A0A087XYX5_POEFO Loading...

NudC domain containing 2

AlphaFold DB , UniProt , Accession A0A087XYX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 157 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low57.5Low199 Ų19985.4 Ų85.498%0.9844%0.442SS*.  0-32.20-81.3-173.7-82.800111.5
2S47Very low59.9Low16 Ų1680.8 Ų80.811%0.11242%0.421CS..Hα-helixtrans-60.2-43.3174.421.20000114.7H4 F5 E6 E27S2-H4 PolarHBondContact O-N 3.19Å; S2-H4 VanDerWaalsContact O-N 3.13Å; S2-F5 PolarHBondContact O-N 3.45Å; S2-F5 VanDerWaalsContact O-N 3.07Å; S2-E6 PolarHBondContact O-N 3.02Å; S2-E6 VanDerWaalsContact O-N 3.09Å; S2-E27 PolarHBondContact OG-OE2 3.41Å
3V46.9Very low62.2Low106 Ų10678 Ų7864%0.64241%0.411SS*.Hα-helixtrans-56.5-32.6-179.1-64.60000114.7E7V3-E7 PolarHBondContact O-N 3.27Å
4H51.4Low64.4Low115 Ų11572.9 Ų72.953%0.53239%0.385SS..Hα-helixtrans-79.3-24.2-177.4-156.4-53000112.4S2S2-H4 PolarHBondContact O-N 3.19Å; S2-H4 VanDerWaalsContact O-N 3.13Å
5F54.7Low66.2Low14 Ų1478.3 Ų78.36%0.06140%0.404CS..Hα-helixtrans-83.2-41.4176179.5-103.4000111S2 E7 R8 S9 K121 L124 E125 Q128S2-F5 PolarHBondContact O-N 3.45Å; S2-F5 VanDerWaalsContact O-N 3.07Å; F5-E7 VanDerWaalsContact C-N 3.34Å; F5-E7 PolarHBondContact O-N 3.16Å; F5-R8 PolarHBondContact O-N 2.81Å; F5-S9 WeakPolarHBondContact O-CB 3.43Å; F5-S9 PolarHBondContact O-N 3.1Å; F5-K121 HydrophobicContact CE1-CG 4.11Å; F5-L124 HydrophobicContact CE2-CD2 4.17Å; F5-L124 HydrophobicContact CE2-CG 4.06Å; F5-L124 HydrophobicContact CZ-CB 3.94Å; F5-L124 HydrophobicContact CZ-CD2 3.75Å; F5-L124 HydrophobicContact CZ-CG 3.71Å; F5-E125 HydrophobicContact CD1-CB 4.01Å; F5-E125 HydrophobicContact CD1-CG 4Å; F5-E125 HydrophobicContact CE1-CB 3.71Å; F5-E125 HydrophobicContact CE1-CG 4.23Å; F5-E125 HydrophobicContact CZ-CB 4.27Å; F5-Q128 HydrophobicContact CD2-CG 4.29Å; F5-Q128 HydrophobicContact CE2-CB 4.5Å
6E59.4Low67.9Low19 Ų1974.5 Ų74.59%0.08939%0.385CS..Hα-helixtrans-61.3-39.3176.5-74-178.284.500113.2S2 R8 G10 V11 Y22 T24S2-E6 PolarHBondContact O-N 3.02Å; S2-E6 VanDerWaalsContact O-N 3.09Å; E6-R8 VanDerWaalsContact C-N 3.25Å; E6-R8 PolarHBondContact O-N 3Å; E6-G10 WeakPolarHBondContact O-CA 3.43Å; E6-G10 PolarHBondContact O-N 2.64Å; E6-V11 HydrophobicContact CB-CG1 4.42Å; E6-V11 HydrophobicContact CG-CG1 4.46Å; E6-Y22 WeakPolarHBondContact OE1-CE2 3.48Å; E6-T24 HydrophobicContact CG-CG2 3.88Å; E6-T24 WeakPolarHBondContact OE2-CG2 3.31Å
7E56.7Low69.2Low179 Ų17977.8 Ų77.884%0.83641%0.412SS*.Hα-helixtrans-68.5-24.1179.9-158.2174.493.500112.8V3 F5V3-E7 PolarHBondContact O-N 3.27Å; F5-E7 VanDerWaalsContact C-N 3.34Å; F5-E7 PolarHBondContact O-N 3.16Å
8R57.7Low70.5Confident149 Ų14975 Ų7556%0.56240%0.395SS*.Hα-helixtrans-96.6-42.1179.2-75-172.7170.5-179.3-1.4114.2F5 E6 D135F5-R8 PolarHBondContact O-N 2.81Å; E6-R8 VanDerWaalsContact C-N 3.25Å; E6-R8 PolarHBondContact O-N 3Å; R8-D135 IonicContact NH1-OD2 3.47Å; R8-D135 PolarHBondContact NH1-OD2 3.12Å
9S62.1Low71.7Confident45 Ų4571.5 Ų71.532%0.31538%0.379SS..Hα-helixtrans-86.3-16.5-177.2-176.30000112.6F5F5-S9 WeakPolarHBondContact O-CB 3.43Å; F5-S9 PolarHBondContact O-N 3.1Å
10G72.5Confident72.8Confident35 Ų3568.1 Ų68.136%0.36136%0.361SS..  trans77.7166.4-173.200000112.1E6 K121E6-G10 WeakPolarHBondContact O-CA 3.43Å; E6-G10 PolarHBondContact O-N 2.64Å; G10-K121 WeakPolarHBondContact O-CE 3.5Å; G10-K121 PolarHBondContact O-NZ 3.13Å
11V82.4Confident73.8Confident62 Ų6264.9 Ų64.938%0.37634%0.344SS..  trans-101.5151.2177.8-660000111.2E6 P13 Y22E6-V11 HydrophobicContact CB-CG1 4.42Å; E6-V11 HydrophobicContact CG-CG1 4.46Å; V11-P13 VanDerWaalsContact C-CD 3.44Å; V11-P13 WeakPolarHBondContact O-CD 3.37Å; V11-Y22 HydrophobicContact CB-CD2 4.07Å; V11-Y22 HydrophobicContact CB-CE2 4.38Å; V11-Y22 HydrophobicContact CB-CG 4.2Å; V11-Y22 HydrophobicContact CG1-CD2 3.82Å; V11-Y22 HydrophobicContact CG1-CE2 3.75Å; V11-Y22 HydrophobicContact CG1-CG 4.44Å
12V86.8Confident76.2Confident30 Ų3055.8 Ų55.818%0.18230%0.299CS..  trans-105.587.1173.4-175.90000108.1Y22 V114 Q117 M118 K121V12-Y22 WeakPolarHBondContact O-CB 3.47Å; V12-V114 HydrophobicContact CG1-CG1 4.07Å; V12-Q117 HydrophobicContact CG1-CB 3.7Å; V12-Q117 HydrophobicContact CG2-CB 4.13Å; V12-M118 HydrophobicContact CB-CG 4.08Å; V12-M118 HydrophobicContact CG1-CG 3.89Å; V12-M118 WeakPolarHBondContact O-CE 3.34Å; V12-K121 HydrophobicContact CG2-CD 4.21Å
13P90.1Very high78.3Confident45 Ų4555.4 Ų55.429%0.29230%0.296SS..PPolyproline II helixtrans-78.7127.7-178.431.1-34.6000111.4V11V11-P13 VanDerWaalsContact C-CD 3.44Å; V11-P13 WeakPolarHBondContact O-CD 3.37Å
14C92.2Very high80.2Confident7 Ų750.4 Ų50.45%0.04727%0.265CS..EExtended strand (participates in β ladder)trans-80.5118.5161-177.60000109.1S20 W21 A110 V114 M118C14-S20 CarbonylContact O-C 3.57Å; C14-S20 WeakPolarHBondContact O-CA 3.48Å; C14-S20 VanDerWaalsContact O-CB 3.25Å; C14-S20 WeakPolarHBondContact O-CB 3.42Å; C14-W21 HydrophobicContact CB-CD2 4.12Å; C14-W21 HydrophobicContact CB-CG 4.32Å; C14-W21 HydrophobicContact CB-CZ2 3.93Å; C14-W21 PolarHBondContact N-O 3.44Å; C14-W21 PolarHBondContact O-N 3.33Å; C14-W21 PolarHBondContact SG-NE1 2.84Å; C14-A110 HydrophobicContact CB-CB 4.36Å; C14-V114 HydrophobicContact CB-CG1 4.2Å; C14-M118 HydrophobicContact CB-CE 3.8Å
15K92.2Very high81.8Confident153 Ų15345.5 Ų45.567%0.66524%0.243SC*.EExtended strand (participates in β ladder)trans-75.5138.7179.4-66.8-70.8172.1-166.40111.3
16T92.1Very high83.3Confident18 Ų1846.3 Ų46.311%0.1125%0.247CC..EExtended strand (participates in β ladder)trans-129.7164.2176.166.70000109.6W18 G19 Y108T16-W18 HydrophobicContact CG2-CH2 4.09Å; T16-W18 HydrophobicContact CG2-CZ2 3.95Å; T16-W18 PolarHBondContact O-N 2.86Å; T16-W18 VanDerWaalsContact O-N 3.1Å; T16-W18 WeakPolarHBondContact OG1-CZ3 3.32Å; T16-G19 PolarHBondContact N-O 3.06Å; T16-G19 PolarHBondContact O-N 3.07Å; T16-G19 VanDerWaalsContact O-O 3.06Å; T16-G19 VanDerWaalsContact OG1-C 3.29Å; T16-G19 PolarHBondContact OG1-N 3.3Å; T16-G19 PolarHBondContact OG1-O 3.15Å; T16-Y108 HydrophobicContact CG2-CD1 3.55Å; T16-Y108 HydrophobicContact CG2-CE1 4.39Å; T16-Y108 HydrophobicContact CG2-CG 4.11Å
17P90.9Very high84.8Confident130 Ų13047.4 Ų47.484%0.84425%0.252SS*.THydrogen-bonded Turntrans-59.3-22.9-179.9-26.235.6000114.8
18W91.9Very high86.6Confident28 Ų2838.9 Ų38.911%0.10621%0.212CC..THydrogen-bonded Turntrans-107.7-5.6-178.144.6-106.1000113.3T16 I30 V32 H33 I61 F62 L103 Y108T16-W18 HydrophobicContact CG2-CH2 4.09Å; T16-W18 HydrophobicContact CG2-CZ2 3.95Å; T16-W18 PolarHBondContact O-N 2.86Å; T16-W18 VanDerWaalsContact O-N 3.1Å; T16-W18 WeakPolarHBondContact OG1-CZ3 3.32Å; W18-I30 HydrophobicContact CH2-CG2 3.34Å; W18-I30 HydrophobicContact CZ3-CG2 3.36Å; W18-V32 HydrophobicContact CB-CG1 4.29Å; W18-V32 HydrophobicContact CD2-CG2 4.27Å; W18-V32 HydrophobicContact CE3-CB 4.08Å; W18-V32 HydrophobicContact CE3-CG1 4.25Å; W18-V32 HydrophobicContact CE3-CG2 3.39Å; W18-V32 HydrophobicContact CZ3-CG2 3.54Å; W18-V32 WeakPolarHBondContact O-CA 3.39Å; W18-H33 PolarHBondContact O-N 2.82Å; W18-I61 HydrophobicContact CB-CG2 3.49Å; W18-I61 VanDerWaalsContact CB-CG2 3.49Å; W18-I61 HydrophobicContact CD2-CG2 4.08Å; W18-I61 HydrophobicContact CG-CG2 3.45Å; W18-I61 VanDerWaalsContact CG-CG2 3.45Å; W18-F62 HydrophobicContact CD2-CD1 4.04Å; W18-F62 HydrophobicContact CD2-CE1 4.43Å; W18-F62 AromaticContact CE2-CD1 3.54Å; W18-F62 HydrophobicContact CE3-CE1 4.47Å; W18-F62 HydrophobicContact CH2-CD1 4.16Å; W18-F62 HydrophobicContact CH2-CE1 4.04Å; W18-F62 AromaticContact CZ2-CD1 3.62Å; W18-F62 HydrophobicContact CZ2-CD1 3.62Å; W18-F62 AromaticContact CZ2-CE1 3.99Å; W18-F62 HydrophobicContact CZ2-CE1 3.99Å; W18-F62 HydrophobicContact CZ2-CG 4.22Å; W18-F62 HydrophobicContact CZ3-CE1 4.29Å; W18-F62 AromaticContact NE1-CD1 3.82Å; W18-L103 HydrophobicContact CH2-CD2 3.7Å; W18-L103 HydrophobicContact CZ2-CD2 3.91Å; W18-Y108 AromaticContact CE2-CE1 3.78Å; W18-Y108 HydrophobicContact CZ2-CD1 4.08Å; W18-Y108 HydrophobicContact CZ2-CD2 4.49Å; W18-Y108 AromaticContact CZ2-CE1 3.98Å; W18-Y108 HydrophobicContact CZ2-CE1 3.98Å; W18-Y108 HydrophobicContact CZ2-CE2 4.4Å; W18-Y108 HydrophobicContact CZ2-CG 4.33Å; W18-Y108 AromaticContact NE1-CE1 3.11Å; W18-Y108 AromaticContact NE1-CZ 3.24Å; W18-Y108 PolarHBondContact NE1-OH 2.93Å; W18-Y108 VanDerWaalsContact NE1-OH 3.14Å
19G93.1Very high88.3Confident9 Ų932.3 Ų32.39%0.09319%0.188CC..EExtended strand (participates in β ladder)trans160-118.8175.400000113T16 E31T16-G19 PolarHBondContact N-O 3.06Å; T16-G19 PolarHBondContact O-N 3.07Å; T16-G19 VanDerWaalsContact O-O 3.06Å; T16-G19 VanDerWaalsContact OG1-C 3.29Å; T16-G19 PolarHBondContact OG1-N 3.3Å; T16-G19 PolarHBondContact OG1-O 3.15Å; G19-E31 WeakPolarHBondContact CA-O 3.45Å
