A0A061IFD9_CRIGR Loading...

Nucleoredoxin-like 2

AlphaFold DB , UniProt , Accession A0A061IFD9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113831229, Length 156 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
1M51.6Low84Confident204 Ų20464.5 Ų64.5100%1.00535%0.348SS*.  0126.20-158.9178.5-68.500106.1N121M1-N121 HydrophobicContact CG-CB 3.65Å; M1-N121 HydrophobicContact SD-CB 3.65Å; M1-N121 PolarHBondContact SD-ND2 3.35Å
2V61.2Low84.6Confident112 Ų11261.1 Ų61.168%0.67933%0.331SS*.  trans-83.4127.1-172.7-174.70000109.2N121V2-N121 WeakPolarHBondContact O-CA 3.28Å
3D79.7Confident84.5Confident13 Ų1364.8 Ų64.87%0.0734%0.337CS..  trans-64.5142.4176.3-169.1-51.9000110.4L5 S6 Q120D3-L5 PolarHBondContact O-N 3.2Å; D3-L5 PolarHBondContact OD1-N 3.32Å; D3-S6 VanDerWaalsContact O-CB 3.29Å; D3-S6 WeakPolarHBondContact O-CB 2.74Å; D3-S6 PolarHBondContact O-N 3.39Å; D3-Q120 CarbonylContact C-O 3.53Å; D3-Q120 VanDerWaalsContact CA-O 3.31Å; D3-Q120 WeakPolarHBondContact CA-O 3.11Å; D3-Q120 HydrophobicContact CB-CG 4.28Å; D3-Q120 WeakPolarHBondContact OD2-CG 3.28Å; D3-Q120 PolarHBondContact OD2-NE2 3.47Å
4V88.1Confident84.4Confident5 Ų570 Ų703%0.0336%0.359CS..THydrogen-bonded Turntrans-55.4-30.5176.763.10000112.7Y99 L103 Y107 V118 Q120V4-Y99 VanDerWaalsContact O-CE1 3.24Å; V4-Y99 WeakPolarHBondContact O-CE1 3.42Å; V4-Y99 PolarHBondContact O-OH 3.32Å; V4-L103 HydrophobicContact CG2-CD2 4.14Å; V4-Y107 VanDerWaalsContact CG2-OH 3.29Å; V4-Y107 WeakPolarHBondContact CG2-OH 3.41Å; V4-V118 HydrophobicContact CG1-CG2 4.43Å; V4-Q120 PolarHBondContact N-O 3.37Å
5L90.3Very high84.4Confident0 Ų067.9 Ų67.90%036%0.362CS..THydrogen-bonded Turntrans-111.923.4179.1-74159.4000111.7D3 G7 R8 L10 A20 L24 L31 V68 L93 Y99 L103D3-L5 PolarHBondContact O-N 3.2Å; D3-L5 PolarHBondContact OD1-N 3.32Å; L5-G7 PolarHBondContact O-N 2.84Å; L5-R8 WeakPolarHBondContact O-CB 3.48Å; L5-R8 WeakPolarHBondContact O-CG 3.46Å; L5-R8 PolarHBondContact O-N 3.34Å; L5-R8 VanDerWaalsContact O-N 3.13Å; L5-L10 HydrophobicContact CD1-CD1 4.49Å; L5-L10 HydrophobicContact CD1-CD2 4.39Å; L5-L10 HydrophobicContact CD2-CD2 4.47Å; L5-A20 HydrophobicContact CB-CB 3.75Å; L5-A20 WeakPolarHBondContact O-CB 3.48Å; L5-L24 HydrophobicContact CB-CD1 4.14Å; L5-L24 HydrophobicContact CD1-CD1 3.51Å; L5-L24 HydrophobicContact CG-CD1 4.42Å; L5-L31 HydrophobicContact CD1-CD2 4.29Å; L5-V68 HydrophobicContact CD1-CB 4.31Å; L5-V68 HydrophobicContact CD1-CG1 4Å; L5-V68 HydrophobicContact CD1-CG2 3.97Å; L5-L93 HydrophobicContact CD2-CD1 4.06Å; L5-Y99 HydrophobicContact CD2-CD1 3.86Å; L5-Y99 HydrophobicContact CD2-CE1 3.87Å; L5-L103 HydrophobicContact CD2-CD1 4.28Å
6S87.7Confident84.7Confident55 Ų5571.9 Ų71.939%0.38538%0.378SS..THydrogen-bonded Turntrans-59.5136.5-177.3-168.30000112.9D3 R8 E21D3-S6 VanDerWaalsContact O-CB 3.29Å; D3-S6 WeakPolarHBondContact O-CB 2.74Å; D3-S6 PolarHBondContact O-N 3.39Å; S6-R8 PolarHBondContact O-N 3.37Å; S6-E21 VanDerWaalsContact C-OE1 3.31Å; S6-E21 WeakPolarHBondContact CA-OE1 3.39Å; S6-E21 WeakPolarHBondContact CB-OE1 3.42Å; S6-E21 PolarHBondContact OG-OE1 3.38Å
7G88.3Confident85.2Confident62 Ų6272.1 Ų72.164%0.63938%0.383SS*.THydrogen-bonded Turntrans74.612.3-178.400000113.2L5 E21L5-G7 PolarHBondContact O-N 2.84Å; G7-E21 PolarHBondContact N-OE1 3.2Å
8R93.2Very high85.6Confident72 Ų7270.7 Ų70.727%0.27238%0.377SS..  trans-109.4153.7-177.6-55.5-61.2-179.4156.4-5.6111.4L5 S6 A20 D97L5-R8 WeakPolarHBondContact O-CB 3.48Å; L5-R8 WeakPolarHBondContact O-CG 3.46Å; L5-R8 PolarHBondContact O-N 3.34Å; L5-R8 VanDerWaalsContact O-N 3.13Å; S6-R8 PolarHBondContact O-N 3.37Å; R8-A20 WeakPolarHBondContact O-CB 3.43Å; R8-A20 PolarHBondContact O-N 2.91Å; R8-D97 IonicContact CZ-OD1 2.98Å; R8-D97 IonicContact CZ-OD2 2.74Å; R8-D97 IonicContact NH1-OD1 2.65Å; R8-D97 PolarHBondContact NH1-OD1 3.11Å; R8-D97 IonicContact NH1-OD2 2.63Å; R8-D97 PolarHBondContact NH1-OD2 3.26Å
9R95.1Very high86.1Confident154 Ų15472.4 Ų72.458%0.58138%0.383SS*.EExtended strand (participates in β ladder)trans-107.9135.9174.5-63.9-178.3-61.8169.1-0.5109.1V17 V18 E19 P94R9-V17 HydrophobicContact CB-CG1 3.54Å; R9-V17 HydrophobicContact CG-CG1 4.03Å; R9-V18 CarbonylContact C-O 3.55Å; R9-V18 WeakPolarHBondContact CA-O 3.22Å; R9-E19 WeakPolarHBondContact CG-OE1 3.19Å; R9-P94 WeakPolarHBondContact O-CD 3.22Å; R9-P94 WeakPolarHBondContact O-CG 3.13Å
10L95.4Very high86.4Confident0 Ų068.8 Ų68.80%036%0.364CS..EExtended strand (participates in β ladder)trans-108.4157.7177.1-57.9177.7000109.6L5 V17 V18 A20 L24 V68 L91 A92 L93L5-L10 HydrophobicContact CD1-CD1 4.49Å; L5-L10 HydrophobicContact CD1-CD2 4.39Å; L5-L10 HydrophobicContact CD2-CD2 4.47Å; L10-V17 CarbonylContact O-C 3.57Å; L10-V17 WeakPolarHBondContact O-CA 2.9Å; L10-V18 HydrophobicContact CB-CG2 4.07Å; L10-V18 PolarHBondContact N-O 3Å; L10-V18 PolarHBondContact O-N 3.14Å; L10-A20 HydrophobicContact CD1-CB 3.95Å; L10-A20 HydrophobicContact CG-CB 3.98Å; L10-L24 HydrophobicContact CD1-CD1 4.17Å; L10-L24 HydrophobicContact CD1-CD2 4.28Å; L10-L24 HydrophobicContact CD1-CG 4.28Å; L10-V68 HydrophobicContact CD1-CG1 4.41Å; L10-V68 HydrophobicContact CD1-CG2 4Å; L10-V68 HydrophobicContact CD2-CG1 3.91Å; L10-L91 HydrophobicContact CB-CB 4.17Å; L10-L91 HydrophobicContact CB-CD1 4.41Å; L10-L91 HydrophobicContact CD1-CB 4.07Å; L10-L91 HydrophobicContact CD1-CD1 3.62Å; L10-L91 HydrophobicContact CD1-CG 4.47Å; L10-A92 CarbonylContact C-O 3.6Å; L10-A92 WeakPolarHBondContact CA-O 3.33Å; L10-L93 HydrophobicContact CD2-CB 4.43Å; L10-L93 HydrophobicContact CD2-CD1 3.96Å
11L93.9Very high86.5Confident32 Ų3268.4 Ų68.417%0.16836%0.36CS..EExtended strand (participates in β ladder)trans-103.6134.8176-58.7177.3000109.2E16 V17 L91 A92 P94L11-E16 CarbonylContact C-O 3.52Å; L11-E16 VanDerWaalsContact CA-O 3.3Å; L11-E16 WeakPolarHBondContact CA-O 3.47Å; L11-V17 HydrophobicContact CD2-CG2 3.82Å; L11-L91 CarbonylContact O-C 3.46Å; L11-L91 VanDerWaalsContact O-CA 3.32Å; L11-L91 WeakPolarHBondContact O-CA 3.4Å; L11-A92 PolarHBondContact N-O 3.45Å; L11-A92 PolarHBondContact O-N 3.38Å; L11-P94 HydrophobicContact CD1-CB 4.13Å; L11-P94 HydrophobicContact CD1-CG 4.22Å; L11-P94 HydrophobicContact CD2-CG 4.4Å; L11-P94 HydrophobicContact CG-CB 4.45Å; L11-P94 HydrophobicContact CG-CG 3.99Å
12T90.6Very high88.2Confident24 Ų2462.2 Ų62.215%0.14734%0.341CS..  trans-75.6173.4163.178.60000110E14 G15 E16 V18 L91T12-E14 VanDerWaalsContact CB-OE2 3.29Å; T12-E14 WeakPolarHBondContact CB-OE2 3.47Å; T12-E14 PolarHBondContact O-N 2.86Å; T12-E14 PolarHBondContact OG1-N 3.11Å; T12-E14 PolarHBondContact OG1-OE2 2.84Å; T12-G15 PolarHBondContact O-N 2.84Å; T12-E16 HydrophobicContact CG2-CB 4.06Å; T12-E16 PolarHBondContact N-O 3Å; T12-E16 PolarHBondContact OG1-N 2.66Å; T12-V18 HydrophobicContact CG2-CG1 4.03Å; T12-L91 HydrophobicContact CG2-CD2 4.15Å
13R83.6Confident89.5Confident109 Ų10957.8 Ų57.841%0.41132%0.316SS..THydrogen-bonded Turntrans-59.1-32173.9-177.5179.8179.5-1731.1112.3G15 R84R13-G15 PolarHBondContact O-N 3.48Å; R13-R84 PolarHBondContact NH2-O 3.34Å
14E83.6Confident89.9Confident138 Ų13857.2 Ų57.265%0.64531%0.313SS*.THydrogen-bonded Turntrans-78-9.2179.9-58.768.1-143.900112.4T12 E16T12-E14 VanDerWaalsContact CB-OE2 3.29Å; T12-E14 WeakPolarHBondContact CB-OE2 3.47Å; T12-E14 PolarHBondContact O-N 2.86Å; T12-E14 PolarHBondContact OG1-N 3.11Å; T12-E14 PolarHBondContact OG1-OE2 2.84Å; E14-E16 HydrophobicContact CB-CG 4.46Å
15G83.4Confident89.8Confident39 Ų3962.7 Ų62.740%0.40234%0.338SS..SBendtrans88.25.9-176.600000113.9T12 R13T12-G15 PolarHBondContact O-N 2.84Å; R13-G15 PolarHBondContact O-N 3.48Å
16E89.4Confident89.4Confident131 Ų13165.6 Ų65.661%0.61235%0.354SS*.  trans-69.1144.6173.7-66.9-63.8132.100110.5L11 T12 E14L11-E16 CarbonylContact C-O 3.52Å; L11-E16 VanDerWaalsContact CA-O 3.3Å; L11-E16 WeakPolarHBondContact CA-O 3.47Å; T12-E16 HydrophobicContact CG2-CB 4.06Å; T12-E16 PolarHBondContact N-O 3Å; T12-E16 PolarHBondContact OG1-N 2.66Å; E14-E16 HydrophobicContact CB-CG 4.46Å
17V92.8Very high89.3Confident76 Ų7664.9 Ų64.946%0.46134%0.344SS..EExtended strand (participates in β ladder)trans-98.7125.9-177-174.10000109.6R9 L10 L11R9-V17 HydrophobicContact CB-CG1 3.54Å; R9-V17 HydrophobicContact CG-CG1 4.03Å; L10-V17 CarbonylContact O-C 3.57Å; L10-V17 WeakPolarHBondContact O-CA 2.9Å; L11-V17 HydrophobicContact CD2-CG2 3.82Å
18V93.8Very high89.4Confident47 Ų4762 Ų6229%0.28531%0.313SS..EExtended strand (participates in β ladder)trans-124.9148.6177-58.70000111.8R9 L10 T12 A23 L91R9-V18 CarbonylContact C-O 3.55Å; R9-V18 WeakPolarHBondContact CA-O 3.22Å; L10-V18 HydrophobicContact CB-CG2 4.07Å; L10-V18 PolarHBondContact N-O 3Å; L10-V18 PolarHBondContact O-N 3.14Å; T12-V18 HydrophobicContact CG2-CG1 4.03Å; V18-A23 HydrophobicContact CG2-CB 4.01Å; V18-L91 HydrophobicContact CG2-CD1 4.38Å; V18-L91 HydrophobicContact CG2-CD2 3.91Å
19E93.7Very high89.4Confident103 Ų10358.5 Ų58.548%0.48130%0.301SS..EExtended strand (participates in β ladder)trans-71.8127.9174.6-62-58.3131.300110.3R9 E21 A22 A23R9-E19 WeakPolarHBondContact CG-OE1 3.19Å; E19-E21 VanDerWaalsContact C-N 3.35Å; E19-E21 PolarHBondContact O-N 3.46Å; E19-A22 HydrophobicContact CB-CB 4.48Å; E19-A22 PolarHBondContact O-N 3.31Å; E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 2.92Å
20A92.2Very high89.4Confident0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-61-43.2-175.400000111.9L5 R8 L10 A22 A23 L24L5-A20 HydrophobicContact CB-CB 3.75Å; L5-A20 WeakPolarHBondContact O-CB 3.48Å; R8-A20 WeakPolarHBondContact O-CB 3.43Å; R8-A20 PolarHBondContact O-N 2.91Å; L10-A20 HydrophobicContact CD1-CB 3.95Å; L10-A20 HydrophobicContact CG-CB 3.98Å; A20-A22 VanDerWaalsContact C-N 3.33Å; A20-A22 PolarHBondContact O-N 3.11Å; A20-A23 PolarHBondContact O-N 3.3Å; A20-L24 HydrophobicContact CB-CD1 4.4Å; A20-L24 VanDerWaalsContact O-CB 3.3Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 VanDerWaalsContact O-CG 3.22Å; A20-L24 WeakPolarHBondContact O-CG 3.23Å; A20-L24 PolarHBondContact O-N 3.21Å
21E88.6Confident89.6Confident61 Ų6151.2 Ų51.229%0.28527%0.273SS..Hα-helixtrans-57.6-45.3-179.1-74.489.516000112.6S6 G7 E19 Q25S6-E21 VanDerWaalsContact C-OE1 3.31Å; S6-E21 WeakPolarHBondContact CA-OE1 3.39Å; S6-E21 WeakPolarHBondContact CB-OE1 3.42Å; S6-E21 PolarHBondContact OG-OE1 3.38Å; G7-E21 PolarHBondContact N-OE1 3.2Å; E19-E21 VanDerWaalsContact C-N 3.35Å; E19-E21 PolarHBondContact O-N 3.46Å; E21-Q25 WeakPolarHBondContact O-CB 3.49Å; E21-Q25 PolarHBondContact O-N 3.08Å
22A87.1Confident89.8Confident74 Ų7449.7 Ų49.761%0.61227%0.265SS*.Hα-helixtrans-70.7-40.2179.700000111.2E19 A20E19-A22 HydrophobicContact CB-CB 4.48Å; E19-A22 PolarHBondContact O-N 3.31Å; A20-A22 VanDerWaalsContact C-N 3.33Å; A20-A22 PolarHBondContact O-N 3.11Å
23A88.6Confident90.1Very high19 Ų1948.6 Ų48.616%0.15726%0.258CS..Hα-helixtrans-72.9-28.8-176.400000113.3V18 E19 A20 K27 L91V18-A23 HydrophobicContact CG2-CB 4.01Å; E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 2.92Å; A20-A23 PolarHBondContact O-N 3.3Å; A23-K27 VanDerWaalsContact O-CE 3.29Å; A23-K27 WeakPolarHBondContact O-CE 3.36Å; A23-K27 PolarHBondContact O-NZ 2.98Å; A23-L91 HydrophobicContact CB-CD1 3.65Å
24L89.1Confident90.7Very high0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-104.6-2.8-175.2-54.4-176.4000114L5 L10 A20 N26 K27 V29 E66 V68 L91L5-L24 HydrophobicContact CB-CD1 4.14Å; L5-L24 HydrophobicContact CD1-CD1 3.51Å; L5-L24 HydrophobicContact CG-CD1 4.42Å; L10-L24 HydrophobicContact CD1-CD1 4.17Å; L10-L24 HydrophobicContact CD1-CD2 4.28Å; L10-L24 HydrophobicContact CD1-CG 4.28Å; A20-L24 HydrophobicContact CB-CD1 4.4Å; A20-L24 VanDerWaalsContact O-CB 3.3Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 VanDerWaalsContact O-CG 3.22Å; A20-L24 WeakPolarHBondContact O-CG 3.23Å; A20-L24 PolarHBondContact O-N 3.21Å; L24-N26 PolarHBondContact O-N 3.38Å; L24-K27 PolarHBondContact O-N 2.97Å; L24-K27 VanDerWaalsContact O-N 3.16Å; L24-V29 HydrophobicContact CB-CG2 4.05Å; L24-V29 HydrophobicContact CD1-CG1 4.35Å; L24-V29 HydrophobicContact CD1-CG2 4.17Å; L24-V29 HydrophobicContact CD2-CG2 4.19Å; L24-V29 HydrophobicContact CG-CG2 4.36Å; L24-E66 HydrophobicContact CD2-CB 3.89Å; L24-E66 HydrophobicContact CD2-CG 3.49Å; L24-E66 VanDerWaalsContact CD2-CG 3.49Å; L24-V68 HydrophobicContact CD1-CG2 4.21Å; L24-V68 HydrophobicContact CD2-CG2 3.85Å; L24-L91 HydrophobicContact CD2-CD1 4.07Å
25Q85.5Confident91.3Very high121 Ų12137.2 Ų37.257%0.56521%0.211SC*.THydrogen-bonded Turntrans-56128.9-176.4-164.6176.313.900112.4E21 K27E21-Q25 WeakPolarHBondContact O-CB 3.49Å; E21-Q25 PolarHBondContact O-N 3.08Å; Q25-K27 PolarHBondContact O-N 3.3Å
