondContact O-N 3.14Å; N154-H156 VanDerWaalsContact C-N 3.29Å; N154-H156 PolarHBondContact O-N 3.28Å; N154-K157 PolarHBondContact O-N 2.96Å
155S57.1Low52.9Low79 Ų79121.6 Ų121.655%0.55263%0.634SS**Hα-helixtrans-69.5-23.1176.672.40000113.8A151 A152 K157A151-S155 PolarHBondContact O-N 3.12Å; A152-S155 PolarHBondContact O-OG 2.8Å; A152-S155 VanDerWaalsContact O-OG 3.12Å; S155-K157 VanDerWaalsContact C-N 3.32Å
156H56.4Low52Low169 Ų169117.9 Ų117.978%0.78263%0.63SS**THydrogen-bonded Turntrans-80-10.5174.3-95.6-76.9000113.9N154N154-H156 VanDerWaalsContact C-N 3.29Å; N154-H156 PolarHBondContact O-N 3.28Å
157K49.5Very low50.3Low176 Ų176123.5 Ų123.577%0.76565%0.646SS**THydrogen-bonded Turntrans-90.5-8.9177-89-178.5174.7176.50114N154 S155N154-K157 PolarHBondContact O-N 2.96Å; S155-K157 VanDerWaalsContact C-N 3.32Å
158E46.4Very low48.6Very low169 Ų169125.1 Ų125.179%0.7966%0.659SS**SBendtrans-106.717.3-169.8-139159.3-178.700114.6
159Y41.6Very low47.3Very low179 Ų179128.5 Ų128.570%0.70268%0.677SS**  trans-124.952.7165-142.9-93.6000110.8F161Y159-F161 HydrophobicContact CD1-CB 3.97Å; Y159-F161 AromaticContact CD1-CD2 3.99Å; Y159-F161 HydrophobicContact CD1-CD2 3.99Å; Y159-F161 HydrophobicContact CD1-CG 4.37Å; Y159-F161 HydrophobicContact CE1-CB 3.8Å; Y159-F161 AromaticContact CE1-CD2 3.25Å; Y159-F161 HydrophobicContact CE1-CD2 3.25Å; Y159-F161 AromaticContact CE1-CE2 3.99Å; Y159-F161 HydrophobicContact CE1-CE2 3.99Å; Y159-F161 AromaticContact CE1-CG 3.75Å; Y159-F161 HydrophobicContact CE1-CG 3.75Å; Y159-F161 AromaticContact CE2-CD2 3.95Å; Y159-F161 HydrophobicContact CE2-CD2 3.95Å; Y159-F161 HydrophobicContact CE2-CE2 4.2Å; Y159-F161 AromaticContact CZ-CD2 3.24Å; Y159-F161 AromaticContact CZ-CE2 3.53Å; Y159-F161 PolarHBondContact O-N 3.28Å; Y159-F161 VanDerWaalsContact O-N 3.15Å; Y159-F161 VanDerWaalsContact OH-CD2 3.32Å; Y159-F161 WeakPolarHBondContact OH-CD2 3.33Å; Y159-F161 WeakPolarHBondContact OH-CE2 3.41Å
160S40.8Very low45.6Very low100 Ų100128.3 Ų128.370%0.69968%0.684SS**  trans-73.888.3153.8-173.50000106.7D162S160-D162 PolarHBondContact O-N 2.97Å
161F37.9Very low44Very low154 Ų154128.8 Ų128.868%0.67570%0.696SS**  trans-79.9101.3174-143.4-98000108.2Y159Y159-F161 HydrophobicContact CD1-CB 3.97Å; Y159-F161 AromaticContact CD1-CD2 3.99Å; Y159-F161 HydrophobicContact CD1-CD2 3.99Å; Y159-F161 HydrophobicContact CD1-CG 4.37Å; Y159-F161 HydrophobicContact CE1-CB 3.8Å; Y159-F161 AromaticContact CE1-CD2 3.25Å; Y159-F161 HydrophobicContact CE1-CD2 3.25Å; Y159-F161 AromaticContact CE1-CE2 3.99Å; Y159-F161 HydrophobicContact CE1-CE2 3.99Å; Y159-F161 AromaticContact CE1-CG 3.75Å; Y159-F161 HydrophobicContact CE1-CG 3.75Å; Y159-F161 AromaticContact CE2-CD2 3.95Å; Y159-F161 HydrophobicContact CE2-CD2 3.95Å; Y159-F161 HydrophobicContact CE2-CE2 4.2Å; Y159-F161 AromaticContact CZ-CD2 3.24Å; Y159-F161 AromaticContact CZ-CE2 3.53Å; Y159-F161 PolarHBondContact O-N 3.28Å; Y159-F161 VanDerWaalsContact O-N 3.15Å; Y159-F161 VanDerWaalsContact OH-CD2 3.32Å; Y159-F161 WeakPolarHBondContact OH-CD2 3.33Å; Y159-F161 WeakPolarHBondContact OH-CE2 3.41Å