20S94.6Very high89.8Confident3 Ų330.2 Ų30.22%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-153.8162.2176.826.30000112C14 E31C14-S20 CarbonylContact O-C 3.57Å; C14-S20 WeakPolarHBondContact O-CA 3.48Å; C14-S20 VanDerWaalsContact O-CB 3.25Å; C14-S20 WeakPolarHBondContact O-CB 3.42Å; S20-E31 PolarHBondContact N-O 2.84Å; S20-E31 PolarHBondContact O-N 2.86Å; S20-E31 VanDerWaalsContact O-O 3.09Å
21W94.3Very high90.9Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-133.1151.9165.368.4-86.5000109.7C14 Q23 V28 F29 I30 W100 L103 Y108 A110 M118C14-W21 HydrophobicContact CB-CD2 4.12Å; C14-W21 HydrophobicContact CB-CG 4.32Å; C14-W21 HydrophobicContact CB-CZ2 3.93Å; C14-W21 PolarHBondContact N-O 3.44Å; C14-W21 PolarHBondContact O-N 3.33Å; C14-W21 PolarHBondContact SG-NE1 2.84Å; W21-Q23 HydrophobicContact CZ3-CG 4.49Å; W21-V28 HydrophobicContact CE3-CG1 4.24Å; W21-F29 CarbonylContact C-O 3.47Å; W21-F29 WeakPolarHBondContact CA-O 3.46Å; W21-F29 WeakPolarHBondContact CB-O 3.3Å; W21-I30 HydrophobicContact CB-CB 4.48Å; W21-I30 HydrophobicContact CB-CG1 4.23Å; W21-I30 HydrophobicContact CB-CG2 4.39Å; W21-W100 HydrophobicContact CH2-CB 4.28Å; W21-W100 WeakPolarHBondContact CH2-O 3.38Å; W21-W100 HydrophobicContact CZ3-CB 4.21Å; W21-L103 HydrophobicContact CB-CD1 4.37Å; W21-L103 HydrophobicContact CB-CD2 4.23Å; W21-L103 HydrophobicContact CD2-CB 3.98Å; W21-L103 HydrophobicContact CD2-CD1 4.31Å; W21-L103 HydrophobicContact CE3-CD1 4.45Å; W21-L103 HydrophobicContact CG-CB 4.06Å; W21-L103 HydrophobicContact CG-CD1 4.28Å; W21-L103 HydrophobicContact CG-CD2 4.14Å; W21-L103 HydrophobicContact CG-CG 4.4Å; W21-L103 HydrophobicContact CZ2-CB 4.43Å; W21-Y108 WeakPolarHBondContact CZ2-O 3.48Å; W21-Y108 PolarHBondContact NE1-O 2.74Å; W21-A110 HydrophobicContact CZ2-CB 4.32Å; W21-M118 HydrophobicContact CE3-CE 4.41Å; W21-M118 HydrophobicContact CH2-CE 4.09Å; W21-M118 HydrophobicContact CH2-SD 4.12Å; W21-M118 HydrophobicContact CZ2-CE 4.48Å; W21-M118 HydrophobicContact CZ3-CE 4.06Å; W21-M118 HydrophobicContact CZ3-SD 4.29Å
22Y92.4Very high91.5Very high9 Ų927.6 Ų27.64%0.03515%0.147CC..EExtended strand (participates in β ladder)trans-144.1173.2173.455-85.3000108.9E6 V11 V12 F29 E31 R86E6-Y22 WeakPolarHBondContact OE1-CE2 3.48Å; V11-Y22 HydrophobicContact CB-CD2 4.07Å; V11-Y22 HydrophobicContact CB-CE2 4.38Å; V11-Y22 HydrophobicContact CB-CG 4.2Å; V11-Y22 HydrophobicContact CG1-CD2 3.82Å; V11-Y22 HydrophobicContact CG1-CE2 3.75Å; V11-Y22 HydrophobicContact CG1-CG 4.44Å; V12-Y22 WeakPolarHBondContact O-CB 3.47Å; Y22-F29 HydrophobicContact CD1-CB 4.05Å; Y22-F29 HydrophobicContact CD2-CB 3.7Å; Y22-F29 AromaticContact CD2-CD2 3.67Å; Y22-F29 HydrophobicContact CD2-CD2 3.67Å; Y22-F29 AromaticContact CD2-CG 3.97Å; Y22-F29 HydrophobicContact CD2-CG 3.97Å; Y22-F29 HydrophobicContact CE1-CB 3.68Å; Y22-F29 HydrophobicContact CE2-CB 3.3Å; Y22-F29 HydrophobicContact CE2-CD1 4.2Å; Y22-F29 AromaticContact CE2-CD2 3.31Å; Y22-F29 HydrophobicContact CE2-CD2 3.31Å; Y22-F29 HydrophobicContact CE2-CE2 4.17Å; Y22-F29 AromaticContact CE2-CG 3.33Å; Y22-F29 HydrophobicContact CE2-CG 3.33Å; Y22-F29 HydrophobicContact CG-CB 4.05Å; Y22-F29 AromaticContact CZ-CG 3.66Å; Y22-F29 PolarHBondContact N-O 2.88Å; Y22-F29 PolarHBondContact O-N 3.07Å; Y22-F29 VanDerWaalsContact O-O 3.09Å; Y22-E31 HydrophobicContact CE1-CG 4.15Å; Y22-E31 WeakPolarHBondContact CE1-OE2 3.31Å; Y22-R86 PolarHBondContact OH-NH2 3.49Å; Y22-R86 VanDerWaalsContact OH-NH2 3.07Å
23Q89.6Confident91.8Very high8 Ų832 Ų324%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-145.1155.3-17765.7-174.9-49.700111.3W21 E27 V28 C99 W100 M118 L122W21-Q23 HydrophobicContact CZ3-CG 4.49Å; Q23-E27 CarbonylContact C-O 3.52Å; Q23-E27 WeakPolarHBondContact CA-O 3.41Å; Q23-V28 HydrophobicContact CB-CG2 4.19Å; Q23-C99 PolarHBondContact NE2-SG 3.44Å; Q23-W100 PolarHBondContact NE2-O 2.85Å; Q23-M118 HydrophobicContact CG-SD 4.39Å; Q23-M118 PolarHBondContact NE2-SD 2.76Å; Q23-L122 HydrophobicContact CG-CD1 4.46Å
24T87.8Confident91.9Very high1 Ų130.5 Ų30.51%0.00616%0.155CC..  trans-116.2-176.2164.762.20000108.7E6 E26 E27 F29 K91 L122E6-T24 HydrophobicContact CG-CG2 3.88Å; E6-T24 WeakPolarHBondContact OE2-CG2 3.31Å; T24-E26 PolarHBondContact O-N 3.3Å; T24-E26 PolarHBondContact OG1-N 2.85Å; T24-E27 PolarHBondContact N-O 2.79Å; T24-E27 PolarHBondContact OG1-N 3.18Å; T24-E27 PolarHBondContact OG1-O 2.93Å; T24-F29 HydrophobicContact CG2-CE2 3.92Å; T24-K91 WeakPolarHBondContact O-CE 3.48Å; T24-K91 PolarHBondContact O-NZ 2.87Å; T24-L122 VanDerWaalsContact O-CD2 3.28Å; T24-L122 WeakPolarHBondContact O-CD2 3.5Å
25M84.4Confident91.8Very high11 Ų1133.8 Ų33.85%0.05418%0.177CC..SBendtrans-63.3-34.3176.4-69.117964.800111.2R94 A96 L122 E125 R126M25-R94 WeakPolarHBondContact CE-O 3.48Å; M25-R94 VanDerWaalsContact O-CA 3.31Å; M25-R94 WeakPolarHBondContact O-CA 3.49Å; M25-A96 HydrophobicContact CE-CB 3.98Å; M25-A96 HydrophobicContact SD-CB 4.4Å; M25-L122 HydrophobicContact CB-CD2 4.33Å; M25-L122 HydrophobicContact CG-CB 4.39Å; M25-L122 HydrophobicContact CG-CD2 3.82Å; M25-E125 WeakPolarHBondContact CB-OE1 3.12Å; M25-E125 HydrophobicContact CG-CB 4.26Å; M25-E125 HydrophobicContact CG-CG 4.27Å; M25-E125 WeakPolarHBondContact CG-OE1 3.18Å; M25-E125 PolarHBondContact N-OE1 3.35Å; M25-E125 HydrophobicContact SD-CB 4Å; M25-E125 HydrophobicContact SD-CG 4.02Å; M25-R126 HydrophobicContact CE-CB 3.8Å; M25-R126 HydrophobicContact CE-CG 3.97Å; M25-R126 WeakPolarHBondContact SD-CA 3.38Å; M25-R126 HydrophobicContact SD-CB 3.58Å; M25-R126 VanDerWaalsContact SD-CB 3.58Å; M25-R126 HydrophobicContact SD-CG 4.38Å; M25-R126 PolarHBondContact SD-N 2.93Å
26E87.1Confident91.7Very high31 Ų3130.3 Ų30.315%0.14518%0.176CC..SBendtrans-101.4-28-172.7-53.9-164.375.500112.8T24 K91 R94 R129T24-E26 PolarHBondContact O-N 3.3Å; T24-E26 PolarHBondContact OG1-N 2.85Å; E26-K91 WeakPolarHBondContact O-CB 3.47Å; E26-K91 PolarHBondContact O-N 2.88Å; E26-R94 HydrophobicContact CB-CG 4.47Å; E26-R94 HydrophobicContact CG-CB 4.3Å; E26-R94 HydrophobicContact CG-CG 4.37Å; E26-R94 WeakPolarHBondContact OE1-CD 3.42Å; E26-R94 IonicContact OE1-CZ 2.96Å; E26-R94 IonicContact OE1-NE 3.38Å; E26-R94 IonicContact OE1-NH1 3.31Å; E26-R94 PolarHBondContact OE1-NH1 3.32Å; E26-R129 IonicContact OE1-NH1 3.16Å; E26-R129 IonicContact OE2-NH1 2.72Å; E26-R129 PolarHBondContact OE2-NH1 3.4Å; E26-R129 VanDerWaalsContact OE2-NH1 3.16Å
27E91Very high91.5Very high43 Ų4331.5 Ų31.520%0.20119%0.192CC..EExtended strand (participates in β ladder)trans-133.6151.4-165.7-63.8165.8103.500112.1S2 Q23 T24 F29 V88 L89S2-E27 PolarHBondContact OG-OE2 3.41Å; Q23-E27 CarbonylContact C-O 3.52Å; Q23-E27 WeakPolarHBondContact CA-O 3.41Å; T24-E27 PolarHBondContact N-O 2.79Å; T24-E27 PolarHBondContact OG1-N 3.18Å; T24-E27 PolarHBondContact OG1-O 2.93Å; E27-F29 HydrophobicContact CB-CD2 4.35Å; E27-F29 HydrophobicContact CB-CE2 3.63Å; E27-F29 HydrophobicContact CB-CZ 3.82Å; E27-F29 HydrophobicContact CG-CZ 4.48Å; E27-V88 HydrophobicContact CB-CG1 4.34Å; E27-V88 HydrophobicContact CG-CG1 4.39Å; E27-L89 CarbonylContact C-O 3.56Å; E27-L89 VanDerWaalsContact CA-O 3.3Å; E27-L89 WeakPolarHBondContact CA-O 3.16Å
28V92.9Very high91.5Very high0 Ų025.3 Ų25.30%015%0.152CC..EExtended strand (participates in β ladder)trans-116126167.9-178.70000107.7W21 Q23 I30 V88 L89 K91 W100 L103W21-V28 HydrophobicContact CE3-CG1 4.24Å; Q23-V28 HydrophobicContact CB-CG2 4.19Å; V28-I30 HydrophobicContact CG1-CG1 4.33Å; V28-V88 WeakPolarHBondContact O-CA 3.28Å; V28-L89 HydrophobicContact CB-CB 4.31Å; V28-L89 PolarHBondContact N-O 3.41Å; V28-L89 PolarHBondContact O-N 3.3Å; V28-K91 HydrophobicContact CG2-CD 4.25Å; V28-K91 HydrophobicContact CG2-CG 3.96Å; V28-W100 HydrophobicContact CG1-CE3 4.41Å; V28-W100 HydrophobicContact CG1-CZ3 4.47Å; V28-W100 HydrophobicContact CG2-CD2 3.88Å; V28-W100 HydrophobicContact CG2-CE3 3.93Å; V28-W100 HydrophobicContact CG2-CG 4.48Å; V28-W100 HydrophobicContact CG2-CH2 4.22Å; V28-W100 HydrophobicContact CG2-CZ2 4.18Å; V28-W100 HydrophobicContact CG2-CZ3 4.11Å; V28-L103 HydrophobicContact CG1-CD1 3.89Å