26N82.1Confident91.7Very high60 Ų6036 Ų3632%0.32120%0.199SC..THydrogen-bonded Turntrans56.829.2178.9-58.2-39.1000114L24 V150L24-N26 PolarHBondContact O-N 3.38Å; N26-V150 VanDerWaalsContact O-CG1 3.25Å; N26-V150 WeakPolarHBondContact O-CG1 3.43Å
27K86.1Confident91.7Very high41 Ų4137.1 Ų37.118%0.17820%0.197CC..SBendtrans-114.8151.2175.7-60.2-175-176.3168.40111.8A23 L24 Q25 E66A23-K27 VanDerWaalsContact O-CE 3.29Å; A23-K27 WeakPolarHBondContact O-CE 3.36Å; A23-K27 PolarHBondContact O-NZ 2.98Å; L24-K27 PolarHBondContact O-N 2.97Å; L24-K27 VanDerWaalsContact O-N 3.16Å; Q25-K27 PolarHBondContact O-N 3.3Å; K27-E66 HydrophobicContact CB-CB 4.46Å; K27-E66 HydrophobicContact CD-CB 3.69Å; K27-E66 IonicContact NZ-OE2 3.83Å; K27-E66 PolarHBondContact NZ-OE2 2.89Å
28V89.1Confident91.7Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-71.8121.2158.6179.40000107.5P64 F65 E66 V117 I125 F141 W144 V145 A148 V150V28-P64 VanDerWaalsContact CB-O 3.24Å; V28-P64 WeakPolarHBondContact CB-O 3.44Å; V28-P64 WeakPolarHBondContact CG2-O 3.48Å; V28-P64 PolarHBondContact N-O 2.84Å; V28-F65 HydrophobicContact CB-CD2 4.25Å; V28-F65 HydrophobicContact CG1-CD2 4.24Å; V28-F65 WeakPolarHBondContact O-CA 3.24Å; V28-E66 PolarHBondContact O-N 2.79Å; V28-V117 HydrophobicContact CG1-CG1 3.27Å; V28-I125 HydrophobicContact CG1-CD1 4.29Å; V28-F141 HydrophobicContact CB-CE2 4.25Å; V28-F141 HydrophobicContact CG2-CE2 4.32Å; V28-W144 HydrophobicContact CG1-CB 4.13Å; V28-V145 HydrophobicContact CG2-CG2 4.1Å; V28-A148 HydrophobicContact CG2-CB 3.71Å; V28-V150 HydrophobicContact CG2-CG2 4.27Å
29V93.7Very high91.7Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-102126.3-177.6-178.60000109.5L24 L31 V68 V117 V118L24-V29 HydrophobicContact CB-CG2 4.05Å; L24-V29 HydrophobicContact CD1-CG1 4.35Å; L24-V29 HydrophobicContact CD1-CG2 4.17Å; L24-V29 HydrophobicContact CD2-CG2 4.19Å; L24-V29 HydrophobicContact CG-CG2 4.36Å; V29-L31 HydrophobicContact CG1-CD2 4.16Å; V29-V68 HydrophobicContact CG1-CG2 4.01Å; V29-V117 WeakPolarHBondContact O-CA 3.43Å; V29-V118 HydrophobicContact CB-CG2 3.99Å; V29-V118 HydrophobicContact CG1-CG2 4.32Å; V29-V118 PolarHBondContact N-O 2.81Å; V29-V118 WeakPolarHBondContact O-CG2 3.39Å; V29-V118 PolarHBondContact O-N 2.79Å
30A96.4Very high91.7Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-105.8109.9171.600000110.6Y32 F65 E66 V67 V68 L115 V117A30-Y32 PolarHBondContact O-N 3.17Å; A30-F65 HydrophobicContact CB-CE2 3.66Å; A30-F65 HydrophobicContact CB-CZ 3.72Å; A30-E66 PolarHBondContact N-O 2.83Å; A30-V67 HydrophobicContact CB-CG2 4.2Å; A30-V67 WeakPolarHBondContact O-CA 3.32Å; A30-V68 PolarHBondContact O-N 2.91Å; A30-L115 HydrophobicContact CB-CD1 3.91Å; A30-L115 HydrophobicContact CB-CG 4.26Å; A30-V117 HydrophobicContact CB-CG2 4.39Å
31L97.8Very high91.8Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-79.1112172.1-59.1177.6000109L5 V29 F33 V68 V70 L103 Y107 L115 V116 V118L5-L31 HydrophobicContact CD1-CD2 4.29Å; V29-L31 HydrophobicContact CG1-CD2 4.16Å; L31-F33 HydrophobicContact CB-CD2 4.49Å; L31-F33 HydrophobicContact CB-CE2 3.67Å; L31-F33 HydrophobicContact CB-CZ 4.12Å; L31-V68 WeakPolarHBondContact CA-O 3.43Å; L31-V68 HydrophobicContact CD2-CB 4.08Å; L31-V70 HydrophobicContact CD2-CG2 4.43Å; L31-L103 HydrophobicContact CD1-CD2 4.05Å; L31-Y107 HydrophobicContact CD1-CD2 3.82Å; L31-Y107 HydrophobicContact CD1-CE2 3.25Å; L31-L115 WeakPolarHBondContact O-CA 3.3Å; L31-V116 PolarHBondContact N-O 2.87Å; L31-V116 PolarHBondContact O-N 3.21Å; L31-V118 HydrophobicContact CD1-CG1 4.39Å; L31-V118 HydrophobicContact CD1-CG2 4.34Å; L31-V118 HydrophobicContact CG-CG2 4.31Å
32Y97.9Very high92.1Very high0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-104109.2-177.2178.1-135.3000110.8A30 A34 F44 T45 L48 V68 F69 V70 W90 P113 L115A30-Y32 PolarHBondContact O-N 3.17Å; Y32-A34 HydrophobicContact CD1-CB 4.35Å; Y32-A34 HydrophobicContact CD2-CB 4.31Å; Y32-A34 HydrophobicContact CE1-CB 3.67Å; Y32-A34 HydrophobicContact CE2-CB 3.61Å; Y32-A34 VanDerWaalsContact OH-CB 3.31Å; Y32-A34 WeakPolarHBondContact OH-CB 3.5Å; Y32-F44 HydrophobicContact CD2-CE1 4.4Å; Y32-F44 AromaticContact CE2-CD1 3.76Å; Y32-F44 HydrophobicContact CE2-CD1 3.76Å; Y32-F44 AromaticContact CE2-CE1 3.95Å; Y32-F44 HydrophobicContact CE2-CE1 3.95Å; Y32-T45 HydrophobicContact CE1-CG2 4.24Å; Y32-T45 PolarHBondContact OH-OG1 3.24Å; Y32-L48 HydrophobicContact CD1-CD2 3.84Å; Y32-L48 HydrophobicContact CD2-CD2 3.95Å; Y32-L48 HydrophobicContact CE1-CD2 4.12Å; Y32-L48 HydrophobicContact CE2-CD2 4.23Å; Y32-L48 HydrophobicContact CG-CD2 3.75Å; Y32-V68 PolarHBondContact N-O 2.97Å; Y32-F69 AromaticContact CD1-CD2 3.74Å; Y32-F69 HydrophobicContact CD1-CD2 3.74Å; Y32-F69 HydrophobicContact CD1-CE2 4.42Å; Y32-F69 HydrophobicContact CE1-CD2 4.21Å; Y32-F69 HydrophobicContact CE1-CE2 4.49Å; Y32-F69 HydrophobicContact CG-CD2 4.45Å; Y32-F69 WeakPolarHBondContact O-CD2 3.29Å; Y32-V70 PolarHBondContact O-N 3.18Å; Y32-W90 HydrophobicContact CD1-CZ2 4.42Å; Y32-P113 HydrophobicContact CE2-CB 3.92Å; Y32-L115 HydrophobicContact CD2-CD1 3.97Å; Y32-L115 HydrophobicContact CG-CD1 4.15Å
33F97.8Very high92.4Very high1 Ų136.8 Ų36.80%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-99.2114.3177.8-56-97.5000109.4L31 V70 L103 K104 Y107 I109 I112 P113 K114 V116L31-F33 HydrophobicContact CB-CD2 4.49Å; L31-F33 HydrophobicContact CB-CE2 3.67Å; L31-F33 HydrophobicContact CB-CZ 4.12Å; F33-V70 WeakPolarHBondContact CA-O 3.41Å; F33-V70 HydrophobicContact CD1-CB 3.67Å; F33-V70 HydrophobicContact CD1-CG1 3.62Å; F33-V70 HydrophobicContact CD1-CG2 4.48Å; F33-V70 HydrophobicContact CE1-CB 3.78Å; F33-V70 HydrophobicContact CE1-CG1 3.47Å; F33-V70 VanDerWaalsContact CE1-CG1 3.47Å; F33-V70 HydrophobicContact CE1-CG2 4.2Å; F33-V70 HydrophobicContact CG-CB 4.28Å; F33-V70 HydrophobicContact CZ-CB 4.43Å; F33-V70 HydrophobicContact CZ-CG1 4.39Å; F33-V70 HydrophobicContact CZ-CG2 4.42Å; F33-L103 HydrophobicContact CE1-CB 4.04Å; F33-L103 HydrophobicContact CZ-CB 4.13Å; F33-K104 HydrophobicContact CD1-CG 3.66Å; F33-K104 HydrophobicContact CE1-CB 4.5Å; F33-K104 HydrophobicContact CE1-CG 3.69Å; F33-Y107 HydrophobicContact CZ-CD2 4.25Å; F33-I109 HydrophobicContact CB-CG2 3.92Å; F33-I109 HydrophobicContact CD1-CB 4.48Å; F33-I109 HydrophobicContact CD1-CG1 3.99Å; F33-I109 HydrophobicContact CD1-CG2 4.2Å; F33-I109 HydrophobicContact CD2-CD1 3.69Å; F33-I109 HydrophobicContact CD2-CG1 3.94Å; F33-I109 HydrophobicContact CD2-CG2 4.43Å; F33-I109 HydrophobicContact CE1-CG1 3.86Å; F33-I109 HydrophobicContact CE2-CD1 3.63Å; F33-I109 HydrophobicContact CE2-CG1 3.83Å; F33-I109 HydrophobicContact CG-CD1 4.22Å; F33-I109 HydrophobicContact CG-CG1 4.02Å; F33-I109 HydrophobicContact CG-CG2 3.94Å; F33-I109 HydrophobicContact CZ-CD1 4.09Å; F33-I109 HydrophobicContact CZ-CG1 3.79Å; F33-I112 HydrophobicContact CB-CG2 4.14Å; F33-P113 CarbonylContact O-C 3.59Å; F33-P113 VanDerWaalsContact O-CA 3.27Å; F33-P113 WeakPolarHBondContact O-CA 3.42Å; F33-K114 HydrophobicContact CB-CB 4.33Å; F33-K114 HydrophobicContact CD2-CB 4.47Å; F33-K114 PolarHBondContact N-O 3.26Å; F33-K114 PolarHBondContact O-N 3.1Å; F33-V116 HydrophobicContact CE2-CB 4.49Å; F33-V116 HydrophobicContact CE2-CG2 4.13Å
34A97Very high92.8Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-156.4170.1-177.100000111.5Y32 F69 A72 F82 P113Y32-A34 HydrophobicContact CD1-CB 4.35Å; Y32-A34 HydrophobicContact CD2-CB 4.31Å; Y32-A34 HydrophobicContact CE1-CB 3.67Å; Y32-A34 HydrophobicContact CE2-CB 3.61Å; Y32-A34 VanDerWaalsContact OH-CB 3.31Å; Y32-A34 WeakPolarHBondContact OH-CB 3.5Å; A34-F69 HydrophobicContact CB-CE2 3.9Å; A34-F69 WeakPolarHBondContact O-CE2 3.21Å; A34-A72 PolarHBondContact O-N 3.27Å; A34-F82 HydrophobicContact CB-CE1 4.29Å; A34-F82 HydrophobicContact CB-CZ 4.38Å; A34-P113 HydrophobicContact CB-CB 4.35Å
35A95.6Very high93.1Very high9 Ų935.9 Ų35.97%0.07418%0.183CC..  trans-144.7145.6175.900000110.1R37 C38 S41 A72 D73 I112A35-R37 VanDerWaalsContact C-N 3.32Å; A35-R37 PolarHBondContact O-N 2.93Å; A35-C38 HydrophobicContact CB-CB 4.26Å; A35-C38 WeakPolarHBondContact O-CB 3.25Å; A35-C38 PolarHBondContact O-N 3.27Å; A35-C38 VanDerWaalsContact O-N 3.13Å; A35-S41 VanDerWaalsContact O-CB 3.31Å; A35-S41 WeakPolarHBondContact O-CB 3.34Å; A35-A72 HydrophobicContact CB-CB 4.19Å; A35-D73 VanDerWaalsContact CA-OD1 3.31Å; A35-D73 WeakPolarHBondContact CA-OD1 3.46Å; A35-D73 WeakPolarHBondContact CB-OD1 3.42Å; A35-I112 HydrophobicContact CB-CD1 3.72Å
36G91Very high93.5Very high14 Ų1432.7 Ų32.714%0.14417%0.172CC..THydrogen-bonded Turntrans-65.6-31.6-177.700000113.9C38 R42 D73G36-C38 VanDerWaalsContact C-N 3.26Å; G36-C38 PolarHBondContact O-N 3.48Å; G36-R42 WeakPolarHBondContact O-CD 3.24Å; G36-R42 WeakPolarHBondContact O-CG 3.41Å; G36-R42 PolarHBondContact O-NE 3.35Å; G36-D73 PolarHBondContact N-OD1 3.1Å
37R90.6Very high94.1Very high153 Ų15332.9 Ų32.958%0.57717%0.173SC*.THydrogen-bonded Turntrans-83.76.3175.6-67.7-165-68.5-120.3-5.1114.6A35 R74 E78A35-R37 VanDerWaalsContact C-N 3.32Å; A35-R37 PolarHBondContact O-N 2.93Å; R37-R74 VanDerWaalsContact NH2-CD 3.31Å; R37-E78 IonicContact CZ-OE1 3.12Å; R37-E78 IonicContact CZ-OE2 2.98Å; R37-E78 IonicContact NE-OE2 2.87Å; R37-E78 IonicContact NH1-OE1 3.55Å; R37-E78 PolarHBondContact NH1-OE1 3.22Å; R37-E78 IonicContact NH1-OE2 3.7Å; R37-E78 IonicContact NH2-OE1 2.63Å; R37-E78 PolarHBondContact NH2-OE1 3.04Å; R37-E78 IonicContact NH2-OE2 3.79Å; R37-E78 PolarHBondContact NH2-OE2 3.25Å
38C92.8Very high94.5Very high23 Ų2331 Ų3116%0.15516%0.164CC..  trans-99.8108.3177177.20000109.5A35 G36 S41 R42 I112A35-C38 HydrophobicContact CB-CB 4.26Å; A35-C38 WeakPolarHBondContact O-CB 3.25Å; A35-C38 PolarHBondContact O-N 3.27Å; A35-C38 VanDerWaalsContact O-N 3.13Å; G36-C38 VanDerWaalsContact C-N 3.26Å; G36-C38 PolarHBondContact O-N 3.48Å; C38-S41 WeakPolarHBondContact CB-OG 3.37Å; C38-S41 WeakPolarHBondContact O-CA 3.37Å; C38-S41 VanDerWaalsContact O-CB 3.24Å; C38-S41 WeakPolarHBondContact O-CB 3.43Å; C38-S41 PolarHBondContact O-N 3.01Å; C38-S41 PolarHBondContact SG-OG 3.17Å; C38-R42 PolarHBondContact O-N 2.97Å; C38-R42 VanDerWaalsContact O-N 3.07Å; C38-I112 HydrophobicContact CB-CD1 4.04Å; C38-I112 HydrophobicContact CB-CG1 4.5Å
39S93.6Very high94.7Very high75 Ų7531.8 Ų31.852%0.52417%0.17SC..Hα-helixtrans-52-48.8179.2152.40000112.9S41 R42 D43S39-S41 PolarHBondContact O-N 3.35Å; S39-S41 VanDerWaalsContact O-N 3.1Å; S39-R42 PolarHBondContact O-N 2.86Å; S39-R42 VanDerWaalsContact O-N 3.08Å; S39-D43 VanDerWaalsContact O-CG 3.27Å; S39-D43 PolarHBondContact O-N 3.37Å
40P94.3Very high94.6Very high57 Ų5736.6 Ų36.637%0.3720%0.196SC..Hα-helixtrans-58.1-28.7175.7-28.535.2000114.5F44 P113P40-F44 PolarHBondContact O-N 3.42Å; P40-P113 HydrophobicContact CB-CG 4.43Å; P40-P113 VanDerWaalsContact O-CG 3.32Å; P40-P113 WeakPolarHBondContact O-CG 3.4Å
41S94.3Very high94.5Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-69.9-52.2175.1-62.50000110.1A35 C38 S39 D43 F44 T45A35-S41 VanDerWaalsContact O-CB 3.31Å; A35-S41 WeakPolarHBondContact O-CB 3.34Å; C38-S41 WeakPolarHBondContact CB-OG 3.37Å; C38-S41 WeakPolarHBondContact O-CA 3.37Å; C38-S41 VanDerWaalsContact O-CB 3.24Å; C38-S41 WeakPolarHBondContact O-CB 3.43Å; C38-S41 PolarHBondContact O-N 3.01Å; C38-S41 PolarHBondContact SG-OG 3.17Å; S39-S41 PolarHBondContact O-N 3.35Å; S39-S41 VanDerWaalsContact O-N 3.1Å; S41-D43 PolarHBondContact O-N 3.26Å; S41-F44 PolarHBondContact O-N 2.92Å; S41-T45 PolarHBondContact O-N 3.28Å; S41-T45 PolarHBondContact O-OG1 3.46Å
42R93.5Very high94.2Very high96 Ų9637.8 Ų37.836%0.36220%0.201SC..Hα-helixtrans-57.2-33.8177.4-58-177.7101.5-110.14.5112.6G36 C38 S39 P46 F82 E85 L86G36-R42 WeakPolarHBondContact O-CD 3.24Å; G36-R42 WeakPolarHBondContact O-CG 3.41Å; G36-R42 PolarHBondContact O-NE 3.35Å; C38-R42 PolarHBondContact O-N 2.97Å; C38-R42 VanDerWaalsContact O-N 3.07Å; S39-R42 PolarHBondContact O-N 2.86Å; S39-R42 VanDerWaalsContact O-N 3.08Å; R42-P46 WeakPolarHBondContact O-CD 3.27Å; R42-F82 HydrophobicContact CG-CE2 4.37Å; R42-E85 IonicContact CZ-OE1 3.9Å; R42-E85 IonicContact CZ-OE2 2.99Å; R42-E85 IonicContact NH2-OE1 3.74Å; R42-E85 PolarHBondContact NH2-OE1 3.16Å; R42-E85 IonicContact NH2-OE2 2.65Å; R42-E85 PolarHBondContact NH2-OE2 3.32Å; R42-L86 HydrophobicContact CB-CD1 3.93Å; R42-L86 HydrophobicContact CG-CD1 3.97Å
43D94.6Very high93.8Very high104 Ų10441.5 Ų41.556%0.55622%0.223SC*.Hα-helixtrans-71.8-29.4176.5-62.1-15.6000112.9S39 S41S39-D43 VanDerWaalsContact O-CG 3.27Å; S39-D43 PolarHBondContact O-N 3.37Å; S41-D43 PolarHBondContact O-N 3.26Å