162D37.2Very low42.4Very low131 Ų131135 Ų13570%0.70172%0.715SS**  trans-77.2151.9166.2-92.8-44.7000111.3S160S160-D162 PolarHBondContact O-N 2.97Å
163C31.6Very low41Very low101 Ų101140.1 Ų140.168%0.68274%0.735SS**  trans89.8100.1161.4-65.50000120.5
164H33.2Very low39.2Very low173 Ų173139.1 Ų139.180%0.80174%0.738SS**  82.8113.7120.4-77.132000120
165S32.3Very low38.1Very low120 Ų120144.8 Ų144.884%0.83975%0.752SS**  trans-137.8107.8142.1175.10000109.2
166P37.8Very low37.1Very low88 Ų88147.4 Ų147.457%0.57176%0.76SS**  trans-96.9121.9162.612.37.4000110.5
167Y29.8Very low36.3Very low215 Ų215144.6 Ų144.684%0.84376%0.759SS**  trans53.3123.6156.8-52.1-78.9000120.4
168T28.2Very low35.9Very low139 Ų139141.1 Ų141.185%0.85376%0.763SS**  -143130.2113.1560000110.1
169M38.1Very low35.6Very low193 Ų193143.1 Ų143.195%0.95177%0.765SS**  trans-122.9102.9161.7-169.215896.300106.1
170S31.2Very low35.7Very low92 Ų92141.9 Ų141.964%0.64377%0.766SS**  trans-176.3117.5164.352.80000108.1
171S34Very low35.4Very low105 Ų105142 Ų14273%0.73477%0.766SS**  79.6127.390.2-48.70000114
172E33.5Very low35.8Very low187 Ų187139.6 Ų139.687%0.87477%0.767SS**  trans88.3100.7151-66.2173.2135.800120.3
173D35.1Very low35.9Very low160 Ų160139.5 Ų139.586%0.85677%0.771SS**  trans-25.4135.4132.2-110.6-28.5000113.7
174S31.3Very low36.2Very low96 Ų96140.1 Ų140.167%0.67178%0.776SS**  trans172.1123.6133.7-79.80000114
175R36.8Very low36.6Very low215 Ų215136.5 Ų136.581%0.81178%0.776SS**  56.8133.3128.2-68.9-174.7162.894.1-0.5122.5
176D35.4Very low37.3Very low133 Ų133138.9 Ų138.971%0.71178%0.779SS**  trans67.2115.9134.1-83.6-48.1000122.3
177S40.3Very low37.5Very low110 Ų110143.3 Ų143.377%0.76979%0.794SS**  58107.8118.7-55.90000119.5
178A41.8Very low38.3Very low103 Ų103138.8 Ų138.885%0.85179%0.791SS**  trans-149.7115.4140.700000111.8
179Y39.1Very low39.2Very low211 Ų211144 Ų14483%0.82780%0.795SS**  trans-44.3150.8148.3-117-128.3000109.9
180E43.7Very low39.6Very low153 Ų153146.1 Ų146.172%0.71579%0.792SS**  cis-174.315331.7-146172171.700112
181S35.6Very low40.7Very low102 Ų102147.2 Ų147.271%0.71380%0.798SS**  trans66.2158.9135.6-110.70000125
182P45.8Very low41.6Very low105 Ų105147.8 Ų147.868%0.68280%0.799SS**  -134.1-175.8-66.837.4-18.1000112.4
183T40.1Very low42.3Very low128 Ų128144.9 Ų144.979%0.78580%0.796SS**  trans78104.4171.2-130000113.5