29F93.6Very high91.4Very high11 Ų1126.6 Ų26.65%0.04817%0.165CC..EExtended strand (participates in β ladder)trans-107.4131.9179.8-62.8-88.6000109.5W21 Y22 T24 E27 I87 V88W21-F29 CarbonylContact C-O 3.47Å; W21-F29 WeakPolarHBondContact CA-O 3.46Å; W21-F29 WeakPolarHBondContact CB-O 3.3Å; Y22-F29 HydrophobicContact CD1-CB 4.05Å; Y22-F29 HydrophobicContact CD2-CB 3.7Å; Y22-F29 AromaticContact CD2-CD2 3.67Å; Y22-F29 HydrophobicContact CD2-CD2 3.67Å; Y22-F29 AromaticContact CD2-CG 3.97Å; Y22-F29 HydrophobicContact CD2-CG 3.97Å; Y22-F29 HydrophobicContact CE1-CB 3.68Å; Y22-F29 HydrophobicContact CE2-CB 3.3Å; Y22-F29 HydrophobicContact CE2-CD1 4.2Å; Y22-F29 AromaticContact CE2-CD2 3.31Å; Y22-F29 HydrophobicContact CE2-CD2 3.31Å; Y22-F29 HydrophobicContact CE2-CE2 4.17Å; Y22-F29 AromaticContact CE2-CG 3.33Å; Y22-F29 HydrophobicContact CE2-CG 3.33Å; Y22-F29 HydrophobicContact CG-CB 4.05Å; Y22-F29 AromaticContact CZ-CG 3.66Å; Y22-F29 PolarHBondContact N-O 2.88Å; Y22-F29 PolarHBondContact O-N 3.07Å; Y22-F29 VanDerWaalsContact O-O 3.09Å; T24-F29 HydrophobicContact CG2-CE2 3.92Å; E27-F29 HydrophobicContact CB-CD2 4.35Å; E27-F29 HydrophobicContact CB-CE2 3.63Å; E27-F29 HydrophobicContact CB-CZ 3.82Å; E27-F29 HydrophobicContact CG-CZ 4.48Å; F29-I87 CarbonylContact C-O 3.6Å; F29-I87 WeakPolarHBondContact CA-O 3.44Å; F29-V88 HydrophobicContact CD1-CB 4.44Å; F29-V88 HydrophobicContact CD1-CG1 4.11Å; F29-V88 HydrophobicContact CD1-CG2 3.8Å; F29-V88 HydrophobicContact CE1-CB 4.4Å; F29-V88 HydrophobicContact CE1-CG1 3.72Å; F29-V88 HydrophobicContact CE1-CG2 3.85Å; F29-V88 HydrophobicContact CZ-CG1 4.26Å
30I95Very high91.2Very high0 Ų028.6 Ų28.60%018%0.181CC..EExtended strand (participates in β ladder)trans-127123.9-179.9-48.3162.3000108W18 W21 V28 V32 I52 F62 R86 I87 L89 L103W18-I30 HydrophobicContact CH2-CG2 3.34Å; W18-I30 HydrophobicContact CZ3-CG2 3.36Å; W21-I30 HydrophobicContact CB-CB 4.48Å; W21-I30 HydrophobicContact CB-CG1 4.23Å; W21-I30 HydrophobicContact CB-CG2 4.39Å; V28-I30 HydrophobicContact CG1-CG1 4.33Å; I30-V32 HydrophobicContact CG2-CG2 4.11Å; I30-I52 HydrophobicContact CD1-CD1 3.66Å; I30-F62 HydrophobicContact CG2-CE1 4.35Å; I30-F62 HydrophobicContact CG2-CZ 4.31Å; I30-R86 CarbonylContact O-C 3.28Å; I30-R86 WeakPolarHBondContact O-CA 3.31Å; I30-I87 HydrophobicContact CB-CB 4.09Å; I30-I87 HydrophobicContact CD1-CB 4.27Å; I30-I87 HydrophobicContact CD1-CG2 4.26Å; I30-I87 PolarHBondContact N-O 3.32Å; I30-I87 PolarHBondContact O-N 3Å; I30-L89 HydrophobicContact CD1-CD1 3.9Å; I30-L89 HydrophobicContact CD1-CG 4.32Å; I30-L103 HydrophobicContact CD1-CD1 3.75Å; I30-L103 HydrophobicContact CD1-CD2 4.13Å; I30-L103 HydrophobicContact CD1-CG 4.47Å; I30-L103 HydrophobicContact CG1-CD1 3.82Å; I30-L103 HydrophobicContact CG1-CD2 4.19Å; I30-L103 HydrophobicContact CG2-CD2 4.21Å
31E94.8Very high91Very high42 Ų4237.8 Ų37.820%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-116.1119.2-178.2-68.2-179.7132.700109.2G19 S20 Y22 L84 I85G19-E31 WeakPolarHBondContact CA-O 3.45Å; S20-E31 PolarHBondContact N-O 2.84Å; S20-E31 PolarHBondContact O-N 2.86Å; S20-E31 VanDerWaalsContact O-O 3.09Å; Y22-E31 HydrophobicContact CE1-CG 4.15Å; Y22-E31 WeakPolarHBondContact CE1-OE2 3.31Å; E31-L84 HydrophobicContact CB-CD1 4.22Å; E31-I85 WeakPolarHBondContact CA-O 3.36Å
32V94.9Very high90.9Very high0 Ų041.2 Ų41.20%024%0.236CC..EExtended strand (participates in β ladder)trans-121.7116.9-175.1-1800000108.6W18 I30 V34 L54 I61 F62 I85W18-V32 HydrophobicContact CB-CG1 4.29Å; W18-V32 HydrophobicContact CD2-CG2 4.27Å; W18-V32 HydrophobicContact CE3-CB 4.08Å; W18-V32 HydrophobicContact CE3-CG1 4.25Å; W18-V32 HydrophobicContact CE3-CG2 3.39Å; W18-V32 HydrophobicContact CZ3-CG2 3.54Å; W18-V32 WeakPolarHBondContact O-CA 3.39Å; I30-V32 HydrophobicContact CG2-CG2 4.11Å; V32-V34 HydrophobicContact CG1-CG1 4.14Å; V32-V34 PolarHBondContact O-N 2.78Å; V32-L54 HydrophobicContact CB-CD2 4.03Å; V32-L54 HydrophobicContact CG1-CD2 3.88Å; V32-L54 HydrophobicContact CG2-CD2 3.56Å; V32-I61 HydrophobicContact CG1-CG2 3.91Å; V32-F62 HydrophobicContact CG2-CE1 3.78Å; V32-I85 HydrophobicContact CB-CB 4.21Å; V32-I85 PolarHBondContact N-O 2.84Å; V32-I85 PolarHBondContact O-N 3.43Å
33H93.5Very high90.9Very high124 Ų12441.3 Ų41.357%0.57424%0.238SC*.EExtended strand (participates in β ladder)trans-76.3123.8174.1-66.9-87.9000109.6W18W18-H33 PolarHBondContact O-N 2.82Å
34V92.3Very high91.1Very high13 Ų1347.1 Ų47.18%0.07926%0.263CS..  trans-117155.4177.9-64.10000110.7V32 A36 T38 V56 L79 C83 I85V32-V34 HydrophobicContact CG1-CG1 4.14Å; V32-V34 PolarHBondContact O-N 2.78Å; V34-A36 PolarHBondContact O-N 3.38Å; V34-T38 HydrophobicContact CB-CG2 4.43Å; V34-T38 HydrophobicContact CG2-CG2 4.14Å; V34-V56 HydrophobicContact CB-CG1 4.33Å; V34-V56 HydrophobicContact CG1-CB 4.43Å; V34-V56 HydrophobicContact CG1-CG1 3.98Å; V34-V56 HydrophobicContact CG1-CG2 3.91Å; V34-L79 HydrophobicContact CG2-CD1 3.97Å; V34-C83 VanDerWaalsContact CG2-C 3.43Å; V34-C83 WeakPolarHBondContact CG2-O 3.34Å; V34-C83 PolarHBondContact N-O 2.85Å; V34-C83 VanDerWaalsContact O-O 3.12Å; V34-I85 HydrophobicContact CG1-CD1 3.58Å; V34-I85 HydrophobicContact CG1-CG1 3.95Å; V34-I85 HydrophobicContact CG2-CG1 4.22Å
35P90Very high91.4Very high76 Ų7648.1 Ų48.149%0.49427%0.27SS..  trans-55140.1177.6-24.734.3000111.6G37 T38P35-G37 PolarHBondContact O-N 2.85Å; P35-T38 WeakPolarHBondContact O-CB 3.4Å; P35-T38 PolarHBondContact O-N 2.83Å; P35-T38 VanDerWaalsContact O-N 3.13Å; P35-T38 PolarHBondContact O-OG1 2.93Å
36A89.1Confident91.9Very high80 Ų8056.1 Ų56.166%0.66130%0.3SS*.THydrogen-bonded Turntrans-57.7138.1-179.400000112.1V34 C83V34-A36 PolarHBondContact O-N 3.38Å; A36-C83 WeakPolarHBondContact CA-SG 3.5Å; A36-C83 VanDerWaalsContact CB-SG 3.55Å
37G88.2Confident92.2Very high43 Ų4356.3 Ų56.344%0.44330%0.301SS..THydrogen-bonded Turntrans79.516.1-175.600000114P35 S39 R57 K82P35-G37 PolarHBondContact O-N 2.85Å; G37-S39 PolarHBondContact O-N 2.89Å; G37-R57 PolarHBondContact O-NH2 2.8Å; G37-K82 PolarHBondContact N-O 2.76Å; G37-K82 VanDerWaalsContact N-O 3.1Å
38T90.5Very high92.2Very high0 Ų055.3 Ų55.30%030%0.303CS..  trans-60.1131167.8-65.60000109V34 P35 V43 V56 L79 K82V34-T38 HydrophobicContact CB-CG2 4.43Å; V34-T38 HydrophobicContact CG2-CG2 4.14Å; P35-T38 WeakPolarHBondContact O-CB 3.4Å; P35-T38 PolarHBondContact O-N 2.83Å; P35-T38 VanDerWaalsContact O-N 3.13Å; P35-T38 PolarHBondContact O-OG1 2.93Å; T38-V43 HydrophobicContact CG2-CG2 3.9Å; T38-V56 HydrophobicContact CG2-CG1 3.72Å; T38-L79 WeakPolarHBondContact O-CD2 3.16Å; T38-K82 PolarHBondContact N-O 3.42Å; T38-K82 VanDerWaalsContact N-O 3.12Å; T38-K82 VanDerWaalsContact O-CB 3.31Å; T38-K82 WeakPolarHBondContact O-CB 3.16Å
39S90.9Very high92.2Very high54 Ų5458 Ų5838%0.37832%0.322SS..  trans-96.6147.9175.5-173.70000110.7G37 K41 E42G37-S39 PolarHBondContact O-N 2.89Å; S39-K41 PolarHBondContact O-N 3.41Å; S39-E42 PolarHBondContact N-OE2 2.82Å; S39-E42 WeakPolarHBondContact O-CA 3.36Å; S39-E42 WeakPolarHBondContact O-CB 3.31Å; S39-E42 PolarHBondContact O-N 3.21Å
40A88.3Confident92.2Very high52 Ų5262 Ų6243%0.4334%0.337SS..G310 helixtrans-55.9-28.4176.400000112.8E42 V43 W77 L79A40-E42 PolarHBondContact O-N 3.34Å; A40-V43 PolarHBondContact O-N 3.47Å; A40-V43 VanDerWaalsContact O-N 3.15Å; A40-W77 HydrophobicContact CB-CH2 4.3Å; A40-L79 HydrophobicContact CB-CD2 4.24Å
41K90.4Very high92.1Very high196 Ų19666.4 Ų66.485%0.85236%0.36SS*.G310 helixtrans-65.7-24.6175.3-62.4-177.1-179.8-178.30113.6S39 V43S39-K41 PolarHBondContact O-N 3.41Å; K41-V43 VanDerWaalsContact C-N 3.32Å
42E91.6Very high92.1Very high71 Ų7164.6 Ų64.633%0.33235%0.351SS..G310 helixtrans-88.3-7.2178.4-56.9179.1100.800112S39 A40 V56 R57S39-E42 PolarHBondContact N-OE2 2.82Å; S39-E42 WeakPolarHBondContact O-CA 3.36Å; S39-E42 WeakPolarHBondContact O-CB 3.31Å; S39-E42 PolarHBondContact O-N 3.21Å; A40-E42 PolarHBondContact O-N 3.34Å; E42-V56 WeakPolarHBondContact O-CA 3.4Å; E42-R57 HydrophobicContact CB-CG 3.93Å; E42-R57 HydrophobicContact CG-CG 4.37Å; E42-R57 PolarHBondContact O-N 2.78Å; E42-R57 WeakPolarHBondContact OE1-CG 3.38Å; E42-R57 IonicContact OE1-CZ 4Å; E42-R57 IonicContact OE1-NE 3.06Å; E42-R57 PolarHBondContact OE1-NE 2.94Å; E42-R57 IonicContact OE2-CZ 3.92Å; E42-R57 IonicContact OE2-NE 3.3Å; E42-R57 PolarHBondContact OE2-NE 3.19Å; E42-R57 IonicContact OE2-NH2 3.63Å
43V93.6Very high92.1Very high11 Ų1166.2 Ų66.27%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-96.9121.4178.7-177.70000108.7T38 A40 K41 C45 L54 Q55 W77 I85T38-V43 HydrophobicContact CG2-CG2 3.9Å; A40-V43 PolarHBondContact O-N 3.47Å; A40-V43 VanDerWaalsContact O-N 3.15Å; K41-V43 VanDerWaalsContact C-N 3.32Å; V43-C45 HydrophobicContact CG1-CB 4.37Å; V43-L54 HydrophobicContact CG1-CD1 3.91Å; V43-Q55 WeakPolarHBondContact CA-O 3.49Å; V43-W77 HydrophobicContact CB-CH2 4.06Å; V43-W77 HydrophobicContact CB-CZ3 4.13Å; V43-W77 HydrophobicContact CG1-CE3 4.25Å; V43-W77 HydrophobicContact CG1-CH2 4Å; V43-W77 HydrophobicContact CG1-CZ3 3.83Å; V43-I85 HydrophobicContact CB-CD1 4.39Å; V43-I85 HydrophobicContact CG1-CD1 3.73Å; V43-I85 HydrophobicContact CG2-CD1 3.68Å; V43-I85 HydrophobicContact CG2-CG1 4.49Å