44F95.5Very high93.4Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-92.5-28.6-177178.7-113.8000113.1Y32 P40 S41 L47 L48 P113 L115 R130 I133Y32-F44 HydrophobicContact CD2-CE1 4.4Å; Y32-F44 AromaticContact CE2-CD1 3.76Å; Y32-F44 HydrophobicContact CE2-CD1 3.76Å; Y32-F44 AromaticContact CE2-CE1 3.95Å; Y32-F44 HydrophobicContact CE2-CE1 3.95Å; P40-F44 PolarHBondContact O-N 3.42Å; S41-F44 PolarHBondContact O-N 2.92Å; F44-L47 HydrophobicContact CD2-CB 4.45Å; F44-L47 HydrophobicContact CD2-CD2 4.07Å; F44-L47 HydrophobicContact CE2-CD2 4.04Å; F44-L47 PolarHBondContact O-N 3.12Å; F44-L48 HydrophobicContact CE1-CB 4.17Å; F44-L48 HydrophobicContact CE1-CD2 4.2Å; F44-L48 HydrophobicContact CZ-CB 4.23Å; F44-L48 HydrophobicContact CZ-CD1 4.47Å; F44-L48 PolarHBondContact O-N 3.35Å; F44-P113 HydrophobicContact CB-CG 4.07Å; F44-P113 HydrophobicContact CD1-CB 4.22Å; F44-P113 HydrophobicContact CD1-CG 4.37Å; F44-L115 HydrophobicContact CE1-CB 4.43Å; F44-L115 HydrophobicContact CZ-CD2 4.33Å; F44-R130 HydrophobicContact CD1-CG 4.25Å; F44-R130 HydrophobicContact CD2-CG 3.81Å; F44-R130 HydrophobicContact CE1-CB 4.1Å; F44-R130 HydrophobicContact CE1-CG 4.13Å; F44-R130 HydrophobicContact CE2-CB 4.13Å; F44-R130 HydrophobicContact CE2-CG 3.68Å; F44-R130 HydrophobicContact CG-CG 4.09Å; F44-R130 HydrophobicContact CZ-CB 3.82Å; F44-R130 HydrophobicContact CZ-CG 3.85Å; F44-I133 HydrophobicContact CE2-CG2 4.45Å; F44-I133 HydrophobicContact CZ-CD1 4.23Å
45T95.3Very high92.9Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-57.9-45.4-177.1-430000113.2Y32 S41 L47 L48 C49 F82 L86 W90Y32-T45 HydrophobicContact CE1-CG2 4.24Å; Y32-T45 PolarHBondContact OH-OG1 3.24Å; S41-T45 PolarHBondContact O-N 3.28Å; S41-T45 PolarHBondContact O-OG1 3.46Å; T45-L47 VanDerWaalsContact C-N 3.33Å; T45-L47 PolarHBondContact O-N 3.24Å; T45-L48 WeakPolarHBondContact O-CB 3.26Å; T45-L48 PolarHBondContact O-N 3.06Å; T45-L48 VanDerWaalsContact O-N 3.08Å; T45-C49 PolarHBondContact O-N 3.25Å; T45-C49 PolarHBondContact O-SG 3.32Å; T45-C49 VanDerWaalsContact O-SG 3.35Å; T45-F82 HydrophobicContact CG2-CZ 4.12Å; T45-F82 VanDerWaalsContact OG1-CZ 3.24Å; T45-F82 WeakPolarHBondContact OG1-CZ 3.07Å; T45-L86 HydrophobicContact CG2-CB 3.9Å; T45-L86 WeakPolarHBondContact CG2-O 3.21Å; T45-W90 HydrophobicContact CG2-CH2 4.44Å; T45-W90 HydrophobicContact CG2-CZ2 4.2Å
46P94.3Very high92.3Very high53 Ų5349 Ų4934%0.34426%0.261SS..Hα-helixtrans-58.2-44.2177.1-25.435.1000112.5R42 L48 C49 D50 L86R42-P46 WeakPolarHBondContact O-CD 3.27Å; P46-L48 VanDerWaalsContact C-N 3.29Å; P46-L48 PolarHBondContact O-N 2.85Å; P46-C49 WeakPolarHBondContact O-CB 3.22Å; P46-C49 PolarHBondContact O-N 3.05Å; P46-C49 VanDerWaalsContact O-N 3.08Å; P46-D50 PolarHBondContact O-N 3.09Å; P46-L86 HydrophobicContact CG-CD2 4.37Å
47L94.4Very high91.7Very high65 Ų6552.3 Ų52.334%0.3428%0.282SS..Hα-helixtrans-61.3-38.3176.6179.566000112.2F44 T45 F51 I133 R134F44-L47 HydrophobicContact CD2-CB 4.45Å; F44-L47 HydrophobicContact CD2-CD2 4.07Å; F44-L47 HydrophobicContact CE2-CD2 4.04Å; F44-L47 PolarHBondContact O-N 3.12Å; T45-L47 VanDerWaalsContact C-N 3.33Å; T45-L47 PolarHBondContact O-N 3.24Å; L47-F51 WeakPolarHBondContact O-CB 3Å; L47-F51 PolarHBondContact O-N 2.84Å; L47-F51 VanDerWaalsContact O-N 3.11Å; L47-I133 HydrophobicContact CD2-CG2 4.08Å; L47-I133 HydrophobicContact CG-CG2 3.98Å; L47-R134 HydrophobicContact CD2-CG 3.55Å
48L95.6Very high90.4Very high0 Ų051.5 Ų51.50%029%0.285CS..Hα-helixtrans-69.4-36.6175.7-176.462000111.4Y32 F44 T45 P46 F51 Y52 V67 W90 L115 I133Y32-L48 HydrophobicContact CD1-CD2 3.84Å; Y32-L48 HydrophobicContact CD2-CD2 3.95Å; Y32-L48 HydrophobicContact CE1-CD2 4.12Å; Y32-L48 HydrophobicContact CE2-CD2 4.23Å; Y32-L48 HydrophobicContact CG-CD2 3.75Å; F44-L48 HydrophobicContact CE1-CB 4.17Å; F44-L48 HydrophobicContact CE1-CD2 4.2Å; F44-L48 HydrophobicContact CZ-CB 4.23Å; F44-L48 HydrophobicContact CZ-CD1 4.47Å; F44-L48 PolarHBondContact O-N 3.35Å; T45-L48 WeakPolarHBondContact O-CB 3.26Å; T45-L48 PolarHBondContact O-N 3.06Å; T45-L48 VanDerWaalsContact O-N 3.08Å; P46-L48 VanDerWaalsContact C-N 3.29Å; P46-L48 PolarHBondContact O-N 2.85Å; L48-F51 HydrophobicContact CD1-CD1 4.45Å; L48-F51 PolarHBondContact O-N 2.86Å; L48-Y52 WeakPolarHBondContact O-CB 3.24Å; L48-Y52 PolarHBondContact O-N 3.27Å; L48-V67 HydrophobicContact CD1-CG2 4.46Å; L48-V67 HydrophobicContact CD2-CG1 4.27Å; L48-W90 HydrophobicContact CB-CH2 3.88Å; L48-W90 HydrophobicContact CB-CZ3 4.31Å; L48-W90 HydrophobicContact CD2-CH2 3.71Å; L48-W90 HydrophobicContact CD2-CZ2 4.07Å; L48-W90 HydrophobicContact CD2-CZ3 4.19Å; L48-W90 HydrophobicContact CG-CH2 3.53Å; L48-W90 HydrophobicContact CG-CZ2 4.38Å; L48-W90 HydrophobicContact CG-CZ3 3.68Å; L48-W90 WeakPolarHBondContact O-CZ3 3.29Å; L48-L115 HydrophobicContact CD1-CD1 4.37Å; L48-L115 HydrophobicContact CD1-CD2 3.95Å; L48-L115 HydrophobicContact CD2-CD1 4.02Å; L48-I133 HydrophobicContact CD1-CD1 3.64Å
49C93.1Very high88.9Confident17 Ų1751.8 Ų51.812%0.11529%0.289CS..Hα-helixtrans-61.2-47.6174.8-72.80000112T45 P46 Y52 T53 L86 G88 W90T45-C49 PolarHBondContact O-N 3.25Å; T45-C49 PolarHBondContact O-SG 3.32Å; T45-C49 VanDerWaalsContact O-SG 3.35Å; P46-C49 WeakPolarHBondContact O-CB 3.22Å; P46-C49 PolarHBondContact O-N 3.05Å; P46-C49 VanDerWaalsContact O-N 3.08Å; C49-Y52 PolarHBondContact O-N 3.22Å; C49-T53 VanDerWaalsContact O-CB 3.3Å; C49-T53 WeakPolarHBondContact O-CB 3.36Å; C49-T53 PolarHBondContact O-N 2.76Å; C49-T53 PolarHBondContact O-OG1 3.09Å; C49-L86 PolarHBondContact SG-O 2.89Å; C49-G88 PolarHBondContact SG-N 2.79Å; C49-W90 HydrophobicContact CB-CH2 4.34Å; C49-W90 HydrophobicContact CB-CZ3 4.43Å; C49-W90 WeakPolarHBondContact SG-CH2 3.43Å
50D92.3Very high87.1Confident101 Ų10160 Ų6054%0.5431%0.308SS..Hα-helixtrans-60.4-50.1176.7-62-21.5000110P46 Y52 T53 E54P46-D50 PolarHBondContact O-N 3.09Å; D50-Y52 VanDerWaalsContact C-N 3.35Å; D50-Y52 PolarHBondContact O-N 2.8Å; D50-T53 PolarHBondContact O-N 2.95Å; D50-E54 VanDerWaalsContact O-CG 3.28Å; D50-E54 WeakPolarHBondContact O-CG 3.31Å; D50-E54 PolarHBondContact O-N 3.23Å
51F92.8Very high85.1Confident9 Ų968.8 Ų68.84%0.03933%0.334CS..Hα-helixtrans-56.3-45.5177.3179.1-90000113L47 L48 L55 F65 I133 G137 L138 F141 W144L47-F51 WeakPolarHBondContact O-CB 3Å; L47-F51 PolarHBondContact O-N 2.84Å; L47-F51 VanDerWaalsContact O-N 3.11Å; L48-F51 HydrophobicContact CD1-CD1 4.45Å; L48-F51 PolarHBondContact O-N 2.86Å; F51-L55 HydrophobicContact CD1-CD1 3.9Å; F51-L55 HydrophobicContact CE1-CD1 3.28Å; F51-L55 HydrophobicContact CE1-CG 4.35Å; F51-L55 HydrophobicContact CE2-CD1 4.32Å; F51-L55 HydrophobicContact CZ-CD1 3.54Å; F51-L55 HydrophobicContact CZ-CG 4.47Å; F51-L55 WeakPolarHBondContact O-CG 3.32Å; F51-L55 PolarHBondContact O-N 2.89Å; F51-F65 AromaticContact CD1-CE1 3.93Å; F51-F65 HydrophobicContact CD1-CE1 3.93Å; F51-F65 HydrophobicContact CD1-CZ 4.29Å; F51-F65 HydrophobicContact CE1-CD1 4.37Å; F51-F65 AromaticContact CE1-CE1 3.71Å; F51-F65 HydrophobicContact CE1-CE1 3.71Å; F51-F65 HydrophobicContact CE1-CE2 4.49Å; F51-F65 AromaticContact CE1-CZ 3.79Å; F51-F65 HydrophobicContact CE1-CZ 3.79Å; F51-I133 HydrophobicContact CB-CG2 4.24Å; F51-I133 HydrophobicContact CD1-CD1 3.87Å; F51-I133 HydrophobicContact CD1-CG1 4.37Å; F51-I133 HydrophobicContact CD2-CD1 4.37Å; F51-I133 HydrophobicContact CD2-CG1 4.05Å; F51-I133 HydrophobicContact CD2-CG2 4.01Å; F51-I133 HydrophobicContact CE1-CD1 4.03Å; F51-I133 HydrophobicContact CE1-CG1 4.31Å; F51-I133 HydrophobicContact CE2-CG1 3.98Å; F51-I133 HydrophobicContact CG-CD1 4.05Å; F51-I133 HydrophobicContact CG-CG1 4.24Å; F51-I133 HydrophobicContact CG-CG2 4.19Å; F51-I133 HydrophobicContact CZ-CD1 4.34Å; F51-I133 HydrophobicContact CZ-CG1 4.11Å; F51-G137 WeakPolarHBondContact CE2-O 3.27Å; F51-L138 HydrophobicContact CD2-CD2 3.77Å; F51-L138 HydrophobicContact CE2-CD2 4.03Å; F51-L138 HydrophobicContact CG-CD2 4.39Å; F51-F141 HydrophobicContact CZ-CB 4.2Å; F51-W144 HydrophobicContact CE1-CH2 4.27Å; F51-W144 AromaticContact CE1-CZ3 3.79Å; F51-W144 HydrophobicContact CE1-CZ3 3.79Å; F51-W144 AromaticContact CZ-CH2 4Å; F51-W144 HydrophobicContact CZ-CH2 4Å; F51-W144 AromaticContact CZ-CZ3 3.67Å; F51-W144 HydrophobicContact CZ-CZ3 3.67Å
52Y92.5Very high83.2Confident17 Ų1773.8 Ų73.87%0.06737%0.367CS..Hα-helixtrans-65.7-44.2177.7175.2-98.3000111.6L48 C49 D50 L55 V56 F65 E66 V67 A89 W90L48-Y52 WeakPolarHBondContact O-CB 3.24Å; L48-Y52 PolarHBondContact O-N 3.27Å; C49-Y52 PolarHBondContact O-N 3.22Å; D50-Y52 VanDerWaalsContact C-N 3.35Å; D50-Y52 PolarHBondContact O-N 2.8Å; Y52-L55 PolarHBondContact O-N 3.38Å; Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CD2-CG2 4.02Å; Y52-V56 HydrophobicContact CE1-CG2 3.92Å; Y52-V56 HydrophobicContact CE2-CG2 3.66Å; Y52-V56 HydrophobicContact CG-CG2 4.29Å; Y52-V56 WeakPolarHBondContact O-CB 3.47Å; Y52-V56 VanDerWaalsContact O-CG2 3.29Å; Y52-V56 WeakPolarHBondContact O-CG2 3.49Å; Y52-V56 PolarHBondContact O-N 2.93Å; Y52-F65 AromaticContact CD2-CD1 3.83Å; Y52-F65 HydrophobicContact CD2-CD1 3.83Å; Y52-F65 AromaticContact CD2-CE1 3.96Å; Y52-F65 HydrophobicContact CD2-CE1 3.96Å; Y52-E66 PolarHBondContact OH-OE1 2.93Å; Y52-V67 HydrophobicContact CD2-CG2 3.91Å; Y52-A89 HydrophobicContact CE1-CB 4.49Å; Y52-A89 PolarHBondContact OH-O 3.21Å; Y52-W90 AromaticContact CD1-CE3 3.86Å; Y52-W90 HydrophobicContact CD1-CE3 3.86Å; Y52-W90 HydrophobicContact CD2-CB 4.44Å; Y52-W90 AromaticContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CE1-CB 4.19Å; Y52-W90 HydrophobicContact CE1-CE3 4.46Å; Y52-W90 HydrophobicContact CE2-CB 3.96Å; Y52-W90 AromaticContact CG-CE3 3.58Å; Y52-W90 HydrophobicContact CG-CE3 3.58Å; Y52-W90 HydrophobicContact CG-CZ3 4.13Å
53T89.6Confident81.7Confident78 Ų7869.8 Ų69.848%0.47935%0.354SS..Hα-helixtrans-62.4-48.7-176.7-60.20000110.2C49 D50 L55 V56 S57C49-T53 VanDerWaalsContact O-CB 3.3Å; C49-T53 WeakPolarHBondContact O-CB 3.36Å; C49-T53 PolarHBondContact O-N 2.76Å; C49-T53 PolarHBondContact O-OG1 3.09Å; D50-T53 PolarHBondContact O-N 2.95Å; T53-L55 PolarHBondContact O-N 3.33Å; T53-V56 PolarHBondContact O-N 3.03Å; T53-S57 WeakPolarHBondContact O-CB 3.49Å; T53-S57 PolarHBondContact O-N 3.39Å; T53-S57 PolarHBondContact O-OG 3.23Å
54E88.6Confident81Confident87 Ų8766.1 Ų66.141%0.40734%0.336SS..Hα-helixtrans-57.3-47176.9-65.9-70.9-174.600111.6D50 V56 S57 E58 L138D50-E54 VanDerWaalsContact O-CG 3.28Å; D50-E54 WeakPolarHBondContact O-CG 3.31Å; D50-E54 PolarHBondContact O-N 3.23Å; E54-V56 VanDerWaalsContact C-N 3.33Å; E54-V56 PolarHBondContact O-N 2.76Å; E54-S57 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-OG 3.21Å; E54-E58 VanDerWaalsContact O-CB 3.27Å; E54-E58 WeakPolarHBondContact O-CB 3.4Å; E54-E58 VanDerWaalsContact O-CG 3.31Å; E54-E58 WeakPolarHBondContact O-CG 3.42Å; E54-E58 PolarHBondContact O-N 2.81Å; E54-L138 HydrophobicContact CB-CD1 3.96Å; E54-L138 HydrophobicContact CB-CD2 3.86Å; E54-L138 HydrophobicContact CG-CD1 4.43Å
55L86.5Confident80.7Confident21 Ų2166.2 Ų66.211%0.1134%0.337CS..Hα-helixtrans-64.5-35.3178.4-71.7-177.6000113.5F51 Y52 T53 A59 F65 L138 F141F51-L55 HydrophobicContact CD1-CD1 3.9Å; F51-L55 HydrophobicContact CE1-CD1 3.28Å; F51-L55 HydrophobicContact CE1-CG 4.35Å; F51-L55 HydrophobicContact CE2-CD1 4.32Å; F51-L55 HydrophobicContact CZ-CD1 3.54Å; F51-L55 HydrophobicContact CZ-CG 4.47Å; F51-L55 WeakPolarHBondContact O-CG 3.32Å; F51-L55 PolarHBondContact O-N 2.89Å; Y52-L55 PolarHBondContact O-N 3.38Å; T53-L55 PolarHBondContact O-N 3.33Å; L55-A59 WeakPolarHBondContact O-CB 3.36Å; L55-A59 PolarHBondContact O-N 2.92Å; L55-F65 HydrophobicContact CB-CD1 4.49Å; L55-F65 HydrophobicContact CD1-CB 4.24Å; L55-F65 HydrophobicContact CD1-CD1 3.65Å; L55-F65 HydrophobicContact CD1-CE1 4.15Å; L55-F65 HydrophobicContact CD1-CG 3.94Å; L55-L138 HydrophobicContact CD2-CD2 3.9Å; L55-L138 HydrophobicContact CG-CD2 3.88Å; L55-F141 HydrophobicContact CD1-CB 4.18Å; L55-F141 HydrophobicContact CD1-CD1 4.05Å; L55-F141 HydrophobicContact CD1-CD2 3.68Å; L55-F141 HydrophobicContact CD1-CE1 4.38Å; L55-F141 HydrophobicContact CD1-CE2 4.08Å; L55-F141 HydrophobicContact CD1-CG 3.69Å; L55-F141 HydrophobicContact CD1-CZ 4.4Å; L55-F141 HydrophobicContact CD2-CB 4.12Å; L55-F141 HydrophobicContact CD2-CD1 3.52Å; L55-F141 HydrophobicContact CD2-CE1 4.08Å; L55-F141 HydrophobicContact CD2-CG 3.83Å; L55-F141 HydrophobicContact CG-CD1 4.43Å; L55-F141 HydrophobicContact CG-CG 4.45Å
56V82.9Confident80.6Confident59 Ų5966.8 Ų66.836%0.35834%0.339SS..Hα-helixtrans-82.9-32.9-178.4174.90000111.8Y52 T53 E54 A63Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CD2-CG2 4.02Å; Y52-V56 HydrophobicContact CE1-CG2 3.92Å; Y52-V56 HydrophobicContact CE2-CG2 3.66Å; Y52-V56 HydrophobicContact CG-CG2 4.29Å; Y52-V56 WeakPolarHBondContact O-CB 3.47Å; Y52-V56 VanDerWaalsContact O-CG2 3.29Å; Y52-V56 WeakPolarHBondContact O-CG2 3.49Å; Y52-V56 PolarHBondContact O-N 2.93Å; T53-V56 PolarHBondContact O-N 3.03Å; E54-V56 VanDerWaalsContact C-N 3.33Å; E54-V56 PolarHBondContact O-N 2.76Å; V56-A63 HydrophobicContact CG2-CB 4.25Å