184S38.1Very low43Very low114 Ų114142.8 Ų142.880%0.79779%0.794SS**  -157.895.356.9-65.80000109.5
185A40.2Very low43.7Very low97 Ų97143.9 Ų143.980%0.80280%0.8SS**  trans-83.1106.2162.200000107.6
186L47.2Very low44.4Very low170 Ų170139.2 Ų139.289%0.8980%0.798SS**  trans17891.1152.3-98142.7000107.9
187M42.8Very low45.5Very low181 Ų181138.3 Ų138.389%0.89280%0.799SS**SBendtrans-172.4139.2142.1-89.7-96.317500108.9
188P46.1Very low46.1Very low121 Ų121138.7 Ų138.779%0.78680%0.799SS**PPolyproline II helixtrans-73.8131.3-168.8-12.528.4000112.6R190P188-R190 PolarHBondContact O-N 3.08Å
189R47.8Very low46.3Very low249 Ų249139.6 Ų139.694%0.9480%0.796SS**PPolyproline II helixtrans-67.9125.4170.7-74.6-170.2173.9-147-0110.4
190R45Very low46.6Very low236 Ų236141.2 Ų141.289%0.89180%0.801SS**PPolyproline II helixtrans-75.9138.6161.8-74.5-176.3-170-179.73.9109.3P188P188-R190 PolarHBondContact O-N 3.08Å
191P54.4Low46.8Very low116 Ų116141.9 Ų141.975%0.75381%0.809SS**PPolyproline II helixtrans-67.2147.4176.726.2-31.5000111.1
192P53.6Low47.3Very low116 Ų116145.4 Ų145.475%0.75382%0.818SS**PPolyproline II helixtrans-64.2145.6174.727.2-33.1000110.6S194P192-S194 PolarHBondContact O-N 3.35Å
193P47.7Very low47.6Very low126 Ų126146.9 Ų146.982%0.81883%0.826SS**PPolyproline II helixtrans-65.7128.5178.126.4-31.6000110
194S49.8Very low48Very low116 Ų116148.6 Ų148.681%0.81183%0.829SS**PPolyproline II helixtrans-68.6134.9176.438.30000111.1P192P192-S194 PolarHBondContact O-N 3.35Å
195C46.1Very low48.3Very low120 Ų120149 Ų14981%0.81183%0.829SS**PPolyproline II helixtrans-57.7139.2170.9-680000110.6
196P52.3Low48.5Very low117 Ų117156.1 Ų156.176%0.7684%0.835SS**PPolyproline II helixtrans-67.9145.3175.527.3-32.2000110.8
197P58.8Low48.4Very low114 Ų114152.7 Ų152.774%0.7483%0.832SS**PPolyproline II helixtrans-71.6154.4179.530-33.9000111.5
198P52.3Low48.6Very low117 Ų117147 Ų14776%0.7682%0.82SS**PPolyproline II helixtrans-66148.5176.927.4-33.4000111.4
199P46.8Very low48.8Very low123 Ų123147.3 Ų147.380%0.79982%0.821SS**PPolyproline II helixtrans-66.7140.5179.924.9-31.1000111.9L201P199-L201 PolarHBondContact O-N 3.05Å
200R45.3Very low48.7Very low245 Ų245142 Ų14293%0.92582%0.817SS**PPolyproline II helixtrans-68124.6178.2-74.5-178.1171-177.7-2.8110.8L202R200-L202 PolarHBondContact O-N 2.87Å
201L47.5Very low48.8Very low167 Ų167139.7 Ų139.787%0.87482%0.816SS**PPolyproline II helixtrans-65.3124.3166.1-85.7127.2000109.9P199 T203P199-L201 PolarHBondContact O-N 3.05Å; L201-T203 PolarHBondContact O-N 3.31Å
202L45.3Very low48.7Very low175 Ų175140.7 Ų140.792%0.91682%0.819SS**PPolyproline II helixtrans-66.2118.8169.3-73.3163.5000109.1R200R200-L202 PolarHBondContact O-N 2.87Å