44K94.3Very high92.2Very high130 Ų13060.3 Ų60.357%0.56533%0.332SS*.EExtended strand (participates in β ladder)trans-111.2105.7166.5-70.4-175.7-173.11710107.6Q55K44-Q55 HydrophobicContact CB-CB 4.22Å; K44-Q55 PolarHBondContact N-O 3.42Å; K44-Q55 PolarHBondContact O-N 3.09Å
45C94.1Very high92.3Very high23 Ų2362 Ų6216%0.15534%0.339CS..EExtended strand (participates in β ladder)trans-113.8123.5175.5-170.20000108.6V43 L47 E53 L54 W77V43-C45 HydrophobicContact CG1-CB 4.37Å; C45-L47 WeakPolarHBondContact SG-CD2 3.38Å; C45-E53 CarbonylContact C-O 3.57Å; C45-E53 WeakPolarHBondContact CA-O 3.32Å; C45-L54 HydrophobicContact CB-CD1 3.84Å; C45-W77 HydrophobicContact CB-CD2 4.04Å; C45-W77 HydrophobicContact CB-CG 3.91Å
46R93.5Very high92.5Very high179 Ų17958.7 Ų58.768%0.67532%0.317SS*.EExtended strand (participates in β ladder)trans-114.3120.2170.9-58-174.8177.1-158.1-3.6108.4I52 E53R46-I52 WeakPolarHBondContact O-CA 3.34Å; R46-E53 HydrophobicContact CB-CB 4.15Å; R46-E53 VanDerWaalsContact CD-OE1 3.31Å; R46-E53 WeakPolarHBondContact CD-OE1 3.25Å; R46-E53 PolarHBondContact N-O 3.35Å; R46-E53 IonicContact NE-OE1 2.86Å; R46-E53 PolarHBondContact NE-OE1 3.19Å; R46-E53 PolarHBondContact O-N 3.48Å
47L93.6Very high92.5Very high34 Ų3460.6 Ų60.618%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-112.2104.2178.8-51.9-179.5000107.2C45 I52 A75 W77 I87 L89C45-L47 WeakPolarHBondContact SG-CD2 3.38Å; L47-I52 HydrophobicContact CD2-CD1 3.7Å; L47-I52 HydrophobicContact CD2-CG1 3.71Å; L47-A75 HydrophobicContact CB-CB 3.78Å; L47-A75 HydrophobicContact CD1-CB 3.75Å; L47-A75 HydrophobicContact CG-CB 4.38Å; L47-W77 HydrophobicContact CD1-CB 4.42Å; L47-I87 HydrophobicContact CD1-CG2 4.02Å; L47-I87 HydrophobicContact CD2-CG2 3.69Å; L47-L89 HydrophobicContact CD1-CD2 4.33Å; L47-L89 HydrophobicContact CD2-CD2 3.96Å; L47-L89 HydrophobicContact CG-CD2 4.48Å
48G91.9Very high92.5Very high22 Ų2261.4 Ų61.423%0.22732%0.315CS..  trans-100175.1174.100000111.2R50 D51 T70G48-R50 VanDerWaalsContact C-N 3.26Å; G48-R50 PolarHBondContact O-N 2.96Å; G48-D51 VanDerWaalsContact CA-O 3.25Å; G48-D51 WeakPolarHBondContact CA-O 3.34Å; G48-D51 PolarHBondContact N-O 3.36Å; G48-T70 PolarHBondContact O-OG1 2.88Å
49S91.8Very high92.5Very high58 Ų5868.6 Ų68.641%0.40635%0.347SS..SBendtrans-72-21.8179.2-53.80000113.1M69 T70 S72S49-M69 CarbonylContact O-C 3.53Å; S49-M69 VanDerWaalsContact O-CA 3.28Å; S49-M69 WeakPolarHBondContact O-CA 3.49Å; S49-T70 VanDerWaalsContact CA-O 3.24Å; S49-T70 WeakPolarHBondContact CA-O 3.37Å; S49-T70 WeakPolarHBondContact CB-O 3.14Å; S49-T70 PolarHBondContact O-N 3.1Å; S49-T70 PolarHBondContact O-OG1 2.77Å; S49-S72 PolarHBondContact OG-OG 2.93Å
50R93.1Very high92.7Very high95 Ų9571 Ų7136%0.35835%0.352SS..SBendtrans-141.15177.2-164.7164.9173.3-146.9-5.8112.7G48 R65 L66 E105G48-R50 VanDerWaalsContact C-N 3.26Å; G48-R50 PolarHBondContact O-N 2.96Å; R50-R65 CarbonylContact O-C 3.42Å; R50-R65 WeakPolarHBondContact O-CA 3.15Å; R50-L66 PolarHBondContact O-N 3.02Å; R50-E105 IonicContact NH2-OE1 3.04Å; R50-E105 PolarHBondContact NH2-OE1 3.23Å; R50-E105 IonicContact NH2-OE2 2.94Å
51D93.6Very high93Very high91 Ų9170.4 Ų70.449%0.48734%0.341SS..EExtended strand (participates in β ladder)trans-133.3140.2-174.4-60.8-91.7000108.4G48 R65G48-D51 VanDerWaalsContact CA-O 3.25Å; G48-D51 WeakPolarHBondContact CA-O 3.34Å; G48-D51 PolarHBondContact N-O 3.36Å; D51-R65 WeakPolarHBondContact OD1-CG 3.14Å
52I94.9Very high93.1Very high4 Ų461.2 Ų61.22%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-135.8139.6176-166.7173000110.1I30 R46 L47 F62 K63 G64 L66 I87 L89 L104I30-I52 HydrophobicContact CD1-CD1 3.66Å; R46-I52 WeakPolarHBondContact O-CA 3.34Å; L47-I52 HydrophobicContact CD2-CD1 3.7Å; L47-I52 HydrophobicContact CD2-CG1 3.71Å; I52-F62 HydrophobicContact CB-CE2 4.39Å; I52-F62 HydrophobicContact CD1-CE2 3.7Å; I52-F62 HydrophobicContact CD1-CZ 4.12Å; I52-F62 HydrophobicContact CG1-CE2 3.76Å; I52-F62 HydrophobicContact CG2-CD2 4.15Å; I52-F62 HydrophobicContact CG2-CE2 3.86Å; I52-K63 WeakPolarHBondContact O-CA 3.38Å; I52-G64 PolarHBondContact N-O 2.99Å; I52-G64 PolarHBondContact O-N 2.87Å; I52-L66 HydrophobicContact CB-CD2 3.95Å; I52-L66 HydrophobicContact CB-CG 4.27Å; I52-L66 HydrophobicContact CG2-CD2 3.58Å; I52-L66 HydrophobicContact CG2-CG 4.14Å; I52-I87 HydrophobicContact CD1-CD1 4.38Å; I52-I87 HydrophobicContact CD1-CG2 4.37Å; I52-L89 HydrophobicContact CD1-CD1 4.04Å; I52-L89 HydrophobicContact CD1-CD2 4.28Å; I52-L104 HydrophobicContact CG2-CD2 3.4Å
53E95.3Very high93.2Very high34 Ų3463 Ų6316%0.15931%0.308CS..EExtended strand (participates in β ladder)trans-138.3126.9176.5-177.4-177.17900109C45 R46 K63C45-E53 CarbonylContact C-O 3.57Å; C45-E53 WeakPolarHBondContact CA-O 3.32Å; R46-E53 HydrophobicContact CB-CB 4.15Å; R46-E53 VanDerWaalsContact CD-OE1 3.31Å; R46-E53 WeakPolarHBondContact CD-OE1 3.25Å; R46-E53 PolarHBondContact N-O 3.35Å; R46-E53 IonicContact NE-OE1 2.86Å; R46-E53 PolarHBondContact NE-OE1 3.19Å; R46-E53 PolarHBondContact O-N 3.48Å; E53-K63 HydrophobicContact CB-CG 4.23Å; E53-K63 HydrophobicContact CG-CB 4.28Å; E53-K63 HydrophobicContact CG-CD 4.13Å; E53-K63 HydrophobicContact CG-CG 4.09Å; E53-K63 VanDerWaalsContact OE2-CD 3.29Å; E53-K63 WeakPolarHBondContact OE2-CD 3.15Å; E53-K63 WeakPolarHBondContact OE2-CE 3.29Å; E53-K63 IonicContact OE2-NZ 2.96Å; E53-K63 PolarHBondContact OE2-NZ 2.8Å
54L95.1Very high93.2Very high0 Ų063.6 Ų63.60%032%0.316CS..EExtended strand (participates in β ladder)trans-125.7121.4171.2-176.768.2000110.1V32 V43 C45 V56 I61 F62 I85 I87V32-L54 HydrophobicContact CB-CD2 4.03Å; V32-L54 HydrophobicContact CG1-CD2 3.88Å; V32-L54 HydrophobicContact CG2-CD2 3.56Å; V43-L54 HydrophobicContact CG1-CD1 3.91Å; C45-L54 HydrophobicContact CB-CD1 3.84Å; L54-V56 HydrophobicContact CD1-CG2 4.44Å; L54-V56 HydrophobicContact CG-CG2 4.3Å; L54-I61 HydrophobicContact CD2-CB 4.24Å; L54-I61 HydrophobicContact CD2-CG1 4.34Å; L54-I61 HydrophobicContact CD2-CG2 4.44Å; L54-I61 HydrophobicContact CG-CB 4.35Å; L54-I61 HydrophobicContact CG-CG1 4.34Å; L54-I61 PolarHBondContact O-N 2.81Å; L54-F62 HydrophobicContact CB-CD1 4.13Å; L54-F62 HydrophobicContact CB-CD2 4.36Å; L54-F62 HydrophobicContact CB-CE1 3.67Å; L54-F62 HydrophobicContact CB-CE2 3.92Å; L54-F62 HydrophobicContact CB-CG 4.45Å; L54-F62 HydrophobicContact CB-CZ 3.55Å; L54-F62 HydrophobicContact CD2-CD1 4.28Å; L54-F62 HydrophobicContact CD2-CE1 3.49Å; L54-F62 VanDerWaalsContact CD2-CE1 3.49Å; L54-F62 HydrophobicContact CD2-CZ 3.93Å; L54-F62 HydrophobicContact CG-CE1 4.23Å; L54-F62 HydrophobicContact CG-CZ 4.39Å; L54-F62 PolarHBondContact N-O 3.1Å; L54-F62 PolarHBondContact O-N 3.45Å; L54-I85 HydrophobicContact CD1-CD1 4.22Å; L54-I85 HydrophobicContact CD1-CG2 4.46Å; L54-I85 HydrophobicContact CD2-CD1 4.48Å; L54-I87 HydrophobicContact CD1-CD1 4.46Å; L54-I87 HydrophobicContact CD2-CD1 4.21Å
55Q94.8Very high93.3Very high48 Ų4864.1 Ų64.122%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-125.4133.8173.9173.317694.400109.7V43 K44 G58 K59V43-Q55 WeakPolarHBondContact CA-O 3.49Å; K44-Q55 HydrophobicContact CB-CB 4.22Å; K44-Q55 PolarHBondContact N-O 3.42Å; K44-Q55 PolarHBondContact O-N 3.09Å; Q55-G58 PolarHBondContact NE2-O 3.14Å; Q55-K59 CarbonylContact C-O 3.49Å; Q55-K59 VanDerWaalsContact CA-O 3.31Å; Q55-K59 WeakPolarHBondContact CA-O 3.48Å; Q55-K59 WeakPolarHBondContact CG-O 3.19Å
56V93.5Very high93.3Very high7 Ų763 Ų634%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-128.3125.7-179.5-178.30000108.4V34 T38 E42 L54 G58 K59 I61 I85V34-V56 HydrophobicContact CB-CG1 4.33Å; V34-V56 HydrophobicContact CG1-CB 4.43Å; V34-V56 HydrophobicContact CG1-CG1 3.98Å; V34-V56 HydrophobicContact CG1-CG2 3.91Å; T38-V56 HydrophobicContact CG2-CG1 3.72Å; E42-V56 WeakPolarHBondContact O-CA 3.4Å; L54-V56 HydrophobicContact CD1-CG2 4.44Å; L54-V56 HydrophobicContact CG-CG2 4.3Å; V56-G58 PolarHBondContact O-N 3.13Å; V56-K59 PolarHBondContact N-O 3.07Å; V56-K59 WeakPolarHBondContact O-CB 3.3Å; V56-K59 PolarHBondContact O-N 2.92Å; V56-I61 HydrophobicContact CB-CD1 4.24Å; V56-I61 HydrophobicContact CB-CG1 4.16Å; V56-I61 HydrophobicContact CG2-CD1 4.34Å; V56-I61 HydrophobicContact CG2-CG1 3.8Å; V56-I85 HydrophobicContact CG2-CD1 3.61Å
57R89.8Confident93.2Very high121 Ų12157.8 Ų57.846%0.45729%0.289SS..THydrogen-bonded Turntrans53.135.1-177.4-62.9-171167.3162.64.9113.6G37 E42 K59G37-R57 PolarHBondContact O-NH2 2.8Å; E42-R57 HydrophobicContact CB-CG 3.93Å; E42-R57 HydrophobicContact CG-CG 4.37Å; E42-R57 PolarHBondContact O-N 2.78Å; E42-R57 WeakPolarHBondContact OE1-CG 3.38Å; E42-R57 IonicContact OE1-CZ 4Å; E42-R57 IonicContact OE1-NE 3.06Å; E42-R57 PolarHBondContact OE1-NE 2.94Å; E42-R57 IonicContact OE2-CZ 3.92Å; E42-R57 IonicContact OE2-NE 3.3Å; E42-R57 PolarHBondContact OE2-NE 3.19Å; E42-R57 IonicContact OE2-NH2 3.63Å; R57-K59 PolarHBondContact O-N 3.4Å