57S78.2Confident80.6Confident83 Ų8364.3 Ų64.358%0.5832%0.323SS*.Hα-helixtrans-77.4-37.4177.958.70000113.1T53 E54T53-S57 WeakPolarHBondContact O-CB 3.49Å; T53-S57 PolarHBondContact O-N 3.39Å; T53-S57 PolarHBondContact O-OG 3.23Å; E54-S57 PolarHBondContact O-N 3.49Å; E54-S57 PolarHBondContact O-OG 3.21Å
58E64.4Low80.7Confident137 Ų13761.2 Ų61.264%0.6431%0.307SS*.Hα-helixtrans-81.1-20.2-178.7-67.4-168.7156.700113.3E54 R60E54-E58 VanDerWaalsContact O-CB 3.27Å; E54-E58 WeakPolarHBondContact O-CB 3.4Å; E54-E58 VanDerWaalsContact O-CG 3.31Å; E54-E58 WeakPolarHBondContact O-CG 3.42Å; E54-E58 PolarHBondContact O-N 2.81Å; E58-R60 PolarHBondContact O-N 3.17Å
59A60.2Low80.8Confident29 Ų2961.2 Ų61.224%0.2431%0.307CS..SBendtrans-74.1127.8-177.300000112.7L55 R61 A63L55-A59 WeakPolarHBondContact O-CB 3.36Å; L55-A59 PolarHBondContact O-N 2.92Å; A59-R61 PolarHBondContact O-N 3.04Å; A59-A63 HydrophobicContact CB-CB 3.46Å; A59-A63 VanDerWaalsContact CB-CB 3.46Å
60R55.5Low81Confident246 Ų24660.4 Ų60.493%0.92830%0.301SS*.SBendtrans-61.8118.8158.4-66.8-172.8-178.9-159.60.6107.4E58E58-R60 PolarHBondContact O-N 3.17Å
61R53.7Low81.2Confident243 Ų24355.6 Ų55.692%0.91728%0.276SS*.SBendtrans-54.3145.6-168.7-68.3-173.9178.2-168.6-0.8113.4A59A59-R61 PolarHBondContact O-N 3.04Å
62P53.6Low81.4Confident104 Ų10456.5 Ų56.568%0.67529%0.285SS*.SBendcis-82.6141.8-9.330.5-30.4000112.4
63A62.3Low81.5Confident13 Ų1356.3 Ų56.311%0.10729%0.285CS..PPolyproline II helixtrans-61.1130.1171.800000109.8V56 A59 F65V56-A63 HydrophobicContact CG2-CB 4.25Å; A59-A63 HydrophobicContact CB-CB 3.46Å; A59-A63 VanDerWaalsContact CB-CB 3.46Å; A63-F65 PolarHBondContact O-N 2.85Å
64P80Confident81.7Confident27 Ų2762.7 Ų62.718%0.17530%0.3CS..SBendtrans-80.530.2-176.930.2-30000112.2V28 F141 V145 V150V28-P64 VanDerWaalsContact CB-O 3.24Å; V28-P64 WeakPolarHBondContact CB-O 3.44Å; V28-P64 WeakPolarHBondContact CG2-O 3.48Å; V28-P64 PolarHBondContact N-O 2.84Å; P64-F141 HydrophobicContact CB-CZ 4.44Å; P64-F141 HydrophobicContact CG-CE1 3.98Å; P64-F141 HydrophobicContact CG-CZ 3.85Å; P64-V145 HydrophobicContact CG-CG2 4.41Å; P64-V150 HydrophobicContact CB-CG1 4.18Å
65F88.8Confident82Confident2 Ų260.2 Ų60.21%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-134.4135.3-178.8-169.9-123.8000111.4V28 A30 F51 Y52 L55 A63 V67 F141 W144V28-F65 HydrophobicContact CB-CD2 4.25Å; V28-F65 HydrophobicContact CG1-CD2 4.24Å; V28-F65 WeakPolarHBondContact O-CA 3.24Å; A30-F65 HydrophobicContact CB-CE2 3.66Å; A30-F65 HydrophobicContact CB-CZ 3.72Å; F51-F65 AromaticContact CD1-CE1 3.93Å; F51-F65 HydrophobicContact CD1-CE1 3.93Å; F51-F65 HydrophobicContact CD1-CZ 4.29Å; F51-F65 HydrophobicContact CE1-CD1 4.37Å; F51-F65 AromaticContact CE1-CE1 3.71Å; F51-F65 HydrophobicContact CE1-CE1 3.71Å; F51-F65 HydrophobicContact CE1-CE2 4.49Å; F51-F65 AromaticContact CE1-CZ 3.79Å; F51-F65 HydrophobicContact CE1-CZ 3.79Å; Y52-F65 AromaticContact CD2-CD1 3.83Å; Y52-F65 HydrophobicContact CD2-CD1 3.83Å; Y52-F65 AromaticContact CD2-CE1 3.96Å; Y52-F65 HydrophobicContact CD2-CE1 3.96Å; L55-F65 HydrophobicContact CB-CD1 4.49Å; L55-F65 HydrophobicContact CD1-CB 4.24Å; L55-F65 HydrophobicContact CD1-CD1 3.65Å; L55-F65 HydrophobicContact CD1-CE1 4.15Å; L55-F65 HydrophobicContact CD1-CG 3.94Å; A63-F65 PolarHBondContact O-N 2.85Å; F65-V67 HydrophobicContact CE1-CG2 3.61Å; F65-V67 HydrophobicContact CZ-CG2 3.72Å; F65-F141 HydrophobicContact CB-CE2 3.62Å; F65-F141 HydrophobicContact CB-CZ 3.67Å; F65-F141 HydrophobicContact CD2-CD2 4.21Å; F65-F141 AromaticContact CD2-CE2 3.62Å; F65-F141 HydrophobicContact CD2-CE2 3.62Å; F65-F141 HydrophobicContact CG-CD2 4.46Å; F65-F141 AromaticContact CG-CE2 3.81Å; F65-F141 HydrophobicContact CG-CE2 3.81Å; F65-F141 HydrophobicContact CG-CZ 4.37Å; F65-W144 HydrophobicContact CE2-CE3 4.21Å; F65-W144 AromaticContact CE2-CZ3 3.95Å; F65-W144 HydrophobicContact CE2-CZ3 3.95Å; F65-W144 HydrophobicContact CZ-CZ3 4.22Å
66E92.7Very high82.4Confident12 Ų1260.5 Ų60.56%0.05630%0.298CS..EExtended strand (participates in β ladder)trans-140.2144.3170-169.357.9-97.400110.5L24 K27 V28 A30 Y52 L91L24-E66 HydrophobicContact CD2-CB 3.89Å; L24-E66 HydrophobicContact CD2-CG 3.49Å; L24-E66 VanDerWaalsContact CD2-CG 3.49Å; K27-E66 HydrophobicContact CB-CB 4.46Å; K27-E66 HydrophobicContact CD-CB 3.69Å; K27-E66 IonicContact NZ-OE2 3.83Å; K27-E66 PolarHBondContact NZ-OE2 2.89Å; V28-E66 PolarHBondContact O-N 2.79Å; A30-E66 PolarHBondContact N-O 2.83Å; Y52-E66 PolarHBondContact OH-OE1 2.93Å; E66-L91 HydrophobicContact CG-CD1 3.9Å; E66-L91 HydrophobicContact CG-CG 4.29Å
67V95.5Very high82.9Confident0 Ų064.3 Ų64.30%031%0.312CS..EExtended strand (participates in β ladder)trans-106.7131.7171.91770000108.6A30 L48 Y52 F65 W90 L91A30-V67 HydrophobicContact CB-CG2 4.2Å; A30-V67 WeakPolarHBondContact O-CA 3.32Å; L48-V67 HydrophobicContact CD1-CG2 4.46Å; L48-V67 HydrophobicContact CD2-CG1 4.27Å; Y52-V67 HydrophobicContact CD2-CG2 3.91Å; F65-V67 HydrophobicContact CE1-CG2 3.61Å; F65-V67 HydrophobicContact CZ-CG2 3.72Å; V67-W90 HydrophobicContact CB-CB 3.75Å; V67-W90 HydrophobicContact CB-CD2 3.67Å; V67-W90 HydrophobicContact CB-CE3 3.87Å; V67-W90 HydrophobicContact CB-CG 3.6Å; V67-W90 HydrophobicContact CG1-CB 4.47Å; V67-W90 HydrophobicContact CG1-CD2 3.7Å; V67-W90 HydrophobicContact CG1-CE3 4.16Å; V67-W90 HydrophobicContact CG1-CG 3.83Å; V67-W90 HydrophobicContact CG2-CD2 4.23Å; V67-W90 HydrophobicContact CG2-CE3 3.92Å; V67-W90 HydrophobicContact CG2-CZ3 4.47Å; V67-W90 WeakPolarHBondContact O-CB 3.5Å; V67-L91 PolarHBondContact O-N 3.48Å
68V96.8Very high83.6Confident0 Ų062.2 Ų62.20%029%0.293CS..EExtended strand (participates in β ladder)trans-115.3112170.2-177.50000108.2L5 L10 L24 V29 A30 L31 Y32 L91L5-V68 HydrophobicContact CD1-CB 4.31Å; L5-V68 HydrophobicContact CD1-CG1 4Å; L5-V68 HydrophobicContact CD1-CG2 3.97Å; L10-V68 HydrophobicContact CD1-CG1 4.41Å; L10-V68 HydrophobicContact CD1-CG2 4Å; L10-V68 HydrophobicContact CD2-CG1 3.91Å; L24-V68 HydrophobicContact CD1-CG2 4.21Å; L24-V68 HydrophobicContact CD2-CG2 3.85Å; V29-V68 HydrophobicContact CG1-CG2 4.01Å; A30-V68 PolarHBondContact O-N 2.91Å; L31-V68 WeakPolarHBondContact CA-O 3.43Å; L31-V68 HydrophobicContact CD2-CB 4.08Å; Y32-V68 PolarHBondContact N-O 2.97Å; V68-L91 CarbonylContact C-O 3.56Å; V68-L91 WeakPolarHBondContact CA-O 3.32Å; V68-L91 HydrophobicContact CG2-CB 4.44Å
69F97.6Very high85Confident0 Ų055.9 Ų55.90%026%0.263CS..EExtended strand (participates in β ladder)trans-75.1130.7175.5176.2-131.1000111.5Y32 A34 M79 F82 M83 H87 L91 A92 L93Y32-F69 AromaticContact CD1-CD2 3.74Å; Y32-F69 HydrophobicContact CD1-CD2 3.74Å; Y32-F69 HydrophobicContact CD1-CE2 4.42Å; Y32-F69 HydrophobicContact CE1-CD2 4.21Å; Y32-F69 HydrophobicContact CE1-CE2 4.49Å; Y32-F69 HydrophobicContact CG-CD2 4.45Å; Y32-F69 WeakPolarHBondContact O-CD2 3.29Å; A34-F69 HydrophobicContact CB-CE2 3.9Å; A34-F69 WeakPolarHBondContact O-CE2 3.21Å; F69-M79 HydrophobicContact CD1-CE 4.4Å; F69-M79 HydrophobicContact CE1-CG 3.93Å; F69-F82 AromaticContact CE1-CD1 3.97Å; F69-F82 HydrophobicContact CE1-CD1 3.97Å; F69-F82 HydrophobicContact CE1-CE1 4.35Å; F69-F82 HydrophobicContact CE2-CD1 4.24Å; F69-F82 AromaticContact CE2-CE1 3.87Å; F69-F82 HydrophobicContact CE2-CE1 3.87Å; F69-F82 AromaticContact CZ-CD1 3.56Å; F69-F82 HydrophobicContact CZ-CD1 3.56Å; F69-F82 AromaticContact CZ-CE1 3.67Å; F69-F82 HydrophobicContact CZ-CE1 3.67Å; F69-M83 HydrophobicContact CD1-CG 3.96Å; F69-M83 HydrophobicContact CD1-SD 4.13Å; F69-M83 HydrophobicContact CE1-CG 3.99Å; F69-M83 HydrophobicContact CE1-SD 4.43Å; F69-H87 WeakPolarHBondContact CB-CE1 3.28Å; F69-H87 WeakPolarHBondContact CB-NE2 3.34Å; F69-H87 AromaticContact CD1-CE1 3.59Å; F69-H87 AromaticContact CD1-NE2 3.16Å; F69-H87 WeakPolarHBondContact CD1-NE2 3.31Å; F69-H87 AromaticContact CD2-NE2 3.77Å; F69-H87 AromaticContact CE1-NE2 3.92Å; F69-H87 AromaticContact CG-CE1 3.66Å; F69-H87 AromaticContact CG-NE2 3.05Å; F69-H87 WeakPolarHBondContact CG-NE2 3.29Å; F69-L91 PolarHBondContact N-O 3.37Å; F69-A92 HydrophobicContact CB-CB 3.96Å; F69-A92 HydrophobicContact CD1-CB 4.06Å; F69-A92 CarbonylContact O-C 3.6Å; F69-A92 WeakPolarHBondContact O-CA 3.43Å; F69-L93 PolarHBondContact O-N 3.32Å
70V97.4Very high86.5Confident0 Ų058 Ų580%027%0.271CS..EExtended strand (participates in β ladder)trans-122.687.6-178.5-170.70000106.7L31 Y32 F33 R100 L103L31-V70 HydrophobicContact CD2-CG2 4.43Å; Y32-V70 PolarHBondContact O-N 3.18Å; F33-V70 WeakPolarHBondContact CA-O 3.41Å; F33-V70 HydrophobicContact CD1-CB 3.67Å; F33-V70 HydrophobicContact CD1-CG1 3.62Å; F33-V70 HydrophobicContact CD1-CG2 4.48Å; F33-V70 HydrophobicContact CE1-CB 3.78Å; F33-V70 HydrophobicContact CE1-CG1 3.47Å; F33-V70 VanDerWaalsContact CE1-CG1 3.47Å; F33-V70 HydrophobicContact CE1-CG2 4.2Å; F33-V70 HydrophobicContact CG-CB 4.28Å; F33-V70 HydrophobicContact CZ-CB 4.43Å; F33-V70 HydrophobicContact CZ-CG1 4.39Å; F33-V70 HydrophobicContact CZ-CG2 4.42Å; V70-R100 HydrophobicContact CG1-CB 4.31Å; V70-R100 HydrophobicContact CG1-CG 3.45Å; V70-R100 VanDerWaalsContact CG1-CG 3.45Å; V70-L103 HydrophobicContact CG1-CD1 4.24Å; V70-L103 HydrophobicContact CG2-CD1 4.11Å
71S96.4Very high88.3Confident0 Ų050.4 Ų50.40%025%0.248CC..EExtended strand (participates in β ladder)trans-58.4138.9-171.8170.60000112.9D73 M79 R100S71-D73 VanDerWaalsContact OG-CB 3.24Å; S71-D73 WeakPolarHBondContact OG-CB 3.29Å; S71-D73 PolarHBondContact OG-N 2.9Å; S71-D73 PolarHBondContact OG-OD2 2.83Å; S71-M79 VanDerWaalsContact CB-SD 3.59Å; S71-R100 WeakPolarHBondContact O-CD 3.31Å; S71-R100 PolarHBondContact O-NE 3.16Å
72A95.6Very high90.1Very high29 Ų2939 Ų3924%0.2421%0.206CC..  trans-109.513.9167.900000111.7A34 A35 I112A34-A72 PolarHBondContact O-N 3.27Å; A35-A72 HydrophobicContact CB-CB 4.19Å; A72-I112 HydrophobicContact CB-CD1 3.91Å; A72-I112 HydrophobicContact CB-CG2 4.43Å
73D95.4Very high91.8Very high12 Ų1234.2 Ų34.26%0.06417%0.174CC..  trans-65.9164.9175.6-61.7-69.6000111.6A35 G36 S71 E78 M79 F95A35-D73 VanDerWaalsContact CA-OD1 3.31Å; A35-D73 WeakPolarHBondContact CA-OD1 3.46Å; A35-D73 WeakPolarHBondContact CB-OD1 3.42Å; G36-D73 PolarHBondContact N-OD1 3.1Å; S71-D73 VanDerWaalsContact OG-CB 3.24Å; S71-D73 WeakPolarHBondContact OG-CB 3.29Å; S71-D73 PolarHBondContact OG-N 2.9Å; S71-D73 PolarHBondContact OG-OD2 2.83Å; D73-E78 HydrophobicContact CB-CB 3.79Å; D73-M79 HydrophobicContact CB-CB 4.41Å; D73-F95 HydrophobicContact CB-CE2 4.43Å; D73-F95 WeakPolarHBondContact O-CE2 3.19Å
74R93.8Very high93.1Very high213 Ų21341.8 Ų41.880%0.80420%0.2SC*.SBendtrans-91.5-14.2-177.3-58.4-172.2-176.2168.5-3.8112.9R37 E78R37-R74 VanDerWaalsContact NH2-CD 3.31Å; R74-E78 PolarHBondContact N-OE2 2.87Å
75S95.5Very high93.5Very high34 Ų3446 Ų4624%0.23822%0.217CC..SBendtrans-144.2159.8177.871.40000111.8E77 E78 M79 F95S75-E77 PolarHBondContact O-N 2.94Å; S75-E78 PolarHBondContact O-N 2.97Å; S75-E78 VanDerWaalsContact OG-CG 3.26Å; S75-E78 WeakPolarHBondContact OG-CG 3.32Å; S75-E78 PolarHBondContact OG-N 3.34Å; S75-E78 VanDerWaalsContact OG-N 3.12Å; S75-E78 PolarHBondContact OG-OE1 3.08Å; S75-M79 PolarHBondContact O-N 3.22Å; S75-F95 VanDerWaalsContact C-CZ 3.42Å; S75-F95 VanDerWaalsContact CA-CZ 3.41Å; S75-F95 WeakPolarHBondContact O-CD2 3.3Å; S75-F95 WeakPolarHBondContact O-CE2 3.24Å
76A93.6Very high93.3Very high28 Ų2847.5 Ų47.523%0.23123%0.225CC..Hα-helixtrans-63.1-34.117300000111.8M79 L80 F95A76-M79 WeakPolarHBondContact O-CB 3.36Å; A76-M79 PolarHBondContact O-N 3.34Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 VanDerWaalsContact O-CG 3.24Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 3.08Å; A76-F95 VanDerWaalsContact CA-CG 3.47Å; A76-F95 HydrophobicContact CB-CB 3.74Å; A76-F95 HydrophobicContact CB-CD1 3.83Å; A76-F95 HydrophobicContact CB-CD2 4.46Å; A76-F95 HydrophobicContact CB-CG 3.74Å
77E93.6Very high92.6Very high138 Ų13847.1 Ų47.165%0.64522%0.223SC*.Hα-helixtrans-61.5-49.7175.9-175.8177.3-165.500111.4S75 M79 L80 D81S75-E77 PolarHBondContact O-N 2.94Å; E77-M79 VanDerWaalsContact C-N 3.3Å; E77-M79 PolarHBondContact O-N 2.93Å; E77-L80 PolarHBondContact O-N 3.24Å; E77-L80 VanDerWaalsContact O-N 3.08Å; E77-D81 PolarHBondContact O-N 2.86Å