203T52.3Low48.7Very low137 Ų137139.1 Ų139.184%0.8482%0.816SS**PPolyproline II helixtrans-76125.8174.439.80000110.6L201L201-T203 PolarHBondContact O-N 3.31Å
204L47.6Very low49.1Very low164 Ų164138.6 Ų138.686%0.85981%0.813SS**PPolyproline II helixtrans-65.4140.4169.9-91.1138.4000110.7
205P45Very low49.2Very low123 Ų123138.9 Ų138.980%0.79981%0.812SS**PPolyproline II helixtrans-72.6134.7175.218.1-12.8000111.3
206R44.6Very low49.3Very low246 Ų246142.4 Ų142.493%0.92882%0.819SS**PPolyproline II helixtrans-72.9128.7178.3-172.3171.3-176.2159.8-0.4110.3G208R206-G208 PolarHBondContact O-N 3.06Å
207A45Very low49.5Very low98 Ų98142.8 Ų142.881%0.8182%0.818SS**PPolyproline II helixtrans-64.2124171.100000110.4
208G46.3Very low49.2Very low62 Ų62142.9 Ų142.964%0.63982%0.819SS**PPolyproline II helixtrans-86.8155.3170.200000111.5R206R206-G208 PolarHBondContact O-N 3.06Å
209P51.5Low49.4Very low127 Ų127143.3 Ų143.383%0.82582%0.819SS**PPolyproline II helixtrans-87.8124.3-176.533.9-28.5000110.3
210T46Very low49.3Very low137 Ų137142.2 Ų142.284%0.8481%0.812SS**  trans-131.596.1163.850.50000109.2
211H45.8Very low49.3Very low187 Ų187138.1 Ų138.187%0.86681%0.809SS**  trans-65.7120157.1-101-93.4000108.9
212V52.2Low49.1Very low137 Ų137139.7 Ų139.783%0.8381%0.809SS**  trans-138.2115.9144.8-178.60000106.3
213A54Low49.1Very low83 Ų83142.3 Ų142.369%0.68681%0.807SS**PPolyproline II helixtrans-73.4141.6177.800000110.6
214P57.1Low48.7Very low115 Ų115143.4 Ų143.475%0.74781%0.807SS**PPolyproline II helixtrans-75.8154.4171.830.7-31.8000111.1
215P51.2Low48.4Very low122 Ų122140.2 Ų140.279%0.79280%0.799SS**PPolyproline II helixtrans-68143.3176.528.5-32000111.1V217P215-V217 PolarHBondContact O-N 2.81Å
216M49.3Very low48.5Very low194 Ų194142 Ų14296%0.95680%0.802SS**PPolyproline II helixtrans-62.7124.6173.8-75.1175.1173.800110.8
217V55.6Low48.5Very low125 Ų125136.9 Ų136.976%0.75879%0.793SS**PPolyproline II helixtrans-82.6135.3163179.80000107.8P215 V219P215-V217 PolarHBondContact O-N 2.81Å; V217-V219 PolarHBondContact O-N 3.1Å
218P52.5Low48.7Very low116 Ų116137 Ų13775%0.75379%0.785SS**PPolyproline II helixtrans-63.2129.4175.8-15.928.7000110.6
219V56.7Low48.7Very low126 Ų126144 Ų14476%0.76479%0.794SS**PPolyproline II helixtrans-65.3129171.3-179.70000108.7V217 N221V217-V219 PolarHBondContact O-N 3.1Å; V219-N221 PolarHBondContact O-N 3.05Å
220P45.1Very low48.2Very low100 Ų100146.1 Ų146.165%0.64980%0.797SS**PPolyproline II helixtrans-68121.41676.23.6000108.6F222P220-F222 PolarHBondContact O-N 3.16Å
221N44.6Very low48.4Very low160 Ų160146.2 Ų146.286%0.85679%0.791SS**  trans-55.3103.6171.6-92.6-28.7000110.1V219 R223V219-N221 PolarHBondContact O-N 3.05Å; N221-R223 PolarHBondContact O-N 3.13Å