58G88.3Confident93.1Very high59 Ų5958.3 Ų58.361%0.60829%0.292SS*.THydrogen-bonded Turntrans77.3-2.1-177.200000115.2Q55 V56Q55-G58 PolarHBondContact NE2-O 3.14Å; V56-G58 PolarHBondContact O-N 3.13Å
59K91.3Very high93Very high152 Ų15261.9 Ų61.966%0.66130%0.304SS*.EExtended strand (participates in β ladder)trans-93.9124.3172.9-175.2179.5177.7-176.40110.3Q55 V56 R57 I61Q55-K59 CarbonylContact C-O 3.49Å; Q55-K59 VanDerWaalsContact CA-O 3.31Å; Q55-K59 WeakPolarHBondContact CA-O 3.48Å; Q55-K59 WeakPolarHBondContact CG-O 3.19Å; V56-K59 PolarHBondContact N-O 3.07Å; V56-K59 WeakPolarHBondContact O-CB 3.3Å; V56-K59 PolarHBondContact O-N 2.92Å; R57-K59 PolarHBondContact O-N 3.4Å; K59-I61 PolarHBondContact O-N 2.86Å
60E94.2Very high93Very high104 Ų10459.2 Ų59.249%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-66.2123.5170.6-172176.585.700109.3K63E60-K63 HydrophobicContact CG-CB 4.07Å; E60-K63 WeakPolarHBondContact OE2-CB 3.45Å; E60-K63 WeakPolarHBondContact OE2-CD 3.45Å
61I93.5Very high93Very high39 Ų3956.6 Ų56.620%0.228%0.28CS..EExtended strand (participates in β ladder)trans-88.1-50.9175.4-54.7-56.9000108.9W18 V32 L54 V56 K59W18-I61 HydrophobicContact CB-CG2 3.49Å; W18-I61 VanDerWaalsContact CB-CG2 3.49Å; W18-I61 HydrophobicContact CD2-CG2 4.08Å; W18-I61 HydrophobicContact CG-CG2 3.45Å; W18-I61 VanDerWaalsContact CG-CG2 3.45Å; V32-I61 HydrophobicContact CG1-CG2 3.91Å; L54-I61 HydrophobicContact CD2-CB 4.24Å; L54-I61 HydrophobicContact CD2-CG1 4.34Å; L54-I61 HydrophobicContact CD2-CG2 4.44Å; L54-I61 HydrophobicContact CG-CB 4.35Å; L54-I61 HydrophobicContact CG-CG1 4.34Å; L54-I61 PolarHBondContact O-N 2.81Å; V56-I61 HydrophobicContact CB-CD1 4.24Å; V56-I61 HydrophobicContact CB-CG1 4.16Å; V56-I61 HydrophobicContact CG2-CD1 4.34Å; V56-I61 HydrophobicContact CG2-CG1 3.8Å; K59-I61 PolarHBondContact O-N 2.86Å
62F93.7Very high92.7Very high3 Ų354.6 Ų54.61%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-155.8151.8171.860.4-98.4000109.8W18 I30 V32 I52 L54 I87 Y108W18-F62 HydrophobicContact CD2-CD1 4.04Å; W18-F62 HydrophobicContact CD2-CE1 4.43Å; W18-F62 AromaticContact CE2-CD1 3.54Å; W18-F62 HydrophobicContact CE3-CE1 4.47Å; W18-F62 HydrophobicContact CH2-CD1 4.16Å; W18-F62 HydrophobicContact CH2-CE1 4.04Å; W18-F62 AromaticContact CZ2-CD1 3.62Å; W18-F62 HydrophobicContact CZ2-CD1 3.62Å; W18-F62 AromaticContact CZ2-CE1 3.99Å; W18-F62 HydrophobicContact CZ2-CE1 3.99Å; W18-F62 HydrophobicContact CZ2-CG 4.22Å; W18-F62 HydrophobicContact CZ3-CE1 4.29Å; W18-F62 AromaticContact NE1-CD1 3.82Å; I30-F62 HydrophobicContact CG2-CE1 4.35Å; I30-F62 HydrophobicContact CG2-CZ 4.31Å; V32-F62 HydrophobicContact CG2-CE1 3.78Å; I52-F62 HydrophobicContact CB-CE2 4.39Å; I52-F62 HydrophobicContact CD1-CE2 3.7Å; I52-F62 HydrophobicContact CD1-CZ 4.12Å; I52-F62 HydrophobicContact CG1-CE2 3.76Å; I52-F62 HydrophobicContact CG2-CD2 4.15Å; I52-F62 HydrophobicContact CG2-CE2 3.86Å; L54-F62 HydrophobicContact CB-CD1 4.13Å; L54-F62 HydrophobicContact CB-CD2 4.36Å; L54-F62 HydrophobicContact CB-CE1 3.67Å; L54-F62 HydrophobicContact CB-CE2 3.92Å; L54-F62 HydrophobicContact CB-CG 4.45Å; L54-F62 HydrophobicContact CB-CZ 3.55Å; L54-F62 HydrophobicContact CD2-CD1 4.28Å; L54-F62 HydrophobicContact CD2-CE1 3.49Å; L54-F62 VanDerWaalsContact CD2-CE1 3.49Å; L54-F62 HydrophobicContact CD2-CZ 3.93Å; L54-F62 HydrophobicContact CG-CE1 4.23Å; L54-F62 HydrophobicContact CG-CZ 4.39Å; L54-F62 PolarHBondContact N-O 3.1Å; L54-F62 PolarHBondContact O-N 3.45Å; F62-I87 HydrophobicContact CZ-CD1 3.85Å; F62-Y108 HydrophobicContact CB-CE2 3.97Å; F62-Y108 WeakPolarHBondContact CB-OH 3.25Å
63K94.4Very high92.5Very high110 Ų11061.6 Ų61.648%0.47831%0.31SS..EExtended strand (participates in β ladder)trans-153.9130.6175.2177.2179.3-179.6156.50109.1I52 E53 E60I52-K63 WeakPolarHBondContact O-CA 3.38Å; E53-K63 HydrophobicContact CB-CG 4.23Å; E53-K63 HydrophobicContact CG-CB 4.28Å; E53-K63 HydrophobicContact CG-CD 4.13Å; E53-K63 HydrophobicContact CG-CG 4.09Å; E53-K63 VanDerWaalsContact OE2-CD 3.29Å; E53-K63 WeakPolarHBondContact OE2-CD 3.15Å; E53-K63 WeakPolarHBondContact OE2-CE 3.29Å; E53-K63 IonicContact OE2-NZ 2.96Å; E53-K63 PolarHBondContact OE2-NZ 2.8Å; E60-K63 HydrophobicContact CG-CB 4.07Å; E60-K63 WeakPolarHBondContact OE2-CB 3.45Å; E60-K63 WeakPolarHBondContact OE2-CD 3.45Å
64G93.6Very high92.1Very high22 Ų2264.5 Ų64.523%0.22732%0.324CS..EExtended strand (participates in β ladder)trans172.3-172.6174.500000113.1I52I52-G64 PolarHBondContact N-O 2.99Å; I52-G64 PolarHBondContact O-N 2.87Å
65R94.8Very high92Very high141 Ų14165.3 Ų65.353%0.53233%0.33SS..EExtended strand (participates in β ladder)trans-85.3134.6174.7-83.2-173.8-91.3-157.6-4.8110.6R50 D51 L104 E105R50-R65 CarbonylContact O-C 3.42Å; R50-R65 WeakPolarHBondContact O-CA 3.15Å; D51-R65 WeakPolarHBondContact OD1-CG 3.14Å; R65-L104 CarbonylContact O-C 3.44Å; R65-L104 WeakPolarHBondContact O-CA 3.35Å; R65-L104 WeakPolarHBondContact O-CB 3.31Å; R65-E105 HydrophobicContact CB-CG 4.24Å; R65-E105 WeakPolarHBondContact CB-OE2 3.45Å; R65-E105 WeakPolarHBondContact CD-OE2 3.45Å; R65-E105 IonicContact NE-OE2 2.92Å; R65-E105 PolarHBondContact O-N 2.89Å
66L93.9Very high91.9Very high0 Ų066.7 Ų66.70%034%0.342CS..BIsolated β-bridgetrans-65151.3174.4-66.2169000110.2R50 I52 D68 T70 L89 W100 L104 E105R50-L66 PolarHBondContact O-N 3.02Å; I52-L66 HydrophobicContact CB-CD2 3.95Å; I52-L66 HydrophobicContact CB-CG 4.27Å; I52-L66 HydrophobicContact CG2-CD2 3.58Å; I52-L66 HydrophobicContact CG2-CG 4.14Å; L66-D68 VanDerWaalsContact C-N 3.26Å; L66-D68 WeakPolarHBondContact CB-O 3.48Å; L66-D68 PolarHBondContact O-N 3.15Å; L66-T70 HydrophobicContact CD1-CG2 3.91Å; L66-T70 VanDerWaalsContact CD1-OG1 3.29Å; L66-T70 WeakPolarHBondContact CD1-OG1 3.07Å; L66-L89 HydrophobicContact CD1-CD1 4.09Å; L66-L89 HydrophobicContact CD2-CD1 3.66Å; L66-W100 HydrophobicContact CB-CH2 3.83Å; L66-W100 HydrophobicContact CB-CZ3 4.12Å; L66-W100 HydrophobicContact CD1-CH2 4.35Å; L66-W100 HydrophobicContact CD2-CH2 4.04Å; L66-W100 HydrophobicContact CD2-CZ3 3.9Å; L66-W100 HydrophobicContact CG-CH2 4.3Å; L66-L104 HydrophobicContact CD2-CD2 4.28Å; L66-E105 WeakPolarHBondContact O-CG 3.46Å
67F91.8Very high92Very high69 Ų6970.4 Ų70.430%0.30336%0.356SS..SBendtrans-56.9-40.6177.4176.9-94.5000112.5W100 T101 S102 L103F67-W100 HydrophobicContact CB-CD2 3.97Å; F67-W100 HydrophobicContact CB-CE3 3.83Å; F67-W100 HydrophobicContact CB-CG 4.32Å; F67-W100 HydrophobicContact CB-CZ3 4.3Å; F67-W100 HydrophobicContact CD1-CB 3.98Å; F67-W100 AromaticContact CD1-CD1 3.79Å; F67-W100 HydrophobicContact CD1-CD2 4.11Å; F67-W100 AromaticContact CD1-CG 3.72Å; F67-W100 HydrophobicContact CD1-CG 3.72Å; F67-W100 HydrophobicContact CG-CB 4.38Å; F67-W100 HydrophobicContact CG-CD2 4.47Å; F67-W100 HydrophobicContact CG-CG 4.33Å; F67-T101 WeakPolarHBondContact CE2-OG1 3.41Å; F67-S102 WeakPolarHBondContact CB-O 3.31Å; F67-S102 WeakPolarHBondContact CD2-OG 3.44Å; F67-L103 PolarHBondContact N-O 3.5Å
68D91.1Very high92.2Very high45 Ų4567.9 Ų67.924%0.24135%0.354CS..SBendtrans-141.1173.5176.3-161.72.7000110.8L66 N98 W100L66-D68 VanDerWaalsContact C-N 3.26Å; L66-D68 WeakPolarHBondContact CB-O 3.48Å; L66-D68 PolarHBondContact O-N 3.15Å; D68-N98 PolarHBondContact OD2-ND2 2.81Å; D68-N98 PolarHBondContact OD2-OD1 3.47Å; D68-W100 HydrophobicContact CB-CZ2 3.92Å; D68-W100 WeakPolarHBondContact O-CZ2 3.24Å
69M90.6Very high92.5Very high98 Ų9867.1 Ų67.148%0.48334%0.335SS..  trans-70.6138.2-179.3-62.2-174.2-171.900112.2S49 T92S49-M69 CarbonylContact O-C 3.53Å; S49-M69 VanDerWaalsContact O-CA 3.28Å; S49-M69 WeakPolarHBondContact O-CA 3.49Å; M69-T92 WeakPolarHBondContact O-CB 3.46Å; M69-T92 PolarHBondContact O-N 2.81Å; M69-T92 PolarHBondContact O-OG1 3.24Å
70T92.2Very high92.5Very high2 Ų263.3 Ų63.31%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-119.6154.2173.655.70000110.8G48 S49 L66 S72 L89 M90 W100G48-T70 PolarHBondContact O-OG1 2.88Å; S49-T70 VanDerWaalsContact CA-O 3.24Å; S49-T70 WeakPolarHBondContact CA-O 3.37Å; S49-T70 WeakPolarHBondContact CB-O 3.14Å; S49-T70 PolarHBondContact O-N 3.1Å; S49-T70 PolarHBondContact O-OG1 2.77Å; L66-T70 HydrophobicContact CD1-CG2 3.91Å; L66-T70 VanDerWaalsContact CD1-OG1 3.29Å; L66-T70 WeakPolarHBondContact CD1-OG1 3.07Å; T70-S72 PolarHBondContact O-N 2.95Å; T70-S72 VanDerWaalsContact O-N 3.15Å; T70-L89 HydrophobicContact CG2-CB 3.89Å; T70-L89 HydrophobicContact CG2-CD1 4.34Å; T70-M90 CarbonylContact C-O 3.51Å; T70-M90 WeakPolarHBondContact CA-O 3.09Å; T70-M90 WeakPolarHBondContact CB-O 3.29Å; T70-W100 HydrophobicContact CG2-CH2 3.62Å; T70-W100 HydrophobicContact CG2-CZ2 3.75Å