78E93.8Very high91.6Very high40 Ų4047.5 Ų47.519%0.18723%0.227CC..Hα-helixtrans-60.6-40.3176.9-72.5163.8-155.500112.5R37 D73 R74 S75 F82R37-E78 IonicContact CZ-OE1 3.12Å; R37-E78 IonicContact CZ-OE2 2.98Å; R37-E78 IonicContact NE-OE2 2.87Å; R37-E78 IonicContact NH1-OE1 3.55Å; R37-E78 PolarHBondContact NH1-OE1 3.22Å; R37-E78 IonicContact NH1-OE2 3.7Å; R37-E78 IonicContact NH2-OE1 2.63Å; R37-E78 PolarHBondContact NH2-OE1 3.04Å; R37-E78 IonicContact NH2-OE2 3.79Å; R37-E78 PolarHBondContact NH2-OE2 3.25Å; D73-E78 HydrophobicContact CB-CB 3.79Å; R74-E78 PolarHBondContact N-OE2 2.87Å; S75-E78 PolarHBondContact O-N 2.97Å; S75-E78 VanDerWaalsContact OG-CG 3.26Å; S75-E78 WeakPolarHBondContact OG-CG 3.32Å; S75-E78 PolarHBondContact OG-N 3.34Å; S75-E78 VanDerWaalsContact OG-N 3.12Å; S75-E78 PolarHBondContact OG-OE1 3.08Å; E78-F82 WeakPolarHBondContact O-CB 3.37Å; E78-F82 PolarHBondContact O-N 2.95Å
79M94.3Very high91Very high3 Ų350.9 Ų50.92%0.01526%0.255CS..Hα-helixtrans-59.9-47.3174170177.3163.400110.6F69 S71 D73 S75 A76 E77 M83 A92 L93 F95F69-M79 HydrophobicContact CD1-CE 4.4Å; F69-M79 HydrophobicContact CE1-CG 3.93Å; S71-M79 VanDerWaalsContact CB-SD 3.59Å; D73-M79 HydrophobicContact CB-CB 4.41Å; S75-M79 PolarHBondContact O-N 3.22Å; A76-M79 WeakPolarHBondContact O-CB 3.36Å; A76-M79 PolarHBondContact O-N 3.34Å; E77-M79 VanDerWaalsContact C-N 3.3Å; E77-M79 PolarHBondContact O-N 2.93Å; M79-M83 HydrophobicContact CE-SD 3.4Å; M79-M83 WeakPolarHBondContact CE-SD 3.48Å; M79-M83 HydrophobicContact CG-CG 4.49Å; M79-M83 HydrophobicContact CG-SD 3.94Å; M79-M83 WeakPolarHBondContact O-CB 3.49Å; M79-M83 WeakPolarHBondContact O-CG 3.36Å; M79-M83 PolarHBondContact O-N 3.08Å; M79-A92 HydrophobicContact CE-CB 3.67Å; M79-L93 WeakPolarHBondContact CE-O 3.42Å; M79-F95 HydrophobicContact CB-CD2 3.98Å; M79-F95 HydrophobicContact SD-CB 3.63Å; M79-F95 HydrophobicContact SD-CD2 3.97Å; M79-F95 HydrophobicContact SD-CG 4.31Å
80L91.6Very high90.8Very high75 Ų7551 Ų5139%0.39326%0.255SS..Hα-helixtrans-66.3-41.4-179.5-73170.7000112.2A76 E77 M83 R84A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 VanDerWaalsContact O-CG 3.24Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 3.08Å; E77-L80 PolarHBondContact O-N 3.24Å; E77-L80 VanDerWaalsContact O-N 3.08Å; L80-M83 WeakPolarHBondContact O-CB 3.01Å; L80-M83 PolarHBondContact O-N 3.11Å; L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.06Å; L80-R84 PolarHBondContact O-N 3.45Å
81D91.9Very high90.6Very high86 Ų8651.6 Ų51.646%0.4626%0.259SS..Hα-helixtrans-62.2-47.4177.3-73.2-19.2000111E77 M83 R84 E85E77-D81 PolarHBondContact O-N 2.86Å; D81-M83 VanDerWaalsContact C-N 3.28Å; D81-M83 PolarHBondContact O-N 2.98Å; D81-R84 PolarHBondContact O-N 3.18Å; D81-E85 WeakPolarHBondContact O-CB 3.2Å; D81-E85 PolarHBondContact O-N 3.42Å
82F91.6Very high90.6Very high4 Ų451.6 Ų51.62%0.01826%0.259CS..Hα-helixtrans-60.7-40174.2-179.9-116.2000112A34 R42 T45 F69 E78 R84 E85 L86A34-F82 HydrophobicContact CB-CE1 4.29Å; A34-F82 HydrophobicContact CB-CZ 4.38Å; R42-F82 HydrophobicContact CG-CE2 4.37Å; T45-F82 HydrophobicContact CG2-CZ 4.12Å; T45-F82 VanDerWaalsContact OG1-CZ 3.24Å; T45-F82 WeakPolarHBondContact OG1-CZ 3.07Å; F69-F82 AromaticContact CE1-CD1 3.97Å; F69-F82 HydrophobicContact CE1-CD1 3.97Å; F69-F82 HydrophobicContact CE1-CE1 4.35Å; F69-F82 HydrophobicContact CE2-CD1 4.24Å; F69-F82 AromaticContact CE2-CE1 3.87Å; F69-F82 HydrophobicContact CE2-CE1 3.87Å; F69-F82 AromaticContact CZ-CD1 3.56Å; F69-F82 HydrophobicContact CZ-CD1 3.56Å; F69-F82 AromaticContact CZ-CE1 3.67Å; F69-F82 HydrophobicContact CZ-CE1 3.67Å; E78-F82 WeakPolarHBondContact O-CB 3.37Å; E78-F82 PolarHBondContact O-N 2.95Å; F82-R84 VanDerWaalsContact C-N 3.32Å; F82-R84 PolarHBondContact O-N 2.95Å; F82-E85 PolarHBondContact O-N 2.96Å; F82-L86 HydrophobicContact CD2-CB 4.37Å; F82-L86 HydrophobicContact CD2-CD1 3.96Å; F82-L86 HydrophobicContact CE2-CB 4.16Å; F82-L86 HydrophobicContact CE2-CD1 3.65Å; F82-L86 HydrophobicContact CE2-CG 4.48Å; F82-L86 PolarHBondContact O-N 3.25Å
83M90.9Very high90.7Very high3 Ų350.2 Ų50.22%0.01525%0.247CC..Hα-helixtrans-63.7-36.8176.7-78.6178.666.800112.6F69 M79 L80 D81 H87 A92F69-M83 HydrophobicContact CD1-CG 3.96Å; F69-M83 HydrophobicContact CD1-SD 4.13Å; F69-M83 HydrophobicContact CE1-CG 3.99Å; F69-M83 HydrophobicContact CE1-SD 4.43Å; M79-M83 HydrophobicContact CE-SD 3.4Å; M79-M83 WeakPolarHBondContact CE-SD 3.48Å; M79-M83 HydrophobicContact CG-CG 4.49Å; M79-M83 HydrophobicContact CG-SD 3.94Å; M79-M83 WeakPolarHBondContact O-CB 3.49Å; M79-M83 WeakPolarHBondContact O-CG 3.36Å; M79-M83 PolarHBondContact O-N 3.08Å; L80-M83 WeakPolarHBondContact O-CB 3.01Å; L80-M83 PolarHBondContact O-N 3.11Å; D81-M83 VanDerWaalsContact C-N 3.28Å; D81-M83 PolarHBondContact O-N 2.98Å; M83-H87 HydrophobicContact CB-CB 4.3Å; M83-H87 WeakPolarHBondContact O-CB 3.39Å; M83-A92 HydrophobicContact CE-CB 3.58Å; M83-A92 HydrophobicContact SD-CB 3.73Å
84R88.7Confident90.7Very high171 Ų17151.2 Ų51.265%0.64525%0.254SS*.Hα-helixtrans-73.3-41.3179-74.3172.4179.7-173.70.6112R13 L80 D81 F82R13-R84 PolarHBondContact NH2-O 3.34Å; L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.06Å; L80-R84 PolarHBondContact O-N 3.45Å; D81-R84 PolarHBondContact O-N 3.18Å; F82-R84 VanDerWaalsContact C-N 3.32Å; F82-R84 PolarHBondContact O-N 2.95Å
85E88Confident90.8Very high116 Ų11642.3 Ų42.354%0.54222%0.222SC..Hα-helixtrans-74.8-49.7-173.7-166.8-171.6172.300112.9R42 D81 F82R42-E85 IonicContact CZ-OE1 3.9Å; R42-E85 IonicContact CZ-OE2 2.99Å; R42-E85 IonicContact NH2-OE1 3.74Å; R42-E85 PolarHBondContact NH2-OE1 3.16Å; R42-E85 IonicContact NH2-OE2 2.65Å; R42-E85 PolarHBondContact NH2-OE2 3.32Å; D81-E85 WeakPolarHBondContact O-CB 3.2Å; D81-E85 PolarHBondContact O-N 3.42Å; F82-E85 PolarHBondContact O-N 2.96Å
86L84.8Confident90.7Very high33 Ų3348.2 Ų48.217%0.17325%0.245CC..Hα-helixtrans-122.9-11.1-163.1-67175.4000114.7R42 T45 P46 C49 F82R42-L86 HydrophobicContact CB-CD1 3.93Å; R42-L86 HydrophobicContact CG-CD1 3.97Å; T45-L86 HydrophobicContact CG2-CB 3.9Å; T45-L86 WeakPolarHBondContact CG2-O 3.21Å; P46-L86 HydrophobicContact CG-CD2 4.37Å; C49-L86 PolarHBondContact SG-O 2.89Å; F82-L86 HydrophobicContact CD2-CB 4.37Å; F82-L86 HydrophobicContact CD2-CD1 3.96Å; F82-L86 HydrophobicContact CE2-CB 4.16Å; F82-L86 HydrophobicContact CE2-CD1 3.65Å; F82-L86 HydrophobicContact CE2-CG 4.48Å; F82-L86 PolarHBondContact O-N 3.25Å
87H77.9Confident90.8Very high5 Ų547.9 Ų47.92%0.02324%0.24CC..  trans-80.2144.3-170.7-132.8-133.5000112.9F69 M83 W90F69-H87 WeakPolarHBondContact CB-CE1 3.28Å; F69-H87 WeakPolarHBondContact CB-NE2 3.34Å; F69-H87 AromaticContact CD1-CE1 3.59Å; F69-H87 AromaticContact CD1-NE2 3.16Å; F69-H87 WeakPolarHBondContact CD1-NE2 3.31Å; F69-H87 AromaticContact CD2-NE2 3.77Å; F69-H87 AromaticContact CE1-NE2 3.92Å; F69-H87 AromaticContact CG-CE1 3.66Å; F69-H87 AromaticContact CG-NE2 3.05Å; F69-H87 WeakPolarHBondContact CG-NE2 3.29Å; M83-H87 HydrophobicContact CB-CB 4.3Å; M83-H87 WeakPolarHBondContact O-CB 3.39Å; H87-W90 AromaticContact CD2-CE2 3.84Å; H87-W90 AromaticContact CD2-CZ2 3.91Å; H87-W90 AromaticContact CD2-NE1 3.26Å; H87-W90 PolarHBondContact CD2-NE1 2.86Å; H87-W90 VanDerWaalsContact CD2-NE1 3.26Å; H87-W90 AromaticContact CE1-CD1 3.24Å; H87-W90 AromaticContact CE1-NE1 2.87Å; H87-W90 PolarHBondContact CE1-NE1 3.38Å; H87-W90 AromaticContact CG-CE2 3.9Å; H87-W90 AromaticContact CG-NE1 3.33Å; H87-W90 VanDerWaalsContact CG-NE1 3.33Å; H87-W90 AromaticContact ND1-CD1 3.42Å; H87-W90 AromaticContact ND1-NE1 3.1Å; H87-W90 PolarHBondContact ND1-NE1 2.94Å; H87-W90 AromaticContact NE2-CD1 3.78Å; H87-W90 AromaticContact NE2-CE2 3.9Å; H87-W90 AromaticContact NE2-NE1 2.93Å; H87-W90 PolarHBondContact NE2-NE1 3.48Å
88G75.4Confident90.9Very high7 Ų745.1 Ų45.17%0.07223%0.233CC..  trans-72175.6168.500000111.6C49 W90C49-G88 PolarHBondContact SG-N 2.79Å; G88-W90 PolarHBondContact O-N 3.18Å
89A84.3Confident91Very high72 Ų7244.4 Ų44.460%0.59523%0.229SC*.SBendtrans-7443.1172.500000112.2Y52Y52-A89 HydrophobicContact CE1-CB 4.49Å; Y52-A89 PolarHBondContact OH-O 3.21Å
90W91.5Very high91.1Very high1 Ų145.1 Ų45.10%0.00423%0.232CC..  trans-109.217717963.654.7000111.1Y32 T45 L48 C49 Y52 V67 H87 G88Y32-W90 HydrophobicContact CD1-CZ2 4.42Å; T45-W90 HydrophobicContact CG2-CH2 4.44Å; T45-W90 HydrophobicContact CG2-CZ2 4.2Å; L48-W90 HydrophobicContact CB-CH2 3.88Å; L48-W90 HydrophobicContact CB-CZ3 4.31Å; L48-W90 HydrophobicContact CD2-CH2 3.71Å; L48-W90 HydrophobicContact CD2-CZ2 4.07Å; L48-W90 HydrophobicContact CD2-CZ3 4.19Å; L48-W90 HydrophobicContact CG-CH2 3.53Å; L48-W90 HydrophobicContact CG-CZ2 4.38Å; L48-W90 HydrophobicContact CG-CZ3 3.68Å; L48-W90 WeakPolarHBondContact O-CZ3 3.29Å; C49-W90 HydrophobicContact CB-CH2 4.34Å; C49-W90 HydrophobicContact CB-CZ3 4.43Å; C49-W90 WeakPolarHBondContact SG-CH2 3.43Å; Y52-W90 AromaticContact CD1-CE3 3.86Å; Y52-W90 HydrophobicContact CD1-CE3 3.86Å; Y52-W90 HydrophobicContact CD2-CB 4.44Å; Y52-W90 AromaticContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CD2-CE3 4Å; Y52-W90 HydrophobicContact CE1-CB 4.19Å; Y52-W90 HydrophobicContact CE1-CE3 4.46Å; Y52-W90 HydrophobicContact CE2-CB 3.96Å; Y52-W90 AromaticContact CG-CE3 3.58Å; Y52-W90 HydrophobicContact CG-CE3 3.58Å; Y52-W90 HydrophobicContact CG-CZ3 4.13Å; V67-W90 HydrophobicContact CB-CB 3.75Å; V67-W90 HydrophobicContact CB-CD2 3.67Å; V67-W90 HydrophobicContact CB-CE3 3.87Å; V67-W90 HydrophobicContact CB-CG 3.6Å; V67-W90 HydrophobicContact CG1-CB 4.47Å; V67-W90 HydrophobicContact CG1-CD2 3.7Å; V67-W90 HydrophobicContact CG1-CE3 4.16Å; V67-W90 HydrophobicContact CG1-CG 3.83Å; V67-W90 HydrophobicContact CG2-CD2 4.23Å; V67-W90 HydrophobicContact CG2-CE3 3.92Å; V67-W90 HydrophobicContact CG2-CZ3 4.47Å; V67-W90 WeakPolarHBondContact O-CB 3.5Å; H87-W90 AromaticContact CD2-CE2 3.84Å; H87-W90 AromaticContact CD2-CZ2 3.91Å; H87-W90 AromaticContact CD2-NE1 3.26Å; H87-W90 PolarHBondContact CD2-NE1 2.86Å; H87-W90 VanDerWaalsContact CD2-NE1 3.26Å; H87-W90 AromaticContact CE1-CD1 3.24Å; H87-W90 AromaticContact CE1-NE1 2.87Å; H87-W90 PolarHBondContact CE1-NE1 3.38Å; H87-W90 AromaticContact CG-CE2 3.9Å; H87-W90 AromaticContact CG-NE1 3.33Å; H87-W90 VanDerWaalsContact CG-NE1 3.33Å; H87-W90 AromaticContact ND1-CD1 3.42Å; H87-W90 AromaticContact ND1-NE1 3.1Å; H87-W90 PolarHBondContact ND1-NE1 2.94Å; H87-W90 AromaticContact NE2-CD1 3.78Å; H87-W90 AromaticContact NE2-CE2 3.9Å; H87-W90 AromaticContact NE2-NE1 2.93Å; H87-W90 PolarHBondContact NE2-NE1 3.48Å; G88-W90 PolarHBondContact O-N 3.18Å
91L94.9Very high91.2Very high14 Ų1446.8 Ų46.87%0.07324%0.237CC..EExtended strand (participates in β ladder)trans-90.6162.2-169.7-55.3176000112.6L10 L11 T12 V18 A23 L24 E66 V67 V68 F69L10-L91 HydrophobicContact CB-CB 4.17Å; L10-L91 HydrophobicContact CB-CD1 4.41Å; L10-L91 HydrophobicContact CD1-CB 4.07Å; L10-L91 HydrophobicContact CD1-CD1 3.62Å; L10-L91 HydrophobicContact CD1-CG 4.47Å; L11-L91 CarbonylContact O-C 3.46Å; L11-L91 VanDerWaalsContact O-CA 3.32Å; L11-L91 WeakPolarHBondContact O-CA 3.4Å; T12-L91 HydrophobicContact CG2-CD2 4.15Å; V18-L91 HydrophobicContact CG2-CD1 4.38Å; V18-L91 HydrophobicContact CG2-CD2 3.91Å; A23-L91 HydrophobicContact CB-CD1 3.65Å; L24-L91 HydrophobicContact CD2-CD1 4.07Å; E66-L91 HydrophobicContact CG-CD1 3.9Å; E66-L91 HydrophobicContact CG-CG 4.29Å; V67-L91 PolarHBondContact O-N 3.48Å; V68-L91 CarbonylContact C-O 3.56Å; V68-L91 WeakPolarHBondContact CA-O 3.32Å; V68-L91 HydrophobicContact CG2-CB 4.44Å; F69-L91 PolarHBondContact N-O 3.37Å
92A96.3Very high91.4Very high0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-137.2145.3173.200000111.6L10 L11 F69 M79 M83L10-A92 CarbonylContact C-O 3.6Å; L10-A92 WeakPolarHBondContact CA-O 3.33Å; L11-A92 PolarHBondContact N-O 3.45Å; L11-A92 PolarHBondContact O-N 3.38Å; F69-A92 HydrophobicContact CB-CB 3.96Å; F69-A92 HydrophobicContact CD1-CB 4.06Å; F69-A92 CarbonylContact O-C 3.6Å; F69-A92 WeakPolarHBondContact O-CA 3.43Å; M79-A92 HydrophobicContact CE-CB 3.67Å; M83-A92 HydrophobicContact CE-CB 3.58Å; M83-A92 HydrophobicContact SD-CB 3.73Å
93L96.6Very high91.6Very high0 Ų047.4 Ų47.40%024%0.237CC..  trans-76.5131.3168.3-172.270.8000109L5 L10 F69 M79 F95 D97 Y99 R100 L103L5-L93 HydrophobicContact CD2-CD1 4.06Å; L10-L93 HydrophobicContact CD2-CB 4.43Å; L10-L93 HydrophobicContact CD2-CD1 3.96Å; F69-L93 PolarHBondContact O-N 3.32Å; M79-L93 WeakPolarHBondContact CE-O 3.42Å; L93-F95 PolarHBondContact O-N 2.98Å; L93-D97 HydrophobicContact CD1-CB 4.22Å; L93-D97 HydrophobicContact CD2-CB 4.32Å; L93-D97 HydrophobicContact CG-CB 4.01Å; L93-Y99 HydrophobicContact CD2-CD1 4.46Å; L93-R100 HydrophobicContact CD2-CB 3.91Å; L93-L103 HydrophobicContact CD2-CD1 4.02Å
94P95.9Very high91.8Very high32 Ų3250.3 Ų50.321%0.20825%0.25CS..  trans-51.3139.7-179.8-25.631.2000112.7R9 L11 H96 D97R9-P94 WeakPolarHBondContact O-CD 3.22Å; R9-P94 WeakPolarHBondContact O-CG 3.13Å; L11-P94 HydrophobicContact CD1-CB 4.13Å; L11-P94 HydrophobicContact CD1-CG 4.22Å; L11-P94 HydrophobicContact CD2-CG 4.4Å; L11-P94 HydrophobicContact CG-CB 4.45Å; L11-P94 HydrophobicContact CG-CG 3.99Å; P94-H96 PolarHBondContact O-N 3.19Å; P94-H96 VanDerWaalsContact O-N 3.13Å; P94-D97 HydrophobicContact CB-CB 4.35Å; P94-D97 WeakPolarHBondContact O-CB 3.4Å; P94-D97 PolarHBondContact O-N 3.29Å