222F44.3Very low48.6Very low199 Ų199143.1 Ų143.187%0.87379%0.788SS**  trans-7289.6158.3-89.2-84.7000107.6P220 N224P220-F222 PolarHBondContact O-N 3.16Å; F222-N224 PolarHBondContact O-N 3.26Å
223R44.8Very low48.1Very low231 Ų231145.8 Ų145.887%0.87279%0.788SS**  trans-69.5114.3165.7-153.8175-137.9-173.33107N221 S225N221-R223 PolarHBondContact O-N 3.13Å; R223-S225 PolarHBondContact O-N 3.3Å
224N43.2Very low47.5Very low159 Ų159147 Ų14785%0.8579%0.791SS**  trans-50.3118.6161.1-80.1-19.2000108.9F222F222-N224 PolarHBondContact O-N 3.26Å
225S42.2Very low46.8Very low97 Ų97150.4 Ų150.468%0.67880%0.797SS**  trans-138.194.4154.7-138.20000107.1R223 D227R223-S225 PolarHBondContact O-N 3.3Å; S225-D227 PolarHBondContact O-N 3.2Å
226N46.6Very low46.9Very low161 Ų161150.4 Ų150.486%0.86180%0.795SS**  trans-63108.6148.4-74.3-29.6000106
227D45Very low47.2Very low139 Ų139146.5 Ų146.574%0.74378%0.784SS**  trans-144.6114156.5-93.1-39000108.8S225S225-D227 PolarHBondContact O-N 3.2Å
228P49.5Very low46.7Very low99 Ų99148 Ų14864%0.64379%0.786SS**  trans-77.3159.7161.933.7-27.2000108.3
229Y45.2Very low46.5Very low210 Ų210148.6 Ų148.682%0.82479%0.788SS**  trans89.896.2-175.5-57.9-78.6000115.1
230L40.8Very low46.3Very low172 Ų172153.3 Ų153.390%0.90179%0.792SS**  trans-161.3102.8132.7-101.5148.7000109.5
231I51.7Low46.4Very low138 Ų138160.2 Ų160.271%0.70882%0.822SS**  trans-81.1128.1168.9-61.1161.5000107.5
232P48.7Very low46.5Very low123 Ų123160.2 Ų160.280%0.79982%0.82SS**  trans-92.5106.5158.72.317.1000109.2S234P232-S234 PolarHBondContact O-N 3.29Å
233K42.7Very low46.6Very low193 Ų193158.2 Ų158.284%0.83982%0.817SS**  trans-64.8111.9161.1-78.6177.6174.1176.70108
234S41Very low46.7Very low107 Ų107154.1 Ų154.175%0.74881%0.814SS**  trans-87.3107.8161.6128.50000107.8P232P232-S234 PolarHBondContact O-N 3.29Å
235Q42.7Very low46.9Very low188 Ų188153.8 Ų153.888%0.87981%0.812SS**  trans-69.6125.2168.8-69.9168.2-4100108.9
236V52.2Low47.2Very low122 Ų122157.4 Ų157.474%0.73982%0.82SS**  trans-106.9128.9164.3179.70000107.4
237P56.3Low47.3Very low111 Ų111157.1 Ų157.172%0.72182%0.818SS**  trans-77.9137.8-174.529.6-31.7000112T239P237-T239 PolarHBondContact O-N 2.97Å
238I44.3Very low47.4Very low158 Ų158158.4 Ų158.481%0.8182%0.823SS**  trans-61.5118.5167.6-61.6163.8000108
239T50Low47.2Very low128 Ų128163 Ų16379%0.78584%0.837SS**  trans-113.4109.8160.5-44.40000107.4P237P237-T239 PolarHBondContact O-N 2.97Å
240R51.7Low47.4Very low225 Ų225159.1 Ų159.185%0.84984%0.838SS**  trans-67.9135.7164.4-69.3-178.3-179.5-158-0.1108.2
241L47.2Very low48Very low244 Ų244157.9 Ų157.9100%1.27783%0.832SS**  trans-1640139.8-97.4163000107.6

Retrieved 241 of 241 residues in 53.5 ms (Link to these results)

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