71V92.2Very high92.3Very high40 Ų4065.5 Ų65.524%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-78.897.4172.7-170.50000107.8D73 E74 A75 M90V71-D73 HydrophobicContact CG1-CB 4.4Å; V71-D73 PolarHBondContact O-N 3.41Å; V71-E74 HydrophobicContact CB-CB 4.29Å; V71-E74 HydrophobicContact CB-CG 4.44Å; V71-E74 HydrophobicContact CG1-CB 4.22Å; V71-E74 HydrophobicContact CG1-CG 3.92Å; V71-E74 WeakPolarHBondContact CG1-OE2 3.36Å; V71-E74 PolarHBondContact O-N 3.29Å; V71-E74 VanDerWaalsContact O-N 3.1Å; V71-A75 PolarHBondContact O-N 2.8Å; V71-M90 HydrophobicContact CB-CB 4.37Å; V71-M90 PolarHBondContact N-O 3.16Å
72S88.5Confident92Very high48 Ų4870 Ų7034%0.33635%0.353SS..EExtended strand (participates in β ladder)trans-60.2-29.1-17743.60000113.8S49 T70 E74 A75S49-S72 PolarHBondContact OG-OG 2.93Å; T70-S72 PolarHBondContact O-N 2.95Å; T70-S72 VanDerWaalsContact O-N 3.15Å; S72-E74 VanDerWaalsContact C-N 3.3Å; S72-E74 PolarHBondContact O-N 2.72Å; S72-A75 WeakPolarHBondContact O-CB 3.47Å; S72-A75 PolarHBondContact O-N 3.15Å
73D89.1Confident91.9Very high152 Ų15272.1 Ų72.181%0.81337%0.368SS*.EExtended strand (participates in β ladder)trans-67.7-30.3177.2-161.6-111000112.6V71V71-D73 HydrophobicContact CG1-CB 4.4Å; V71-D73 PolarHBondContact O-N 3.41Å
74E88.8Confident91.8Very high95 Ų9568.6 Ų68.644%0.44435%0.354SS..EExtended strand (participates in β ladder)trans-96-1.9179.2-61.7-174.592.300112.2V71 S72 M90 R94V71-E74 HydrophobicContact CB-CB 4.29Å; V71-E74 HydrophobicContact CB-CG 4.44Å; V71-E74 HydrophobicContact CG1-CB 4.22Å; V71-E74 HydrophobicContact CG1-CG 3.92Å; V71-E74 WeakPolarHBondContact CG1-OE2 3.36Å; V71-E74 PolarHBondContact O-N 3.29Å; V71-E74 VanDerWaalsContact O-N 3.1Å; S72-E74 VanDerWaalsContact C-N 3.3Å; S72-E74 PolarHBondContact O-N 2.72Å; E74-M90 HydrophobicContact CB-CB 3.93Å; E74-M90 HydrophobicContact CB-SD 3.97Å; E74-M90 HydrophobicContact CG-SD 4.16Å; E74-R94 IonicContact OE2-NH2 3.86Å
75A91.3Very high91.9Very high16 Ų1667.6 Ų67.613%0.13234%0.343CS..EExtended strand (participates in β ladder)trans-76.1126.3178.700000110.5L47 V71 S72 V88 L89L47-A75 HydrophobicContact CB-CB 3.78Å; L47-A75 HydrophobicContact CD1-CB 3.75Å; L47-A75 HydrophobicContact CG-CB 4.38Å; V71-A75 PolarHBondContact O-N 2.8Å; S72-A75 WeakPolarHBondContact O-CB 3.47Å; S72-A75 PolarHBondContact O-N 3.15Å; A75-V88 WeakPolarHBondContact CA-O 3.34Å; A75-L89 HydrophobicContact CB-CD2 3.88Å
76T93.9Very high91.9Very high78 Ų7864.4 Ų64.448%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-129.5153.4-177.856.80000111.2I87 V88T76-I87 CarbonylContact O-C 3.48Å; T76-I87 WeakPolarHBondContact O-CA 3.44Å; T76-V88 PolarHBondContact N-O 2.83Å; T76-V88 PolarHBondContact O-N 2.81Å
77W95.1Very high91.9Very high85 Ų8564.4 Ų64.432%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-135.9147.6170.169.5-87.9000110A40 V43 C45 L47 L79 I85 R86 I87A40-W77 HydrophobicContact CB-CH2 4.3Å; V43-W77 HydrophobicContact CB-CH2 4.06Å; V43-W77 HydrophobicContact CB-CZ3 4.13Å; V43-W77 HydrophobicContact CG1-CE3 4.25Å; V43-W77 HydrophobicContact CG1-CH2 4Å; V43-W77 HydrophobicContact CG1-CZ3 3.83Å; C45-W77 HydrophobicContact CB-CD2 4.04Å; C45-W77 HydrophobicContact CB-CG 3.91Å; L47-W77 HydrophobicContact CD1-CB 4.42Å; W77-L79 HydrophobicContact CZ3-CB 4.31Å; W77-I85 HydrophobicContact CE3-CG2 4.42Å; W77-R86 CarbonylContact C-O 3.58Å; W77-R86 VanDerWaalsContact CA-O 3.28Å; W77-R86 WeakPolarHBondContact CA-O 3.5Å; W77-I87 HydrophobicContact CB-CB 4.36Å; W77-I87 HydrophobicContact CB-CG1 3.84Å; W77-I87 HydrophobicContact CB-CG2 4.44Å
78T94.4Very high92Very high68 Ų6862.3 Ų62.342%0.41732%0.324SS..EExtended strand (participates in β ladder)trans-135153.7-179.757.70000109.5I85 R86T78-I85 CarbonylContact O-C 3.55Å; T78-I85 VanDerWaalsContact O-CA 3.3Å; T78-I85 WeakPolarHBondContact O-CA 3.35Å; T78-R86 PolarHBondContact N-O 2.83Å; T78-R86 PolarHBondContact O-N 3.15Å; T78-R86 PolarHBondContact OG1-O 2.62Å
79L93.9Very high92.2Very high43 Ų4360.1 Ų60.123%0.22531%0.312CS..EExtended strand (participates in β ladder)trans-116.3105174.417568.6000107.9V34 T38 A40 W77 L84 I85V34-L79 HydrophobicContact CG2-CD1 3.97Å; T38-L79 WeakPolarHBondContact O-CD2 3.16Å; A40-L79 HydrophobicContact CB-CD2 4.24Å; W77-L79 HydrophobicContact CZ3-CB 4.31Å; L79-L84 CarbonylContact C-O 3.51Å; L79-L84 WeakPolarHBondContact CA-O 3.28Å; L79-I85 HydrophobicContact CD1-CG1 3.62Å
80E91.6Very high92.2Very high71 Ų7156.9 Ų56.933%0.33230%0.296SS..EExtended strand (participates in β ladder)trans-90.4132-179.7-58.3-173.989.300109.7K82 C83 L84 R86E80-K82 PolarHBondContact O-N 2.65Å; E80-C83 PolarHBondContact O-N 2.72Å; E80-L84 HydrophobicContact CB-CB 4.31Å; E80-L84 PolarHBondContact N-O 3.46Å; E80-L84 PolarHBondContact O-N 3.21Å; E80-R86 WeakPolarHBondContact OE2-CB 3.38Å; E80-R86 VanDerWaalsContact OE2-CD 3.32Å; E80-R86 WeakPolarHBondContact OE2-CD 3.19Å
81D89.6Confident92.2Very high151 Ų15156.8 Ų56.881%0.80730%0.296SS*.THydrogen-bonded Turntrans50.319.6176.5-62.7-66000116.1C83D81-C83 PolarHBondContact O-N 3.16Å; D81-C83 VanDerWaalsContact O-N 3.16Å; D81-C83 PolarHBondContact O-SG 3.06Å
82K87.6Confident92.1Very high134 Ų13458.8 Ų58.858%0.58331%0.308SS*.THydrogen-bonded Turntrans56.922.7-174-55.9177.3-176.8173.60113.8G37 T38 E80G37-K82 PolarHBondContact N-O 2.76Å; G37-K82 VanDerWaalsContact N-O 3.1Å; T38-K82 PolarHBondContact N-O 3.42Å; T38-K82 VanDerWaalsContact N-O 3.12Å; T38-K82 VanDerWaalsContact O-CB 3.31Å; T38-K82 WeakPolarHBondContact O-CB 3.16Å; E80-K82 PolarHBondContact O-N 2.65Å
83C91.4Very high91.9Very high46 Ų4659.2 Ų59.231%0.31131%0.307SS..THydrogen-bonded Turntrans-137.8-15.5-175.1-57.60000113.4V34 A36 E80 D81V34-C83 VanDerWaalsContact CG2-C 3.43Å; V34-C83 WeakPolarHBondContact CG2-O 3.34Å; V34-C83 PolarHBondContact N-O 2.85Å; V34-C83 VanDerWaalsContact O-O 3.12Å; A36-C83 WeakPolarHBondContact CA-SG 3.5Å; A36-C83 VanDerWaalsContact CB-SG 3.55Å; E80-C83 PolarHBondContact O-N 2.72Å; D81-C83 PolarHBondContact O-N 3.16Å; D81-C83 VanDerWaalsContact O-N 3.16Å; D81-C83 PolarHBondContact O-SG 3.06Å
84L92.8Very high91.5Very high37 Ų3756.4 Ų56.419%0.19429%0.285CS..EExtended strand (participates in β ladder)trans-134.2123.9-178.2-177.969.3000109.8E31 L79 E80E31-L84 HydrophobicContact CB-CD1 4.22Å; L79-L84 CarbonylContact C-O 3.51Å; L79-L84 WeakPolarHBondContact CA-O 3.28Å; E80-L84 HydrophobicContact CB-CB 4.31Å; E80-L84 PolarHBondContact N-O 3.46Å; E80-L84 PolarHBondContact O-N 3.21Å
85I94.8Very high91Very high0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-97.2124.1169.1-62.2172.1000107.6E31 V32 V34 V43 L54 V56 W77 T78 L79 I87E31-I85 WeakPolarHBondContact CA-O 3.36Å; V32-I85 HydrophobicContact CB-CB 4.21Å; V32-I85 PolarHBondContact N-O 2.84Å; V32-I85 PolarHBondContact O-N 3.43Å; V34-I85 HydrophobicContact CG1-CD1 3.58Å; V34-I85 HydrophobicContact CG1-CG1 3.95Å; V34-I85 HydrophobicContact CG2-CG1 4.22Å; V43-I85 HydrophobicContact CB-CD1 4.39Å; V43-I85 HydrophobicContact CG1-CD1 3.73Å; V43-I85 HydrophobicContact CG2-CD1 3.68Å; V43-I85 HydrophobicContact CG2-CG1 4.49Å; L54-I85 HydrophobicContact CD1-CD1 4.22Å; L54-I85 HydrophobicContact CD1-CG2 4.46Å; L54-I85 HydrophobicContact CD2-CD1 4.48Å; V56-I85 HydrophobicContact CG2-CD1 3.61Å; W77-I85 HydrophobicContact CE3-CG2 4.42Å; T78-I85 CarbonylContact O-C 3.55Å; T78-I85 VanDerWaalsContact O-CA 3.3Å; T78-I85 WeakPolarHBondContact O-CA 3.35Å; L79-I85 HydrophobicContact CD1-CG1 3.62Å; I85-I87 HydrophobicContact CG2-CD1 4.46Å; I85-I87 HydrophobicContact CG2-CG1 4.01Å
86R94.8Very high89.8Confident74 Ų7457.1 Ų57.128%0.27929%0.286SS..EExtended strand (participates in β ladder)trans-112.8117.4175.7-175173.2-175.9171.22.4109.6Y22 I30 W77 T78 E80Y22-R86 PolarHBondContact OH-NH2 3.49Å; Y22-R86 VanDerWaalsContact OH-NH2 3.07Å; I30-R86 CarbonylContact O-C 3.28Å; I30-R86 WeakPolarHBondContact O-CA 3.31Å; W77-R86 CarbonylContact C-O 3.58Å; W77-R86 VanDerWaalsContact CA-O 3.28Å; W77-R86 WeakPolarHBondContact CA-O 3.5Å; T78-R86 PolarHBondContact N-O 2.83Å; T78-R86 PolarHBondContact O-N 3.15Å; T78-R86 PolarHBondContact OG1-O 2.62Å; E80-R86 WeakPolarHBondContact OE2-CB 3.38Å; E80-R86 VanDerWaalsContact OE2-CD 3.32Å; E80-R86 WeakPolarHBondContact OE2-CD 3.19Å