95F95.2Very high92.2Very high27 Ų2751 Ų5112%0.11826%0.258CS..THydrogen-bonded Turntrans-55.9-36.1-176.6-175.8-90000113.1D73 S75 A76 M79 L93 D97 R100D73-F95 HydrophobicContact CB-CE2 4.43Å; D73-F95 WeakPolarHBondContact O-CE2 3.19Å; S75-F95 VanDerWaalsContact C-CZ 3.42Å; S75-F95 VanDerWaalsContact CA-CZ 3.41Å; S75-F95 WeakPolarHBondContact O-CD2 3.3Å; S75-F95 WeakPolarHBondContact O-CE2 3.24Å; A76-F95 VanDerWaalsContact CA-CG 3.47Å; A76-F95 HydrophobicContact CB-CB 3.74Å; A76-F95 HydrophobicContact CB-CD1 3.83Å; A76-F95 HydrophobicContact CB-CD2 4.46Å; A76-F95 HydrophobicContact CB-CG 3.74Å; M79-F95 HydrophobicContact CB-CD2 3.98Å; M79-F95 HydrophobicContact SD-CB 3.63Å; M79-F95 HydrophobicContact SD-CD2 3.97Å; M79-F95 HydrophobicContact SD-CG 4.31Å; L93-F95 PolarHBondContact O-N 2.98Å; F95-D97 VanDerWaalsContact C-N 3.33Å; F95-R100 VanDerWaalsContact CG-NH1 3.28Å; F95-R100 PolarHBondContact O-NH1 3.44Å; F95-R100 PolarHBondContact O-NH2 2.69Å
96H94.8Very high92.5Very high157 Ų15751.6 Ų51.673%0.72726%0.255SS*.THydrogen-bonded Turntrans-88.50.9-178-62.5-70.4000113.5P94 P98P94-H96 PolarHBondContact O-N 3.19Å; P94-H96 VanDerWaalsContact O-N 3.13Å; H96-P98 WeakPolarHBondContact O-CD 3.31Å
97D95.9Very high93.1Very high22 Ų2251.1 Ų51.112%0.11825%0.251CS..  trans-72.8119.9175.3-164.7-49.4000109.9R8 L93 P94 F95 Y99 R100R8-D97 IonicContact CZ-OD1 2.98Å; R8-D97 IonicContact CZ-OD2 2.74Å; R8-D97 IonicContact NH1-OD1 2.65Å; R8-D97 PolarHBondContact NH1-OD1 3.11Å; R8-D97 IonicContact NH1-OD2 2.63Å; R8-D97 PolarHBondContact NH1-OD2 3.26Å; L93-D97 HydrophobicContact CD1-CB 4.22Å; L93-D97 HydrophobicContact CD2-CB 4.32Å; L93-D97 HydrophobicContact CG-CB 4.01Å; P94-D97 HydrophobicContact CB-CB 4.35Å; P94-D97 WeakPolarHBondContact O-CB 3.4Å; P94-D97 PolarHBondContact O-N 3.29Å; F95-D97 VanDerWaalsContact C-N 3.33Å; D97-Y99 PolarHBondContact O-N 2.95Å; D97-Y99 WeakPolarHBondContact OD1-CA 3.24Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.31Å; D97-Y99 PolarHBondContact OD1-N 3.06Å; D97-R100 WeakPolarHBondContact O-CB 3.35Å; D97-R100 PolarHBondContact O-N 3.45Å
98P94.8Very high93.9Very high79 Ų7956.7 Ų56.751%0.51328%0.281SS..THydrogen-bonded Turntrans-63.6-22.1-179.327.2-35.9000112.9H96 R100 H101H96-P98 WeakPolarHBondContact O-CD 3.31Å; P98-R100 PolarHBondContact O-N 2.67Å; P98-H101 WeakPolarHBondContact O-CB 3.46Å; P98-H101 PolarHBondContact O-N 3.45Å
99Y95.6Very high94.9Very high25 Ų2557.2 Ų57.210%0.09828%0.282CS..Hα-helixtrans-60.1-22.4-179-164.3-119.8000112.7V4 L5 L93 D97 H101 E102 L103V4-Y99 VanDerWaalsContact O-CE1 3.24Å; V4-Y99 WeakPolarHBondContact O-CE1 3.42Å; V4-Y99 PolarHBondContact O-OH 3.32Å; L5-Y99 HydrophobicContact CD2-CD1 3.86Å; L5-Y99 HydrophobicContact CD2-CE1 3.87Å; L93-Y99 HydrophobicContact CD2-CD1 4.46Å; D97-Y99 PolarHBondContact O-N 2.95Å; D97-Y99 WeakPolarHBondContact OD1-CA 3.24Å; D97-Y99 WeakPolarHBondContact OD1-CB 3.31Å; D97-Y99 PolarHBondContact OD1-N 3.06Å; Y99-H101 PolarHBondContact O-N 3.13Å; Y99-E102 HydrophobicContact CD2-CB 3.79Å; Y99-E102 HydrophobicContact CD2-CG 4.26Å; Y99-E102 WeakPolarHBondContact CD2-OE2 2.98Å; Y99-E102 HydrophobicContact CE2-CB 3.99Å; Y99-E102 VanDerWaalsContact CE2-OE2 3.29Å; Y99-E102 WeakPolarHBondContact CE2-OE2 3.21Å; Y99-E102 WeakPolarHBondContact O-CB 3.29Å; Y99-E102 PolarHBondContact O-N 2.8Å; Y99-E102 VanDerWaalsContact O-N 3.11Å; Y99-L103 HydrophobicContact CD1-CD1 3.67Å; Y99-L103 HydrophobicContact CD1-CD2 4.17Å; Y99-L103 HydrophobicContact CD1-CG 3.67Å; Y99-L103 HydrophobicContact CE1-CD1 3.8Å; Y99-L103 HydrophobicContact CE1-CD2 3.46Å; Y99-L103 VanDerWaalsContact CE1-CD2 3.46Å; Y99-L103 HydrophobicContact CE1-CG 3.49Å; Y99-L103 VanDerWaalsContact CE1-CG 3.49Å; Y99-L103 HydrophobicContact CG-CG 4.38Å; Y99-L103 WeakPolarHBondContact O-CB 3.05Å; Y99-L103 WeakPolarHBondContact O-CG 3.09Å; Y99-L103 PolarHBondContact O-N 2.79Å
100R95.7Very high95.3Very high18 Ų1859.3 Ų59.37%0.06829%0.287CS..Hα-helixtrans-54.1-39.6171.2-163.8176.968.8-164.5-22.8112.9V70 S71 L93 F95 D97 P98 K104V70-R100 HydrophobicContact CG1-CB 4.31Å; V70-R100 HydrophobicContact CG1-CG 3.45Å; V70-R100 VanDerWaalsContact CG1-CG 3.45Å; S71-R100 WeakPolarHBondContact O-CD 3.31Å; S71-R100 PolarHBondContact O-NE 3.16Å; L93-R100 HydrophobicContact CD2-CB 3.91Å; F95-R100 VanDerWaalsContact CG-NH1 3.28Å; F95-R100 PolarHBondContact O-NH1 3.44Å; F95-R100 PolarHBondContact O-NH2 2.69Å; D97-R100 WeakPolarHBondContact O-CB 3.35Å; D97-R100 PolarHBondContact O-N 3.45Å; P98-R100 PolarHBondContact O-N 2.67Å; R100-K104 VanDerWaalsContact O-CG 3.32Å; R100-K104 WeakPolarHBondContact O-CG 3.32Å; R100-K104 PolarHBondContact O-N 2.86Å
101H95.1Very high95.4Very high111 Ų11164.2 Ų64.251%0.51432%0.317SS..Hα-helixtrans-75.8-37.2177.9-60.3-74.8000111.4P98 Y99 K104 K105P98-H101 WeakPolarHBondContact O-CB 3.46Å; P98-H101 PolarHBondContact O-N 3.45Å; Y99-H101 PolarHBondContact O-N 3.13Å; H101-K104 PolarHBondContact O-N 3.41Å; H101-K105 PolarHBondContact O-N 3.21Å
102E95.7Very high95.5Very high102 Ų10265.7 Ų65.748%0.47733%0.325SS..Hα-helixtrans-63-44.2174.4-64.7-179.8-15000111.7Y99 K104 K105 R106Y99-E102 HydrophobicContact CD2-CB 3.79Å; Y99-E102 HydrophobicContact CD2-CG 4.26Å; Y99-E102 WeakPolarHBondContact CD2-OE2 2.98Å; Y99-E102 HydrophobicContact CE2-CB 3.99Å; Y99-E102 VanDerWaalsContact CE2-OE2 3.29Å; Y99-E102 WeakPolarHBondContact CE2-OE2 3.21Å; Y99-E102 WeakPolarHBondContact O-CB 3.29Å; Y99-E102 PolarHBondContact O-N 2.8Å; Y99-E102 VanDerWaalsContact O-N 3.11Å; E102-K104 PolarHBondContact O-N 2.8Å; E102-K105 PolarHBondContact O-N 3.06Å; E102-R106 VanDerWaalsContact O-CB 3.22Å; E102-R106 WeakPolarHBondContact O-CB 3.3Å; E102-R106 PolarHBondContact O-N 3.07Å
103L96.2Very high95.5Very high0 Ų066 Ų660%033%0.326CS..Hα-helixtrans-60.5-45175.2-73.4172.5000111.6V4 L5 L31 F33 V70 L93 Y99 K105 R106 Y107V4-L103 HydrophobicContact CG2-CD2 4.14Å; L5-L103 HydrophobicContact CD2-CD1 4.28Å; L31-L103 HydrophobicContact CD1-CD2 4.05Å; F33-L103 HydrophobicContact CE1-CB 4.04Å; F33-L103 HydrophobicContact CZ-CB 4.13Å; V70-L103 HydrophobicContact CG1-CD1 4.24Å; V70-L103 HydrophobicContact CG2-CD1 4.11Å; L93-L103 HydrophobicContact CD2-CD1 4.02Å; Y99-L103 HydrophobicContact CD1-CD1 3.67Å; Y99-L103 HydrophobicContact CD1-CD2 4.17Å; Y99-L103 HydrophobicContact CD1-CG 3.67Å; Y99-L103 HydrophobicContact CE1-CD1 3.8Å; Y99-L103 HydrophobicContact CE1-CD2 3.46Å; Y99-L103 VanDerWaalsContact CE1-CD2 3.46Å; Y99-L103 HydrophobicContact CE1-CG 3.49Å; Y99-L103 VanDerWaalsContact CE1-CG 3.49Å; Y99-L103 HydrophobicContact CG-CG 4.38Å; Y99-L103 WeakPolarHBondContact O-CB 3.05Å; Y99-L103 WeakPolarHBondContact O-CG 3.09Å; Y99-L103 PolarHBondContact O-N 2.79Å; L103-K105 VanDerWaalsContact C-N 3.29Å; L103-K105 PolarHBondContact O-N 3.34Å; L103-R106 PolarHBondContact O-N 3.38Å; L103-Y107 HydrophobicContact CD2-CD2 4.29Å; L103-Y107 HydrophobicContact CD2-CE2 3.68Å; L103-Y107 VanDerWaalsContact O-CD2 3.26Å; L103-Y107 WeakPolarHBondContact O-CD2 3.33Å; L103-Y107 PolarHBondContact O-N 3.13Å
104K95.2Very high95.5Very high65 Ų6569 Ų6928%0.28334%0.34SS..Hα-helixtrans-58.9-42.6176.1-74.7177.572.5174.10111.7F33 R100 H101 E102 D108 I109F33-K104 HydrophobicContact CD1-CG 3.66Å; F33-K104 HydrophobicContact CE1-CB 4.5Å; F33-K104 HydrophobicContact CE1-CG 3.69Å; R100-K104 VanDerWaalsContact O-CG 3.32Å; R100-K104 WeakPolarHBondContact O-CG 3.32Å; R100-K104 PolarHBondContact O-N 2.86Å; H101-K104 PolarHBondContact O-N 3.41Å; E102-K104 PolarHBondContact O-N 2.8Å; K104-D108 PolarHBondContact O-N 3.38Å; K104-I109 HydrophobicContact CB-CB 4.27Å; K104-I109 HydrophobicContact CG-CB 4.31Å; K104-I109 PolarHBondContact O-N 2.88Å
105K95.9Very high95.6Very high185 Ų18567.5 Ų67.580%0.80433%0.33SS*.Hα-helixtrans-69.4-46176.9-173.6178178.5-178.30111.9H101 E102 L103 Y107 D108H101-K105 PolarHBondContact O-N 3.21Å; E102-K105 PolarHBondContact O-N 3.06Å; L103-K105 VanDerWaalsContact C-N 3.29Å; L103-K105 PolarHBondContact O-N 3.34Å; K105-Y107 VanDerWaalsContact C-N 3.28Å; K105-Y107 PolarHBondContact O-N 3.38Å; K105-D108 PolarHBondContact O-N 2.81Å
106R95.4Very high95.7Very high128 Ų12866.3 Ų66.348%0.48333%0.325SS..Hα-helixtrans-58.7-37.9-177.8179.1174.2177.3169.70112.4E102 L103E102-R106 VanDerWaalsContact O-CB 3.22Å; E102-R106 WeakPolarHBondContact O-CB 3.3Å; E102-R106 PolarHBondContact O-N 3.07Å; L103-R106 PolarHBondContact O-N 3.38Å
107Y96.2Very high95.8Very high24 Ų2458.9 Ų58.99%0.09429%0.29CS..THydrogen-bonded Turntrans-104.814.4-178.2-60.4-66.8000114V4 L31 F33 L103 K105 I109 V116 V118 G122 V124V4-Y107 VanDerWaalsContact CG2-OH 3.29Å; V4-Y107 WeakPolarHBondContact CG2-OH 3.41Å; L31-Y107 HydrophobicContact CD1-CD2 3.82Å; L31-Y107 HydrophobicContact CD1-CE2 3.25Å; F33-Y107 HydrophobicContact CZ-CD2 4.25Å; L103-Y107 HydrophobicContact CD2-CD2 4.29Å; L103-Y107 HydrophobicContact CD2-CE2 3.68Å; L103-Y107 VanDerWaalsContact O-CD2 3.26Å; L103-Y107 WeakPolarHBondContact O-CD2 3.33Å; L103-Y107 PolarHBondContact O-N 3.13Å; K105-Y107 VanDerWaalsContact C-N 3.28Å; K105-Y107 PolarHBondContact O-N 3.38Å; Y107-I109 PolarHBondContact O-N 2.93Å; Y107-V116 HydrophobicContact CD1-CG1 4.01Å; Y107-V116 HydrophobicContact CE1-CG1 4.47Å; Y107-V116 HydrophobicContact CG-CG1 4.3Å; Y107-V118 HydrophobicContact CE1-CG1 3.84Å; Y107-G122 WeakPolarHBondContact OH-CA 3.38Å; Y107-G122 PolarHBondContact OH-O 2.76Å; Y107-G122 VanDerWaalsContact OH-O 3.06Å; Y107-V124 HydrophobicContact CD1-CG2 3.67Å; Y107-V124 HydrophobicContact CE1-CG2 3.59Å
108D95.4Very high95.8Very high121 Ų12157.8 Ų57.865%0.64729%0.285SS*.THydrogen-bonded Turntrans50.450.7177.3-167.935.9000113.4K104 K105 T110K104-D108 PolarHBondContact O-N 3.38Å; K105-D108 PolarHBondContact O-N 2.81Å; D108-T110 PolarHBondContact O-N 2.87Å; D108-T110 VanDerWaalsContact O-N 3.09Å
109I96.1Very high95.5Very high18 Ų1856.6 Ų56.69%0.09227%0.272CS..  trans-81.793.1-176.7-49.6-63.2000109.7F33 K104 Y107 I112 K114 V116F33-I109 HydrophobicContact CB-CG2 3.92Å; F33-I109 HydrophobicContact CD1-CB 4.48Å; F33-I109 HydrophobicContact CD1-CG1 3.99Å; F33-I109 HydrophobicContact CD1-CG2 4.2Å; F33-I109 HydrophobicContact CD2-CD1 3.69Å; F33-I109 HydrophobicContact CD2-CG1 3.94Å; F33-I109 HydrophobicContact CD2-CG2 4.43Å; F33-I109 HydrophobicContact CE1-CG1 3.86Å; F33-I109 HydrophobicContact CE2-CD1 3.63Å; F33-I109 HydrophobicContact CE2-CG1 3.83Å; F33-I109 HydrophobicContact CG-CD1 4.22Å; F33-I109 HydrophobicContact CG-CG1 4.02Å; F33-I109 HydrophobicContact CG-CG2 3.94Å; F33-I109 HydrophobicContact CZ-CD1 4.09Å; F33-I109 HydrophobicContact CZ-CG1 3.79Å; K104-I109 HydrophobicContact CB-CB 4.27Å; K104-I109 HydrophobicContact CG-CB 4.31Å; K104-I109 PolarHBondContact O-N 2.88Å; Y107-I109 PolarHBondContact O-N 2.93Å; I109-I112 HydrophobicContact CG2-CG2 4.29Å; I109-K114 HydrophobicContact CD1-CB 4.24Å; I109-K114 HydrophobicContact CD1-CG 3.67Å; I109-K114 HydrophobicContact CG2-CB 4.2Å; I109-V116 HydrophobicContact CD1-CG2 3.74Å
110T93.1Very high94.9Very high116 Ų11658.2 Ų58.271%0.71228%0.28SS*.  trans-96-25.1179530000113.8D108D108-T110 PolarHBondContact O-N 2.87Å; D108-T110 VanDerWaalsContact O-N 3.09Å
111V94.1Very high94.4Very high104 Ų10459.8 Ų59.863%0.6329%0.289SS*.SBendtrans-135.8140.8-177.2-1780000110
112I95.8Very high94.2Very high45 Ų4554.7 Ų54.723%0.23127%0.267CS..SBendtrans-116.5151.5175.159.8169.9000111.1F33 A35 C38 A72 I109F33-I112 HydrophobicContact CB-CG2 4.14Å; A35-I112 HydrophobicContact CB-CD1 3.72Å; C38-I112 HydrophobicContact CB-CD1 4.04Å; C38-I112 HydrophobicContact CB-CG1 4.5Å; A72-I112 HydrophobicContact CB-CD1 3.91Å; A72-I112 HydrophobicContact CB-CG2 4.43Å; I109-I112 HydrophobicContact CG2-CG2 4.29Å
113P96.3Very high94Very high6 Ų651.9 Ų51.94%0.03926%0.262CS..SBendcis-74.4142.8-2.331.5-37.3000112.6Y32 F33 A34 P40 F44Y32-P113 HydrophobicContact CE2-CB 3.92Å; F33-P113 CarbonylContact O-C 3.59Å; F33-P113 VanDerWaalsContact O-CA 3.27Å; F33-P113 WeakPolarHBondContact O-CA 3.42Å; A34-P113 HydrophobicContact CB-CB 4.35Å; P40-P113 HydrophobicContact CB-CG 4.43Å; P40-P113 VanDerWaalsContact O-CG 3.32Å; P40-P113 WeakPolarHBondContact O-CG 3.4Å; F44-P113 HydrophobicContact CB-CG 4.07Å; F44-P113 HydrophobicContact CD1-CB 4.22Å; F44-P113 HydrophobicContact CD1-CG 4.37Å
114K97.7Very high93.9Very high64 Ų6455.6 Ų55.628%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-128.8135.5175.1-16769.5162.5177.90109.3F33 I109 V116 N127F33-K114 HydrophobicContact CB-CB 4.33Å; F33-K114 HydrophobicContact CD2-CB 4.47Å; F33-K114 PolarHBondContact N-O 3.26Å; F33-K114 PolarHBondContact O-N 3.1Å; I109-K114 HydrophobicContact CD1-CB 4.24Å; I109-K114 HydrophobicContact CD1-CG 3.67Å; I109-K114 HydrophobicContact CG2-CB 4.2Å; K114-V116 HydrophobicContact CG-CG2 4.06Å; K114-N127 WeakPolarHBondContact CE-O 3.38Å; K114-N127 PolarHBondContact NZ-O 2.77Å