87I94.9Very high88.8Confident0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-108.1134.3177.4-51.7167000107.8F29 I30 L47 I52 L54 F62 T76 W77 I85 L89F29-I87 CarbonylContact C-O 3.6Å; F29-I87 WeakPolarHBondContact CA-O 3.44Å; I30-I87 HydrophobicContact CB-CB 4.09Å; I30-I87 HydrophobicContact CD1-CB 4.27Å; I30-I87 HydrophobicContact CD1-CG2 4.26Å; I30-I87 PolarHBondContact N-O 3.32Å; I30-I87 PolarHBondContact O-N 3Å; L47-I87 HydrophobicContact CD1-CG2 4.02Å; L47-I87 HydrophobicContact CD2-CG2 3.69Å; I52-I87 HydrophobicContact CD1-CD1 4.38Å; I52-I87 HydrophobicContact CD1-CG2 4.37Å; L54-I87 HydrophobicContact CD1-CD1 4.46Å; L54-I87 HydrophobicContact CD2-CD1 4.21Å; F62-I87 HydrophobicContact CZ-CD1 3.85Å; T76-I87 CarbonylContact O-C 3.48Å; T76-I87 WeakPolarHBondContact O-CA 3.44Å; W77-I87 HydrophobicContact CB-CB 4.36Å; W77-I87 HydrophobicContact CB-CG1 3.84Å; W77-I87 HydrophobicContact CB-CG2 4.44Å; I85-I87 HydrophobicContact CG2-CD1 4.46Å; I85-I87 HydrophobicContact CG2-CG1 4.01Å; I87-L89 HydrophobicContact CG2-CD2 3.75Å; I87-L89 HydrophobicContact CG2-CG 4.2Å
88V94.3Very high88.2Confident25 Ų2552.2 Ų52.215%0.15227%0.273CS..EExtended strand (participates in β ladder)trans-120.3118.6175.7-1710000107.5E27 V28 F29 A75 T76E27-V88 HydrophobicContact CB-CG1 4.34Å; E27-V88 HydrophobicContact CG-CG1 4.39Å; V28-V88 WeakPolarHBondContact O-CA 3.28Å; F29-V88 HydrophobicContact CD1-CB 4.44Å; F29-V88 HydrophobicContact CD1-CG1 4.11Å; F29-V88 HydrophobicContact CD1-CG2 3.8Å; F29-V88 HydrophobicContact CE1-CB 4.4Å; F29-V88 HydrophobicContact CE1-CG1 3.72Å; F29-V88 HydrophobicContact CE1-CG2 3.85Å; F29-V88 HydrophobicContact CZ-CG1 4.26Å; A75-V88 WeakPolarHBondContact CA-O 3.34Å; T76-V88 PolarHBondContact N-O 2.83Å; T76-V88 PolarHBondContact O-N 2.81Å
89L93.4Very high87.7Confident0 Ų049.5 Ų49.50%026%0.257CS..EExtended strand (participates in β ladder)trans-110.7130.3175.8-51177.1000108.9E27 V28 I30 L47 I52 L66 T70 A75 I87E27-L89 CarbonylContact C-O 3.56Å; E27-L89 VanDerWaalsContact CA-O 3.3Å; E27-L89 WeakPolarHBondContact CA-O 3.16Å; V28-L89 HydrophobicContact CB-CB 4.31Å; V28-L89 PolarHBondContact N-O 3.41Å; V28-L89 PolarHBondContact O-N 3.3Å; I30-L89 HydrophobicContact CD1-CD1 3.9Å; I30-L89 HydrophobicContact CD1-CG 4.32Å; L47-L89 HydrophobicContact CD1-CD2 4.33Å; L47-L89 HydrophobicContact CD2-CD2 3.96Å; L47-L89 HydrophobicContact CG-CD2 4.48Å; I52-L89 HydrophobicContact CD1-CD1 4.04Å; I52-L89 HydrophobicContact CD1-CD2 4.28Å; L66-L89 HydrophobicContact CD1-CD1 4.09Å; L66-L89 HydrophobicContact CD2-CD1 3.66Å; T70-L89 HydrophobicContact CG2-CB 3.89Å; T70-L89 HydrophobicContact CG2-CD1 4.34Å; A75-L89 HydrophobicContact CB-CD2 3.88Å; I87-L89 HydrophobicContact CG2-CD2 3.75Å; I87-L89 HydrophobicContact CG2-CG 4.2Å
90M92.3Very high87.5Confident29 Ų2947.4 Ų47.414%0.14325%0.246CC..EExtended strand (participates in β ladder)trans-87.9126174.3-161.6175.5-139.900110.5T70 V71 E74 R94T70-M90 CarbonylContact C-O 3.51Å; T70-M90 WeakPolarHBondContact CA-O 3.09Å; T70-M90 WeakPolarHBondContact CB-O 3.29Å; V71-M90 HydrophobicContact CB-CB 4.37Å; V71-M90 PolarHBondContact N-O 3.16Å; E74-M90 HydrophobicContact CB-CB 3.93Å; E74-M90 HydrophobicContact CB-SD 3.97Å; E74-M90 HydrophobicContact CG-SD 4.16Å; M90-R94 PolarHBondContact SD-NH2 2.98Å
91K91.4Very high87.5Confident0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-71.5137.3177-63.7177.6177.8177.90110.2T24 E26 V28 N93 N98 W100T24-K91 WeakPolarHBondContact O-CE 3.48Å; T24-K91 PolarHBondContact O-NZ 2.87Å; E26-K91 WeakPolarHBondContact O-CB 3.47Å; E26-K91 PolarHBondContact O-N 2.88Å; V28-K91 HydrophobicContact CG2-CD 4.25Å; V28-K91 HydrophobicContact CG2-CG 3.96Å; K91-N93 WeakPolarHBondContact CB-O 3.28Å; K91-N98 PolarHBondContact NZ-O 3.19Å; K91-W100 HydrophobicContact CG-CZ2 4.42Å
92T89.4Confident87.6Confident83 Ų8339.5 Ų39.551%0.50921%0.208SC..SBendtrans-70.6-41171.4-53.90000110.4M69M69-T92 WeakPolarHBondContact O-CB 3.46Å; M69-T92 PolarHBondContact O-N 2.81Å; M69-T92 PolarHBondContact O-OG1 3.24Å
93N84.4Confident87.8Confident56 Ų5633.1 Ų33.130%0.29918%0.18SC..  trans-97.7113.8172.6-173.4-5.4000110.8K91 E95 N98K91-N93 WeakPolarHBondContact CB-O 3.28Å; N93-E95 PolarHBondContact ND2-OE2 2.79Å; N93-E95 WeakPolarHBondContact OD1-CB 3.2Å; N93-E95 WeakPolarHBondContact OD1-CG 3.38Å; N93-E95 PolarHBondContact OD1-N 3.05Å; N93-E95 VanDerWaalsContact OD1-N 3.09Å; N93-E95 PolarHBondContact OD1-OE2 3.28Å; N93-E95 VanDerWaalsContact OD1-OE2 3.04Å; N93-N98 HydrophobicContact CB-CB 4.42Å; N93-N98 PolarHBondContact O-ND2 3.01Å; N93-N98 VanDerWaalsContact O-ND2 3.12Å
94R81.8Confident87.9Confident93 Ų9331 Ų3135%0.35117%0.166SC..  trans-101.622.5-174.9-52.6-174.8-168.8177.97.2113.8M25 E26 E74 M90M25-R94 WeakPolarHBondContact CE-O 3.48Å; M25-R94 VanDerWaalsContact O-CA 3.31Å; M25-R94 WeakPolarHBondContact O-CA 3.49Å; E26-R94 HydrophobicContact CB-CG 4.47Å; E26-R94 HydrophobicContact CG-CB 4.3Å; E26-R94 HydrophobicContact CG-CG 4.37Å; E26-R94 WeakPolarHBondContact OE1-CD 3.42Å; E26-R94 IonicContact OE1-CZ 2.96Å; E26-R94 IonicContact OE1-NE 3.38Å; E26-R94 IonicContact OE1-NH1 3.31Å; E26-R94 PolarHBondContact OE1-NH1 3.32Å; E74-R94 IonicContact OE2-NH2 3.86Å; M90-R94 PolarHBondContact SD-NH2 2.98Å
95E77.3Confident87.8Confident123 Ų12333.6 Ų33.658%0.57518%0.177SC*.  trans-80.8145.8176.7-67.5176.7108.500111.6N93 G97 N98N93-E95 PolarHBondContact ND2-OE2 2.79Å; N93-E95 WeakPolarHBondContact OD1-CB 3.2Å; N93-E95 WeakPolarHBondContact OD1-CG 3.38Å; N93-E95 PolarHBondContact OD1-N 3.05Å; N93-E95 VanDerWaalsContact OD1-N 3.09Å; N93-E95 PolarHBondContact OD1-OE2 3.28Å; N93-E95 VanDerWaalsContact OD1-OE2 3.04Å; E95-G97 PolarHBondContact O-N 2.8Å; E95-N98 WeakPolarHBondContact O-CB 3.15Å; E95-N98 PolarHBondContact O-N 3.41Å
96A67.2Low87.4Confident3 Ų336.8 Ų36.83%0.02521%0.21CC..THydrogen-bonded Turntrans-65.2-20.317600000113M25 N98 Q119 L122 R126M25-A96 HydrophobicContact CE-CB 3.98Å; M25-A96 HydrophobicContact SD-CB 4.4Å; A96-N98 VanDerWaalsContact C-N 3.27Å; A96-Q119 PolarHBondContact O-NE2 3.5Å; A96-L122 HydrophobicContact CB-CB 4.5Å; A96-R126 HydrophobicContact CB-CB 3.94Å; A96-R126 HydrophobicContact CB-CG 4.29Å
97G72.7Confident87.1Confident42 Ų4238.1 Ų38.143%0.43322%0.219SC..THydrogen-bonded Turntrans-70.3-22.2170.500000113.1E95 C99E95-G97 PolarHBondContact O-N 2.8Å; G97-C99 PolarHBondContact O-N 3Å
98N81.5Confident86.9Confident18 Ų1840.4 Ų40.410%0.09623%0.228CC..  trans-84.959177.5-163.928.3000112.2D68 K91 N93 E95 A96 W100D68-N98 PolarHBondContact OD2-ND2 2.81Å; D68-N98 PolarHBondContact OD2-OD1 3.47Å; K91-N98 PolarHBondContact NZ-O 3.19Å; N93-N98 HydrophobicContact CB-CB 4.42Å; N93-N98 PolarHBondContact O-ND2 3.01Å; N93-N98 VanDerWaalsContact O-ND2 3.12Å; E95-N98 WeakPolarHBondContact O-CB 3.15Å; E95-N98 PolarHBondContact O-N 3.41Å; A96-N98 VanDerWaalsContact C-N 3.27Å; N98-W100 PolarHBondContact O-N 3.32Å
99C85.4Confident86.6Confident11 Ų1142.8 Ų42.87%0.07425%0.245CC..  trans-81.4113.2171-1760000109.4Q23 G97 T101 L122Q23-C99 PolarHBondContact NE2-SG 3.44Å; G97-C99 PolarHBondContact O-N 3Å; C99-T101 PolarHBondContact O-N 3.01Å; C99-L122 HydrophobicContact CB-CD1 3.46Å; C99-L122 VanDerWaalsContact CB-CD1 3.46Å; C99-L122 VanDerWaalsContact SG-CD1 3.55Å
100W90.1Very high86.4Confident0 Ų042.9 Ų42.90%025%0.246CC..  trans-64.7119.9175.4-70.425.9000108.6W21 Q23 V28 L66 F67 D68 T70 K91 N98 S102 L103W21-W100 HydrophobicContact CH2-CB 4.28Å; W21-W100 WeakPolarHBondContact CH2-O 3.38Å; W21-W100 HydrophobicContact CZ3-CB 4.21Å; Q23-W100 PolarHBondContact NE2-O 2.85Å; V28-W100 HydrophobicContact CG1-CE3 4.41Å; V28-W100 HydrophobicContact CG1-CZ3 4.47Å; V28-W100 HydrophobicContact CG2-CD2 3.88Å; V28-W100 HydrophobicContact CG2-CE3 3.93Å; V28-W100 HydrophobicContact CG2-CG 4.48Å; V28-W100 HydrophobicContact CG2-CH2 4.22Å; V28-W100 HydrophobicContact CG2-CZ2 4.18Å; V28-W100 HydrophobicContact CG2-CZ3 4.11Å; L66-W100 HydrophobicContact CB-CH2 3.83Å; L66-W100 HydrophobicContact CB-CZ3 4.12Å; L66-W100 HydrophobicContact CD1-CH2 4.35Å; L66-W100 HydrophobicContact CD2-CH2 4.04Å; L66-W100 HydrophobicContact CD2-CZ3 3.9Å; L66-W100 HydrophobicContact CG-CH2 4.3Å; F67-W100 HydrophobicContact CB-CD2 3.97Å; F67-W100 HydrophobicContact CB-CE3 3.83Å; F67-W100 HydrophobicContact CB-CG 4.32Å; F67-W100 HydrophobicContact CB-CZ3 4.3Å; F67-W100 HydrophobicContact CD1-CB 3.98Å; F67-W100 AromaticContact CD1-CD1 3.79Å; F67-W100 HydrophobicContact CD1-CD2 4.11Å; F67-W100 AromaticContact CD1-CG 3.72Å; F67-W100 HydrophobicContact CD1-CG 3.72Å; F67-W100 HydrophobicContact CG-CB 4.38Å; F67-W100 HydrophobicContact CG-CD2 4.47Å; F67-W100 HydrophobicContact CG-CG 4.33Å; D68-W100 HydrophobicContact CB-CZ2 3.92Å; D68-W100 WeakPolarHBondContact O-CZ2 3.24Å; T70-W100 HydrophobicContact CG2-CH2 3.62Å; T70-W100 HydrophobicContact CG2-CZ2 3.75Å; K91-W100 HydrophobicContact CG-CZ2 4.42Å; N98-W100 PolarHBondContact O-N 3.32Å; W100-S102 VanDerWaalsContact C-N 3.31Å; W100-L103 HydrophobicContact CZ3-CD1 4.34Å