115L97.8Very high93.9Very high1 Ų154.2 Ų54.21%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-120.2113.1174.3-167.774.3000107.8A30 L31 Y32 F44 L48 G129 R130 I133A30-L115 HydrophobicContact CB-CD1 3.91Å; A30-L115 HydrophobicContact CB-CG 4.26Å; L31-L115 WeakPolarHBondContact O-CA 3.3Å; Y32-L115 HydrophobicContact CD2-CD1 3.97Å; Y32-L115 HydrophobicContact CG-CD1 4.15Å; F44-L115 HydrophobicContact CE1-CB 4.43Å; F44-L115 HydrophobicContact CZ-CD2 4.33Å; L48-L115 HydrophobicContact CD1-CD1 4.37Å; L48-L115 HydrophobicContact CD1-CD2 3.95Å; L48-L115 HydrophobicContact CD2-CD1 4.02Å; L115-G129 PolarHBondContact O-N 3.03Å; L115-R130 HydrophobicContact CB-CB 4.35Å; L115-I133 HydrophobicContact CD2-CD1 3.45Å; L115-I133 VanDerWaalsContact CD2-CD1 3.45Å
116V97.9Very high93.9Very high2 Ų246.1 Ų46.11%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-108.9118.7176.9-1740000107.8L31 F33 Y107 I109 K114 V118 V124 T126L31-V116 PolarHBondContact N-O 2.87Å; L31-V116 PolarHBondContact O-N 3.21Å; F33-V116 HydrophobicContact CE2-CB 4.49Å; F33-V116 HydrophobicContact CE2-CG2 4.13Å; Y107-V116 HydrophobicContact CD1-CG1 4.01Å; Y107-V116 HydrophobicContact CE1-CG1 4.47Å; Y107-V116 HydrophobicContact CG-CG1 4.3Å; I109-V116 HydrophobicContact CD1-CG2 3.74Å; K114-V116 HydrophobicContact CG-CG2 4.06Å; V116-V118 HydrophobicContact CG1-CG1 3.88Å; V116-V124 HydrophobicContact CG1-CG1 4.22Å; V116-V124 HydrophobicContact CG1-CG2 4.29Å; V116-T126 WeakPolarHBondContact CA-O 3.39Å
117V96.6Very high93.9Very high0 Ų043.9 Ų43.90%024%0.243CC..EExtended strand (participates in β ladder)trans-94.9128.7177.2-170.80000107.8V28 V29 A30 I125 T126 W144V28-V117 HydrophobicContact CG1-CG1 3.27Å; V29-V117 WeakPolarHBondContact O-CA 3.43Å; A30-V117 HydrophobicContact CB-CG2 4.39Å; V117-I125 HydrophobicContact CB-CB 4.44Å; V117-I125 HydrophobicContact CG1-CB 4.34Å; V117-I125 HydrophobicContact CG1-CD1 4.18Å; V117-I125 WeakPolarHBondContact O-CB 3.4Å; V117-I125 PolarHBondContact O-N 2.98Å; V117-T126 HydrophobicContact CB-CG2 3.51Å; V117-T126 HydrophobicContact CG2-CG2 3.57Å; V117-T126 PolarHBondContact N-O 2.91Å; V117-T126 PolarHBondContact O-N 2.9Å; V117-T126 VanDerWaalsContact O-N 3.11Å; V117-W144 HydrophobicContact CB-CD2 4.43Å; V117-W144 HydrophobicContact CG1-CB 4.31Å; V117-W144 HydrophobicContact CG1-CD2 4.03Å; V117-W144 HydrophobicContact CG1-CE3 4.04Å; V117-W144 HydrophobicContact CG1-CG 4.15Å; V117-W144 HydrophobicContact CG2-CD2 3.98Å; V117-W144 HydrophobicContact CG2-CE3 3.96Å; V117-W144 HydrophobicContact CG2-CH2 3.93Å; V117-W144 HydrophobicContact CG2-CZ2 3.91Å; V117-W144 HydrophobicContact CG2-CZ3 3.95Å
118V94.4Very high93.9Very high0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-130.8154.2-174.6-58.70000110.5V4 V29 L31 Y107 V116 A123 V124V4-V118 HydrophobicContact CG1-CG2 4.43Å; V29-V118 HydrophobicContact CB-CG2 3.99Å; V29-V118 HydrophobicContact CG1-CG2 4.32Å; V29-V118 PolarHBondContact N-O 2.81Å; V29-V118 WeakPolarHBondContact O-CG2 3.39Å; V29-V118 PolarHBondContact O-N 2.79Å; L31-V118 HydrophobicContact CD1-CG1 4.39Å; L31-V118 HydrophobicContact CD1-CG2 4.34Å; L31-V118 HydrophobicContact CG-CG2 4.31Å; Y107-V118 HydrophobicContact CE1-CG1 3.84Å; V116-V118 HydrophobicContact CG1-CG1 3.88Å; V118-A123 CarbonylContact C-O 3.52Å; V118-A123 VanDerWaalsContact CA-O 3.22Å; V118-A123 WeakPolarHBondContact CA-O 3.24Å; V118-A123 WeakPolarHBondContact CB-O 3.34Å; V118-V124 HydrophobicContact CG1-CG2 4.41Å
119K89.1Confident93.9Very high54 Ų5443 Ų4324%0.23523%0.234CC..  trans-66.7164.7161.4-54.1-164.9-174.8-155.80109.2N121 G122 A123 I125 A147 D149K119-N121 WeakPolarHBondContact CB-OD1 3.43Å; K119-N121 PolarHBondContact O-N 2.87Å; K119-N121 VanDerWaalsContact O-N 3.09Å; K119-G122 PolarHBondContact O-N 3.15Å; K119-A123 HydrophobicContact CB-CB 4.38Å; K119-A123 HydrophobicContact CD-CB 4.28Å; K119-A123 HydrophobicContact CG-CB 4.25Å; K119-A123 PolarHBondContact N-O 2.8Å; K119-I125 HydrophobicContact CG-CD1 4Å; K119-I125 HydrophobicContact CG-CG1 3.86Å; K119-A147 WeakPolarHBondContact CE-O 3.34Å; K119-A147 PolarHBondContact NZ-O 3.34Å; K119-D149 IonicContact NZ-OD2 2.66Å; K119-D149 PolarHBondContact NZ-OD2 3.01Å
120Q83Confident93.9Very high59 Ų5945.8 Ų45.828%0.27624%0.243SC..THydrogen-bonded Turntrans-53-34.9176.5-167.8172.99.400112.9D3 V4 G122D3-Q120 CarbonylContact C-O 3.53Å; D3-Q120 VanDerWaalsContact CA-O 3.31Å; D3-Q120 WeakPolarHBondContact CA-O 3.11Å; D3-Q120 HydrophobicContact CB-CG 4.28Å; D3-Q120 WeakPolarHBondContact OD2-CG 3.28Å; D3-Q120 PolarHBondContact OD2-NE2 3.47Å; V4-Q120 PolarHBondContact N-O 3.37Å; Q120-G122 PolarHBondContact O-N 3.04Å
121N86Confident94.1Very high50 Ų5045.8 Ų45.827%0.26723%0.233SC..THydrogen-bonded Turntrans-77.10.1177.770.36000115.3M1 V2 K119 A123M1-N121 HydrophobicContact CG-CB 3.65Å; M1-N121 HydrophobicContact SD-CB 3.65Å; M1-N121 PolarHBondContact SD-ND2 3.35Å; V2-N121 WeakPolarHBondContact O-CA 3.28Å; K119-N121 WeakPolarHBondContact CB-OD1 3.43Å; K119-N121 PolarHBondContact O-N 2.87Å; K119-N121 VanDerWaalsContact O-N 3.09Å; N121-A123 WeakPolarHBondContact OD1-CB 3.36Å; N121-A123 PolarHBondContact OD1-N 3.18Å
122G89.7Confident94.1Very high4 Ų442.7 Ų42.74%0.04121%0.212CC..SBendtrans81.99.4-177.700000115Y107 K119 Q120Y107-G122 WeakPolarHBondContact OH-CA 3.38Å; Y107-G122 PolarHBondContact OH-O 2.76Å; Y107-G122 VanDerWaalsContact OH-O 3.06Å; K119-G122 PolarHBondContact O-N 3.15Å; Q120-G122 PolarHBondContact O-N 3.04Å
123A91.5Very high94.1Very high44 Ų4440.8 Ų40.836%0.36420%0.202SC..  trans-68.1131.8167.800000109.6V118 K119 N121 I125V118-A123 CarbonylContact C-O 3.52Å; V118-A123 VanDerWaalsContact CA-O 3.22Å; V118-A123 WeakPolarHBondContact CA-O 3.24Å; V118-A123 WeakPolarHBondContact CB-O 3.34Å; K119-A123 HydrophobicContact CB-CB 4.38Å; K119-A123 HydrophobicContact CD-CB 4.28Å; K119-A123 HydrophobicContact CG-CB 4.25Å; K119-A123 PolarHBondContact N-O 2.8Å; N121-A123 WeakPolarHBondContact OD1-CB 3.36Å; N121-A123 PolarHBondContact OD1-N 3.18Å; A123-I125 PolarHBondContact O-N 2.99Å
124V95.3Very high94.1Very high77 Ų7746.7 Ų46.747%0.46722%0.224SC..EExtended strand (participates in β ladder)trans-73123.9-176.7178.90000110.3Y107 V116 V118Y107-V124 HydrophobicContact CD1-CG2 3.67Å; Y107-V124 HydrophobicContact CE1-CG2 3.59Å; V116-V124 HydrophobicContact CG1-CG1 4.22Å; V116-V124 HydrophobicContact CG1-CG2 4.29Å; V118-V124 HydrophobicContact CG1-CG2 4.41Å
125I94.6Very high93.9Very high36 Ų3649.5 Ų49.519%0.18524%0.238CC..EExtended strand (participates in β ladder)trans-83.9-45.9165.9-65.4164.7000109V28 V117 K119 A123 W144 A147 A148V28-I125 HydrophobicContact CG1-CD1 4.29Å; V117-I125 HydrophobicContact CB-CB 4.44Å; V117-I125 HydrophobicContact CG1-CB 4.34Å; V117-I125 HydrophobicContact CG1-CD1 4.18Å; V117-I125 WeakPolarHBondContact O-CB 3.4Å; V117-I125 PolarHBondContact O-N 2.98Å; K119-I125 HydrophobicContact CG-CD1 4Å; K119-I125 HydrophobicContact CG-CG1 3.86Å; A123-I125 PolarHBondContact O-N 2.99Å; I125-W144 HydrophobicContact CG2-CB 4.25Å; I125-W144 HydrophobicContact CG2-CG 4.33Å; I125-A147 HydrophobicContact CG1-CB 4.31Å; I125-A147 HydrophobicContact CG2-CB 3.72Å; I125-A148 HydrophobicContact CD1-CB 3.67Å
126T95.9Very high93.7Very high15 Ų1556.3 Ų56.39%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-157.2140.8176.8176.10000111.6V116 V117 K128 Q132 W144V116-T126 WeakPolarHBondContact CA-O 3.39Å; V117-T126 HydrophobicContact CB-CG2 3.51Å; V117-T126 HydrophobicContact CG2-CG2 3.57Å; V117-T126 PolarHBondContact N-O 2.91Å; V117-T126 PolarHBondContact O-N 2.9Å; V117-T126 VanDerWaalsContact O-N 3.11Å; T126-K128 PolarHBondContact OG1-N 3.13Å; T126-Q132 VanDerWaalsContact CG2-OE1 3.27Å; T126-Q132 PolarHBondContact OG1-OE1 3.4Å; T126-Q132 VanDerWaalsContact OG1-OE1 3.08Å; T126-W144 HydrophobicContact CG2-CZ2 4.41Å
127N95.9Very high93.4Very high81 Ų8157.7 Ų57.743%0.43328%0.278SS..SBendtrans-100.39.216867.6-3.8000112.4K114K114-N127 WeakPolarHBondContact CE-O 3.38Å; K114-N127 PolarHBondContact NZ-O 2.77Å
128K95.6Very high93.1Very high128 Ų12860.8 Ų60.856%0.55729%0.294SS*.  trans-113.622.2-178.6-60.4-178.9-174.7171.90111.9T126 R130 K131 Q132T126-K128 PolarHBondContact OG1-N 3.13Å; K128-R130 VanDerWaalsContact C-N 3.29Å; K128-R130 PolarHBondContact O-N 2.98Å; K128-K131 HydrophobicContact CB-CB 4.4Å; K128-K131 WeakPolarHBondContact O-CA 3.14Å; K128-K131 WeakPolarHBondContact O-CB 3.34Å; K128-K131 PolarHBondContact O-N 2.77Å; K128-Q132 PolarHBondContact O-N 2.66Å
129G96.3Very high92.8Very high0 Ų063.7 Ų63.70%032%0.318CS..Hα-helixtrans-52-45.4-175.200000112.9L115 K131 Q132 I133L115-G129 PolarHBondContact O-N 3.03Å; G129-K131 VanDerWaalsContact C-N 3.32Å; G129-K131 PolarHBondContact O-N 2.82Å; G129-Q132 PolarHBondContact O-N 2.74Å; G129-I133 WeakPolarHBondContact O-CG1 3.33Å; G129-I133 PolarHBondContact O-N 3.01Å
130R95.9Very high92.9Very high76 Ų7661.2 Ų61.229%0.28731%0.307SS..Hα-helixtrans-56.2-42.4175.3173.2174177.4-124.1-0.5113.2F44 L115 K128 R134F44-R130 HydrophobicContact CD1-CG 4.25Å; F44-R130 HydrophobicContact CD2-CG 3.81Å; F44-R130 HydrophobicContact CE1-CB 4.1Å; F44-R130 HydrophobicContact CE1-CG 4.13Å; F44-R130 HydrophobicContact CE2-CB 4.13Å; F44-R130 HydrophobicContact CE2-CG 3.68Å; F44-R130 HydrophobicContact CG-CG 4.09Å; F44-R130 HydrophobicContact CZ-CB 3.82Å; F44-R130 HydrophobicContact CZ-CG 3.85Å; L115-R130 HydrophobicContact CB-CB 4.35Å; K128-R130 VanDerWaalsContact C-N 3.29Å; K128-R130 PolarHBondContact O-N 2.98Å; R130-R134 WeakPolarHBondContact O-CG 3.2Å; R130-R134 PolarHBondContact O-N 2.74Å
131K96Very high93.2Very high115 Ų11559.5 Ų59.550%0.530%0.299SS..Hα-helixtrans-69.5-44.8179.5-177.8178.2178.5178.40110.3K128 G129 R134 E135K128-K131 HydrophobicContact CB-CB 4.4Å; K128-K131 WeakPolarHBondContact O-CA 3.14Å; K128-K131 WeakPolarHBondContact O-CB 3.34Å; K128-K131 PolarHBondContact O-N 2.77Å; G129-K131 VanDerWaalsContact C-N 3.32Å; G129-K131 PolarHBondContact O-N 2.82Å; K131-R134 PolarHBondContact O-N 2.63Å; K131-E135 WeakPolarHBondContact CE-OE1 3.16Å; K131-E135 VanDerWaalsContact CE-OE2 3.28Å; K131-E135 WeakPolarHBondContact CE-OE2 3.19Å; K131-E135 HydrophobicContact CG-CG 4.35Å; K131-E135 IonicContact NZ-OE1 3.63Å; K131-E135 WeakPolarHBondContact O-CB 3.37Å; K131-E135 WeakPolarHBondContact O-CG 3.44Å; K131-E135 PolarHBondContact O-N 3.48Å
132Q96Very high93.2Very high39 Ų3963.5 Ų63.518%0.18232%0.316CS..Hα-helixtrans-62.8-43.2-179.9-74.1175.6-3900112.5T126 K128 G129 R134 E135 R136 C140 W144T126-Q132 VanDerWaalsContact CG2-OE1 3.27Å; T126-Q132 PolarHBondContact OG1-OE1 3.4Å; T126-Q132 VanDerWaalsContact OG1-OE1 3.08Å; K128-Q132 PolarHBondContact O-N 2.66Å; G129-Q132 PolarHBondContact O-N 2.74Å; Q132-R134 VanDerWaalsContact C-N 3.35Å; Q132-R134 PolarHBondContact O-N 3.05Å; Q132-E135 PolarHBondContact O-N 3.21Å; Q132-R136 WeakPolarHBondContact O-CB 3.32Å; Q132-R136 PolarHBondContact O-N 2.89Å; Q132-C140 HydrophobicContact CB-CB 3.91Å; Q132-W144 HydrophobicContact CB-CZ2 4.11Å
133I95.8Very high93.2Very high5 Ų566 Ų663%0.02633%0.333CS..Hα-helixtrans-60.1-46.2174.6-68.2175.6000110.6F44 L47 L48 F51 L115 G129 E135 G137 W144F44-I133 HydrophobicContact CE2-CG2 4.45Å; F44-I133 HydrophobicContact CZ-CD1 4.23Å; L47-I133 HydrophobicContact CD2-CG2 4.08Å; L47-I133 HydrophobicContact CG-CG2 3.98Å; L48-I133 HydrophobicContact CD1-CD1 3.64Å; F51-I133 HydrophobicContact CB-CG2 4.24Å; F51-I133 HydrophobicContact CD1-CD1 3.87Å; F51-I133 HydrophobicContact CD1-CG1 4.37Å; F51-I133 HydrophobicContact CD2-CD1 4.37Å; F51-I133 HydrophobicContact CD2-CG1 4.05Å; F51-I133 HydrophobicContact CD2-CG2 4.01Å; F51-I133 HydrophobicContact CE1-CD1 4.03Å; F51-I133 HydrophobicContact CE1-CG1 4.31Å; F51-I133 HydrophobicContact CE2-CG1 3.98Å; F51-I133 HydrophobicContact CG-CD1 4.05Å; F51-I133 HydrophobicContact CG-CG1 4.24Å; F51-I133 HydrophobicContact CG-CG2 4.19Å; F51-I133 HydrophobicContact CZ-CD1 4.34Å; F51-I133 HydrophobicContact CZ-CG1 4.11Å; L115-I133 HydrophobicContact CD2-CD1 3.45Å; L115-I133 VanDerWaalsContact CD2-CD1 3.45Å; G129-I133 WeakPolarHBondContact O-CG1 3.33Å; G129-I133 PolarHBondContact O-N 3.01Å; I133-E135 PolarHBondContact O-N 3.47Å; I133-G137 VanDerWaalsContact O-CA 3.3Å; I133-G137 WeakPolarHBondContact O-CA 2.96Å; I133-G137 PolarHBondContact O-N 2.8Å; I133-W144 HydrophobicContact CD1-CH2 3.98Å; I133-W144 HydrophobicContact CG1-CH2 3.74Å; I133-W144 HydrophobicContact CG1-CZ2 4.44Å
134R94.3Very high93.2Very high130 Ų13064 Ų6449%0.49132%0.316SS..Hα-helixtrans-63.3-37.7179.8-77.2-179.7171.7-144.4-5.1113.7L47 R130 K131 Q132L47-R134 HydrophobicContact CD2-CG 3.55Å; R130-R134 WeakPolarHBondContact O-CG 3.2Å; R130-R134 PolarHBondContact O-N 2.74Å; K131-R134 PolarHBondContact O-N 2.63Å; Q132-R134 VanDerWaalsContact C-N 3.35Å; Q132-R134 PolarHBondContact O-N 3.05Å
135E95Very high92.8Very high124 Ų12461.1 Ų61.158%0.57930%0.299SS*.Hα-helixtrans-89.6-30.5-174.4-70.6178.1165.400113.4K131 Q132 I133K131-E135 WeakPolarHBondContact CE-OE1 3.16Å; K131-E135 VanDerWaalsContact CE-OE2 3.28Å; K131-E135 WeakPolarHBondContact CE-OE2 3.19Å; K131-E135 HydrophobicContact CG-CG 4.35Å; K131-E135 IonicContact NZ-OE1 3.63Å; K131-E135 WeakPolarHBondContact O-CB 3.37Å; K131-E135 WeakPolarHBondContact O-CG 3.44Å; K131-E135 PolarHBondContact O-N 3.48Å; Q132-E135 PolarHBondContact O-N 3.21Å; I133-E135 PolarHBondContact O-N 3.47Å
136R92.9Very high92.4Very high144 Ų14466.2 Ų66.254%0.54332%0.322SS..Hα-helixtrans-124.5-9.9-168.4-55.6-177.6-177.5-168.6-3.6113.9Q132 A139 C140Q132-R136 WeakPolarHBondContact O-CB 3.32Å; Q132-R136 PolarHBondContact O-N 2.89Å; R136-A139 WeakPolarHBondContact O-CB 3.26Å; R136-A139 PolarHBondContact O-N 3.47Å; R136-C140 HydrophobicContact CB-CB 4.1Å
137G91.8Very high91.9Very high30 Ų3067.4 Ų67.431%0.30933%0.333SS..THydrogen-bonded Turntrans53.2-140.6-174.800000111.8F51 I133 A139 C140F51-G137 WeakPolarHBondContact CE2-O 3.27Å; I133-G137 VanDerWaalsContact O-CA 3.3Å; I133-G137 WeakPolarHBondContact O-CA 2.96Å; I133-G137 PolarHBondContact O-N 2.8Å; G137-A139 PolarHBondContact O-N 2.84Å; G137-A139 VanDerWaalsContact O-N 3.12Å; G137-C140 PolarHBondContact O-N 2.96Å; G137-C140 PolarHBondContact O-SG 2.65Å
138L89.9Confident91.2Very high66 Ų6664.2 Ų64.235%0.34632%0.317SS..THydrogen-bonded Turntrans-57.4-26.5-178.7-60.7175.4000113.9F51 E54 L55 C140 F141F51-L138 HydrophobicContact CD2-CD2 3.77Å; F51-L138 HydrophobicContact CE2-CD2 4.03Å; F51-L138 HydrophobicContact CG-CD2 4.39Å; E54-L138 HydrophobicContact CB-CD1 3.96Å; E54-L138 HydrophobicContact CB-CD2 3.86Å; E54-L138 HydrophobicContact CG-CD1 4.43Å; L55-L138 HydrophobicContact CD2-CD2 3.9Å; L55-L138 HydrophobicContact CG-CD2 3.88Å; L138-C140 PolarHBondContact O-N 3.46Å; L138-C140 VanDerWaalsContact O-N 3.16Å; L138-F141 VanDerWaalsContact O-CB 3.24Å; L138-F141 WeakPolarHBondContact O-CB 3.47Å; L138-F141 PolarHBondContact O-N 3.47Å
139A89.3Confident90Very high61 Ų6162.3 Ų62.350%0.50431%0.313SS..Hα-helixtrans-63.5-23.9-177.900000113.4R136 G137 F141R136-A139 WeakPolarHBondContact O-CB 3.26Å; R136-A139 PolarHBondContact O-N 3.47Å; G137-A139 PolarHBondContact O-N 2.84Å; G137-A139 VanDerWaalsContact O-N 3.12Å; A139-F141 PolarHBondContact O-N 2.63Å
140C90.6Very high88.3Confident1 Ų163.2 Ų63.21%0.00732%0.319CS..Hα-helixtrans-69.8-20.8175.870.10000113.4Q132 R136 G137 L138 Q142 S143 W144Q132-C140 HydrophobicContact CB-CB 3.91Å; R136-C140 HydrophobicContact CB-CB 4.1Å; G137-C140 PolarHBondContact O-N 2.96Å; G137-C140 PolarHBondContact O-SG 2.65Å; L138-C140 PolarHBondContact O-N 3.46Å; L138-C140 VanDerWaalsContact O-N 3.16Å; C140-Q142 VanDerWaalsContact C-N 3.34Å; C140-Q142 PolarHBondContact O-N 2.65Å; C140-S143 PolarHBondContact O-N 3.12Å; C140-W144 HydrophobicContact CB-CZ2 4.27Å; C140-W144 PolarHBondContact O-N 3.45Å; C140-W144 WeakPolarHBondContact SG-CZ2 3.3Å
141F89.6Confident86.2Confident23 Ų2366 Ų6610%0.10133%0.333CS..Hα-helixtrans-65.1-37.9-176.4-174.8-119.6000112.3V28 F51 L55 P64 F65 L138 A139 S143 W144 V145V28-F141 HydrophobicContact CB-CE2 4.25Å; V28-F141 HydrophobicContact CG2-CE2 4.32Å; F51-F141 HydrophobicContact CZ-CB 4.2Å; L55-F141 HydrophobicContact CD1-CB 4.18Å; L55-F141 HydrophobicContact CD1-CD1 4.05Å; L55-F141 HydrophobicContact CD1-CD2 3.68Å; L55-F141 HydrophobicContact CD1-CE1 4.38Å; L55-F141 HydrophobicContact CD1-CE2 4.08Å; L55-F141 HydrophobicContact CD1-CG 3.69Å; L55-F141 HydrophobicContact CD1-CZ 4.4Å; L55-F141 HydrophobicContact CD2-CB 4.12Å; L55-F141 HydrophobicContact CD2-CD1 3.52Å; L55-F141 HydrophobicContact CD2-CE1 4.08Å; L55-F141 HydrophobicContact CD2-CG 3.83Å; L55-F141 HydrophobicContact CG-CD1 4.43Å; L55-F141 HydrophobicContact CG-CG 4.45Å; P64-F141 HydrophobicContact CB-CZ 4.44Å; P64-F141 HydrophobicContact CG-CE1 3.98Å; P64-F141 HydrophobicContact CG-CZ 3.85Å; F65-F141 HydrophobicContact CB-CE2 3.62Å; F65-F141 HydrophobicContact CB-CZ 3.67Å; F65-F141 HydrophobicContact CD2-CD2 4.21Å; F65-F141 AromaticContact CD2-CE2 3.62Å; F65-F141 HydrophobicContact CD2-CE2 3.62Å; F65-F141 HydrophobicContact CG-CD2 4.46Å; F65-F141 AromaticContact CG-CE2 3.81Å; F65-F141 HydrophobicContact CG-CE2 3.81Å; F65-F141 HydrophobicContact CG-CZ 4.37Å; L138-F141 VanDerWaalsContact O-CB 3.24Å; L138-F141 WeakPolarHBondContact O-CB 3.47Å; L138-F141 PolarHBondContact O-N 3.47Å; A139-F141 PolarHBondContact O-N 2.63Å; F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 3.43Å; F141-W144 AromaticContact CD2-CE3 3.85Å; F141-W144 HydrophobicContact CD2-CE3 3.85Å; F141-W144 HydrophobicContact CD2-CZ3 4.48Å; F141-W144 WeakPolarHBondContact O-CA 3.24Å; F141-W144 WeakPolarHBondContact O-CB 3.46Å; F141-W144 PolarHBondContact O-N 3.18Å; F141-V145 HydrophobicContact CD1-CG2 3.91Å; F141-V145 HydrophobicContact CD2-CG2 4.24Å; F141-V145 HydrophobicContact CE1-CG2 3.46Å; F141-V145 VanDerWaalsContact CE1-CG2 3.46Å; F141-V145 HydrophobicContact CE2-CG2 3.78Å; F141-V145 HydrophobicContact CG-CG2 4.28Å; F141-V145 HydrophobicContact CZ-CG2 3.37Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 3.34Å
142Q86.1Confident83.8Confident135 Ų13568.2 Ų68.263%0.63135%0.345SS*.Hα-helixtrans-55.9-46.3177.5-69179.2-8.300111.6C140 W144 V145 E146C140-Q142 VanDerWaalsContact C-N 3.34Å; C140-Q142 PolarHBondContact O-N 2.65Å; Q142-W144 VanDerWaalsContact C-N 3.26Å; Q142-W144 PolarHBondContact O-N 3.39Å; Q142-V145 PolarHBondContact O-N 2.92Å; Q142-E146 WeakPolarHBondContact O-CG 3.32Å; Q142-E146 PolarHBondContact O-N 2.86Å
143S88.9Confident81.2Confident55 Ų5572.3 Ų72.339%0.38537%0.369SS..Hα-helixtrans-64.2-30.4176.9-530000113C140 F141 A147C140-S143 PolarHBondContact O-N 3.12Å; F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 3.43Å; S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.47Å; S143-A147 PolarHBondContact O-N 2.84Å
144W91.4Very high78.7Confident3 Ų378.6 Ų78.61%0.01140%0.396CS..Hα-helixtrans-73.6-41.1176.2-58.9-15.4000111.8V28 F51 F65 V117 I125 T126 Q132 I133 C140 F141 Q142 A147 A148V28-W144 HydrophobicContact CG1-CB 4.13Å; F51-W144 HydrophobicContact CE1-CH2 4.27Å; F51-W144 AromaticContact CE1-CZ3 3.79Å; F51-W144 HydrophobicContact CE1-CZ3 3.79Å; F51-W144 AromaticContact CZ-CH2 4Å; F51-W144 HydrophobicContact CZ-CH2 4Å; F51-W144 AromaticContact CZ-CZ3 3.67Å; F51-W144 HydrophobicContact CZ-CZ3 3.67Å; F65-W144 HydrophobicContact CE2-CE3 4.21Å; F65-W144 AromaticContact CE2-CZ3 3.95Å; F65-W144 HydrophobicContact CE2-CZ3 3.95Å; F65-W144 HydrophobicContact CZ-CZ3 4.22Å; V117-W144 HydrophobicContact CB-CD2 4.43Å; V117-W144 HydrophobicContact CG1-CB 4.31Å; V117-W144 HydrophobicContact CG1-CD2 4.03Å; V117-W144 HydrophobicContact CG1-CE3 4.04Å; V117-W144 HydrophobicContact CG1-CG 4.15Å; V117-W144 HydrophobicContact CG2-CD2 3.98Å; V117-W144 HydrophobicContact CG2-CE3 3.96Å; V117-W144 HydrophobicContact CG2-CH2 3.93Å; V117-W144 HydrophobicContact CG2-CZ2 3.91Å; V117-W144 HydrophobicContact CG2-CZ3 3.95Å; I125-W144 HydrophobicContact CG2-CB 4.25Å; I125-W144 HydrophobicContact CG2-CG 4.33Å; T126-W144 HydrophobicContact CG2-CZ2 4.41Å; Q132-W144 HydrophobicContact CB-CZ2 4.11Å; I133-W144 HydrophobicContact CD1-CH2 3.98Å; I133-W144 HydrophobicContact CG1-CH2 3.74Å; I133-W144 HydrophobicContact CG1-CZ2 4.44Å; C140-W144 HydrophobicContact CB-CZ2 4.27Å; C140-W144 PolarHBondContact O-N 3.45Å; C140-W144 WeakPolarHBondContact SG-CZ2 3.3Å; F141-W144 AromaticContact CD2-CE3 3.85Å; F141-W144 HydrophobicContact CD2-CE3 3.85Å; F141-W144 HydrophobicContact CD2-CZ3 4.48Å; F141-W144 WeakPolarHBondContact O-CA 3.24Å; F141-W144 WeakPolarHBondContact O-CB 3.46Å; F141-W144 PolarHBondContact O-N 3.18Å; Q142-W144 VanDerWaalsContact C-N 3.26Å; Q142-W144 PolarHBondContact O-N 3.39Å; W144-A147 PolarHBondContact O-N 2.87Å; W144-A148 VanDerWaalsContact O-CB 3.23Å; W144-A148 WeakPolarHBondContact O-CB 3.29Å; W144-A148 PolarHBondContact O-N 3.43Å
145V87.3Confident75.9Confident17 Ų1780.8 Ų80.810%0.10342%0.417CS..Hα-helixtrans-62.6-47.5177.3167.10000111.3V28 P64 F141 Q142 A147 A148 D149 F151V28-V145 HydrophobicContact CG2-CG2 4.1Å; P64-V145 HydrophobicContact CG-CG2 4.41Å; F141-V145 HydrophobicContact CD1-CG2 3.91Å; F141-V145 HydrophobicContact CD2-CG2 4.24Å; F141-V145 HydrophobicContact CE1-CG2 3.46Å; F141-V145 VanDerWaalsContact CE1-CG2 3.46Å; F141-V145 HydrophobicContact CE2-CG2 3.78Å; F141-V145 HydrophobicContact CG-CG2 4.28Å; F141-V145 HydrophobicContact CZ-CG2 3.37Å; F141-V145 WeakPolarHBondContact O-CG2 3.36Å; F141-V145 PolarHBondContact O-N 3.34Å; Q142-V145 PolarHBondContact O-N 2.92Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-A147 PolarHBondContact O-N 3.08Å; V145-A148 PolarHBondContact O-N 2.78Å; V145-A148 VanDerWaalsContact O-N 3.17Å; V145-D149 PolarHBondContact O-N 3.28Å; V145-F151 HydrophobicContact CG1-CD2 3.6Å; V145-F151 HydrophobicContact CG1-CE2 3.39Å
146E85.3Confident73.1Confident143 Ų14381.7 Ų81.767%0.66846%0.46SS*.Hα-helixtrans-57.8-47.9175.4-73.2171.8-179.200111Q142 A148 D149Q142-E146 WeakPolarHBondContact O-CG 3.32Å; Q142-E146 PolarHBondContact O-N 2.86Å; E146-A148 PolarHBondContact O-N 3.03Å; E146-D149 PolarHBondContact O-N 2.85Å
147A86.1Confident72.2Confident40 Ų4078.6 Ų78.633%0.33146%0.455SS..Hα-helixtrans-66.8-26.317900000113.2K119 I125 S143 W144 V145 D149K119-A147 WeakPolarHBondContact CE-O 3.34Å; K119-A147 PolarHBondContact NZ-O 3.34Å; I125-A147 HydrophobicContact CG1-CB 4.31Å; I125-A147 HydrophobicContact CG2-CB 3.72Å; S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.47Å; S143-A147 PolarHBondContact O-N 2.84Å; W144-A147 PolarHBondContact O-N 2.87Å; V145-A147 VanDerWaalsContact C-N 3.34Å; V145-A147 PolarHBondContact O-N 3.08Å; A147-D149 VanDerWaalsContact C-N 3.27Å; A147-D149 PolarHBondContact O-N 3.06Å
148A80.3Confident71.1Confident13 Ų1381.2 Ų81.211%0.10746%0.463CS..Hα-helixtrans-78.8-9.4-178.700000113.7V28 I125 W144 V145 E146 V150V28-A148 HydrophobicContact CG2-CB 3.71Å; I125-A148 HydrophobicContact CD1-CB 3.67Å; W144-A148 VanDerWaalsContact O-CB 3.23Å; W144-A148 WeakPolarHBondContact O-CB 3.29Å; W144-A148 PolarHBondContact O-N 3.43Å; V145-A148 PolarHBondContact O-N 2.78Å; V145-A148 VanDerWaalsContact O-N 3.17Å; E146-A148 PolarHBondContact O-N 3.03Å; A148-V150 HydrophobicContact CB-CG2 3.55Å; A148-V150 PolarHBondContact O-N 3.23Å; A148-V150 VanDerWaalsContact O-N 3.11Å
149D71.4Confident70.1Confident88 Ų8882 Ų8247%0.47147%0.47SS..THydrogen-bonded Turntrans55.221.5-175.6-53.3-59000113.7K119 V145 E146 A147 F151 Q152K119-D149 IonicContact NZ-OD2 2.66Å; K119-D149 PolarHBondContact NZ-OD2 3.01Å; V145-D149 PolarHBondContact O-N 3.28Å; E146-D149 PolarHBondContact O-N 2.85Å; A147-D149 VanDerWaalsContact C-N 3.27Å; A147-D149 PolarHBondContact O-N 3.06Å; D149-F151 PolarHBondContact O-N 2.99Å; D149-Q152 PolarHBondContact O-N 2.95Å; D149-Q152 VanDerWaalsContact O-N 3.14Å
150V61.1Low68.9Low19 Ų1983.2 Ų83.212%0.11547%0.468CS..THydrogen-bonded Turntrans-59.9-21.8-1741720000112.2N26 V28 P64 A148N26-V150 VanDerWaalsContact O-CG1 3.25Å; N26-V150 WeakPolarHBondContact O-CG1 3.43Å; V28-V150 HydrophobicContact CG2-CG2 4.27Å; P64-V150 HydrophobicContact CB-CG1 4.18Å; A148-V150 HydrophobicContact CB-CG2 3.55Å; A148-V150 PolarHBondContact O-N 3.23Å; A148-V150 VanDerWaalsContact O-N 3.11Å
151F50.3Low67.6Low135 Ų13588.4 Ų88.459%0.59250%0.496SS*.THydrogen-bonded Turntrans-93.5-4.8-178.2-79.7-83.3000115.9V145 D149 N153V145-F151 HydrophobicContact CG1-CD2 3.6Å; V145-F151 HydrophobicContact CG1-CE2 3.39Å; D149-F151 PolarHBondContact O-N 2.99Å; F151-N153 PolarHBondContact O-N 3.19Å
152Q47.3Very low66.1Low161 Ų16192.7 Ų92.775%0.75252%0.523SS*.THydrogen-bonded Turntrans-75.4-10.5178.5-74.2-86.3-40.500113.4D149D149-Q152 PolarHBondContact O-N 2.95Å; D149-Q152 VanDerWaalsContact O-N 3.14Å
153N40.3Very low64.7Low126 Ų12689.7 Ų89.767%0.67452%0.515SS*.THydrogen-bonded Turntrans-101.67-176.4-73.7-16.4000115.2F151F151-N153 PolarHBondContact O-N 3.19Å
154F44.6Very low62.8Low137 Ų13792.4 Ų92.460%0.60153%0.525SS*.SBendtrans-110.712.2179.8-73.2-78.8000114.3
155L34Very low60.5Low175 Ų17599.8 Ų99.892%0.91657%0.568SS**  trans-113.134.5174.7-73.4172.5000112.8
156G37.5Very low58Low144 Ų144107.4 Ų107.4100%1.48561%0.61SS**  trans-120.30170.600000111.1

Retrieved 156 of 156 residues in 198.5 ms (Link to these results)

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