101T90.3Very high86.3Confident50 Ų5046 Ų4631%0.30726%0.263SS..SBendtrans-83-18.9177.755.40000111.7F67 C99 A110F67-T101 WeakPolarHBondContact CE2-OG1 3.41Å; C99-T101 PolarHBondContact O-N 3.01Å; T101-A110 PolarHBondContact O-N 2.88Å
102S92.7Very high86Confident5 Ų549.9 Ų49.94%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-145.7157.2177.364.80000109.8F67 W100 L104 E107F67-S102 WeakPolarHBondContact CB-O 3.31Å; F67-S102 WeakPolarHBondContact CD2-OG 3.44Å; W100-S102 VanDerWaalsContact C-N 3.31Å; S102-L104 VanDerWaalsContact CB-O 3.29Å; S102-L104 WeakPolarHBondContact CB-O 3.48Å; S102-L104 PolarHBondContact OG-O 3.36Å; S102-E107 WeakPolarHBondContact CB-O 3.44Å
103L92Very high85.8Confident0 Ų054 Ų540%030%0.301CS..EExtended strand (participates in β ladder)trans-74-42.8175-178.262000111.2W18 W21 V28 I30 F67 W100W18-L103 HydrophobicContact CH2-CD2 3.7Å; W18-L103 HydrophobicContact CZ2-CD2 3.91Å; W21-L103 HydrophobicContact CB-CD1 4.37Å; W21-L103 HydrophobicContact CB-CD2 4.23Å; W21-L103 HydrophobicContact CD2-CB 3.98Å; W21-L103 HydrophobicContact CD2-CD1 4.31Å; W21-L103 HydrophobicContact CE3-CD1 4.45Å; W21-L103 HydrophobicContact CG-CB 4.06Å; W21-L103 HydrophobicContact CG-CD1 4.28Å; W21-L103 HydrophobicContact CG-CD2 4.14Å; W21-L103 HydrophobicContact CG-CG 4.4Å; W21-L103 HydrophobicContact CZ2-CB 4.43Å; V28-L103 HydrophobicContact CG1-CD1 3.89Å; I30-L103 HydrophobicContact CD1-CD1 3.75Å; I30-L103 HydrophobicContact CD1-CD2 4.13Å; I30-L103 HydrophobicContact CD1-CG 4.47Å; I30-L103 HydrophobicContact CG1-CD1 3.82Å; I30-L103 HydrophobicContact CG1-CD2 4.19Å; I30-L103 HydrophobicContact CG2-CD2 4.21Å; F67-L103 PolarHBondContact N-O 3.5Å; W100-L103 HydrophobicContact CZ3-CD1 4.34Å
104L93.1Very high86Confident1 Ų151.9 Ų51.91%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-116.5159.9177.7-56.6-176.9000110.2I52 R65 L66 S102 G106 E107 Y108I52-L104 HydrophobicContact CG2-CD2 3.4Å; R65-L104 CarbonylContact O-C 3.44Å; R65-L104 WeakPolarHBondContact O-CA 3.35Å; R65-L104 WeakPolarHBondContact O-CB 3.31Å; L66-L104 HydrophobicContact CD2-CD2 4.28Å; S102-L104 VanDerWaalsContact CB-O 3.29Å; S102-L104 WeakPolarHBondContact CB-O 3.48Å; S102-L104 PolarHBondContact OG-O 3.36Å; L104-G106 PolarHBondContact O-N 3.44Å; L104-E107 HydrophobicContact CB-CB 4.09Å; L104-E107 PolarHBondContact N-O 2.9Å; L104-E107 PolarHBondContact O-N 3.25Å; L104-E107 VanDerWaalsContact O-O 3.11Å; L104-Y108 HydrophobicContact CB-CD2 4.38Å; L104-Y108 HydrophobicContact CD1-CD2 3.8Å; L104-Y108 HydrophobicContact CD1-CE2 3.55Å; L104-Y108 HydrophobicContact CG-CD2 3.88Å; L104-Y108 HydrophobicContact CG-CE2 4.16Å
105E91.3Very high86.2Confident93 Ų9350.4 Ų50.444%0.43529%0.288SS..THydrogen-bonded Turntrans-59102.4174.7-68.9-173.8109.900110.3R50 R65 L66 E107R50-E105 IonicContact NH2-OE1 3.04Å; R50-E105 PolarHBondContact NH2-OE1 3.23Å; R50-E105 IonicContact NH2-OE2 2.94Å; R65-E105 HydrophobicContact CB-CG 4.24Å; R65-E105 WeakPolarHBondContact CB-OE2 3.45Å; R65-E105 WeakPolarHBondContact CD-OE2 3.45Å; R65-E105 IonicContact NE-OE2 2.92Å; R65-E105 PolarHBondContact O-N 2.89Å; L66-E105 WeakPolarHBondContact O-CG 3.46Å; E105-E107 PolarHBondContact O-N 3.45Å
106G84.9Confident86.7Confident67 Ų6747 Ų4769%0.69127%0.274SS*.THydrogen-bonded Turntrans820.817900000116.2L104L104-G106 PolarHBondContact O-N 3.44Å
107E88.9Confident87.5Confident102 Ų10249.5 Ų49.548%0.47729%0.285SS..EExtended strand (participates in β ladder)trans-128.4153.2179-72.8-164.493.100113.1S102 L104 E105 C109S102-E107 WeakPolarHBondContact CB-O 3.44Å; L104-E107 HydrophobicContact CB-CB 4.09Å; L104-E107 PolarHBondContact N-O 2.9Å; L104-E107 PolarHBondContact O-N 3.25Å; L104-E107 VanDerWaalsContact O-O 3.11Å; E105-E107 PolarHBondContact O-N 3.45Å; E107-C109 PolarHBondContact O-N 3.19Å
108Y90.1Very high88.2Confident48 Ų4847.8 Ų47.819%0.18827%0.265CS..EExtended strand (participates in β ladder)trans56.238-176.7-49.4-72.2000113T16 W18 W21 F62 L104 A110T16-Y108 HydrophobicContact CG2-CD1 3.55Å; T16-Y108 HydrophobicContact CG2-CE1 4.39Å; T16-Y108 HydrophobicContact CG2-CG 4.11Å; W18-Y108 AromaticContact CE2-CE1 3.78Å; W18-Y108 HydrophobicContact CZ2-CD1 4.08Å; W18-Y108 HydrophobicContact CZ2-CD2 4.49Å; W18-Y108 AromaticContact CZ2-CE1 3.98Å; W18-Y108 HydrophobicContact CZ2-CE1 3.98Å; W18-Y108 HydrophobicContact CZ2-CE2 4.4Å; W18-Y108 HydrophobicContact CZ2-CG 4.33Å; W18-Y108 AromaticContact NE1-CE1 3.11Å; W18-Y108 AromaticContact NE1-CZ 3.24Å; W18-Y108 PolarHBondContact NE1-OH 2.93Å; W18-Y108 VanDerWaalsContact NE1-OH 3.14Å; W21-Y108 WeakPolarHBondContact CZ2-O 3.48Å; W21-Y108 PolarHBondContact NE1-O 2.74Å; F62-Y108 HydrophobicContact CB-CE2 3.97Å; F62-Y108 WeakPolarHBondContact CB-OH 3.25Å; L104-Y108 HydrophobicContact CB-CD2 4.38Å; L104-Y108 HydrophobicContact CD1-CD2 3.8Å; L104-Y108 HydrophobicContact CD1-CE2 3.55Å; L104-Y108 HydrophobicContact CG-CD2 3.88Å; L104-Y108 HydrophobicContact CG-CE2 4.16Å; Y108-A110 PolarHBondContact O-N 3.44Å
109C89.3Confident88.4Confident74 Ų7448.3 Ų48.350%0.527%0.268SS..EExtended strand (participates in β ladder)trans-62.6130.1178.1-53.80000110.8E107E107-C109 PolarHBondContact O-N 3.19Å
110A88.5Confident88.3Confident2 Ų251.4 Ų51.42%0.01728%0.278CS..PPolyproline II helixtrans-64.4140164.800000108.7C14 W21 T101 Y108 V114 Q115 M118C14-A110 HydrophobicContact CB-CB 4.36Å; W21-A110 HydrophobicContact CZ2-CB 4.32Å; T101-A110 PolarHBondContact O-N 2.88Å; Y108-A110 PolarHBondContact O-N 3.44Å; A110-V114 HydrophobicContact CB-CB 4.02Å; A110-V114 HydrophobicContact CB-CG1 3.69Å; A110-Q115 HydrophobicContact CB-CG 3.61Å; A110-Q115 PolarHBondContact O-NE2 3.32Å; A110-M118 HydrophobicContact CB-SD 4.34Å
111N89.2Confident87.9Confident95 Ų9552.1 Ų52.151%0.50828%0.281SS..PPolyproline II helixtrans-70.1164.6172.867.647.3000110.4W113 V114 Q115N111-W113 PolarHBondContact O-N 3.28Å; N111-W113 VanDerWaalsContact O-N 3.1Å; N111-W113 WeakPolarHBondContact OD1-CB 3.5Å; N111-W113 PolarHBondContact OD1-N 2.94Å; N111-W113 VanDerWaalsContact OD1-N 3.11Å; N111-V114 PolarHBondContact O-N 3.42Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.44Å; N111-V114 PolarHBondContact OD1-N 2.9Å; N111-Q115 WeakPolarHBondContact O-CG 3.27Å; N111-Q115 PolarHBondContact O-N 3.46Å
112A85.3Confident87.7Confident82 Ų8249.9 Ų49.968%0.67827%0.267SS*.Hα-helixtrans-54.4-34.7-175.800000113.7D116A112-D116 WeakPolarHBondContact O-CB 3.42Å; A112-D116 PolarHBondContact O-N 3.45Å; A112-D116 VanDerWaalsContact O-N 3.11Å
113W86.8Confident87.2Confident168 Ų16850.3 Ų50.364%0.63627%0.269SS*.Hα-helixtrans-71-47.2177.2-175.884.1000111.6N111 Q115 D116 Q117N111-W113 PolarHBondContact O-N 3.28Å; N111-W113 VanDerWaalsContact O-N 3.1Å; N111-W113 WeakPolarHBondContact OD1-CB 3.5Å; N111-W113 PolarHBondContact OD1-N 2.94Å; N111-W113 VanDerWaalsContact OD1-N 3.11Å; W113-Q115 VanDerWaalsContact C-N 3.31Å; W113-Q115 PolarHBondContact O-N 3.31Å; W113-D116 PolarHBondContact O-N 2.86Å; W113-Q117 HydrophobicContact CD2-CG 4.07Å; W113-Q117 HydrophobicContact CE3-CG 4.17Å; W113-Q117 HydrophobicContact CH2-CG 3.99Å; W113-Q117 HydrophobicContact CZ2-CG 3.87Å; W113-Q117 HydrophobicContact CZ3-CG 4.14Å; W113-Q117 VanDerWaalsContact O-CG 3.31Å; W113-Q117 WeakPolarHBondContact O-CG 3.49Å; W113-Q117 PolarHBondContact O-N 2.9Å
114V88.2Confident86.7Confident13 Ų1350.8 Ų50.88%0.07927%0.272CS..Hα-helixtrans-62.5-39.5177174.50000110.9V12 C14 A110 N111 Q117 M118V12-V114 HydrophobicContact CG1-CG1 4.07Å; C14-V114 HydrophobicContact CB-CG1 4.2Å; A110-V114 HydrophobicContact CB-CB 4.02Å; A110-V114 HydrophobicContact CB-CG1 3.69Å; N111-V114 PolarHBondContact O-N 3.42Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.44Å; N111-V114 PolarHBondContact OD1-N 2.9Å; V114-Q117 PolarHBondContact O-N 3.49Å; V114-M118 HydrophobicContact CG1-CE 3.77Å; V114-M118 HydrophobicContact CG1-CG 4.34Å; V114-M118 HydrophobicContact CG1-SD 4.14Å; V114-M118 WeakPolarHBondContact O-CB 3.37Å; V114-M118 VanDerWaalsContact O-CG 3.31Å; V114-M118 WeakPolarHBondContact O-CG 3.36Å; V114-M118 PolarHBondContact O-N 3.2Å
115Q86.4Confident86.2Confident61 Ų6151.6 Ų51.629%0.28528%0.275SS..Hα-helixtrans-61.3-47175.4-70.8-177.618.400111.8A110 N111 W113 Q117 M118 Q119A110-Q115 HydrophobicContact CB-CG 3.61Å; A110-Q115 PolarHBondContact O-NE2 3.32Å; N111-Q115 WeakPolarHBondContact O-CG 3.27Å; N111-Q115 PolarHBondContact O-N 3.46Å; W113-Q115 VanDerWaalsContact C-N 3.31Å; W113-Q115 PolarHBondContact O-N 3.31Å; Q115-Q117 VanDerWaalsContact C-N 3.32Å; Q115-Q117 PolarHBondContact O-N 3.07Å; Q115-M118 PolarHBondContact O-N 3.28Å; Q115-Q119 WeakPolarHBondContact O-CB 3.46Å; Q115-Q119 PolarHBondContact O-N 3.47Å
116D86Confident85.7Confident53 Ų5349.8 Ų49.828%0.28327%0.265SS..Hα-helixtrans-59.4-43.4175.5167.2-92000111.3A112 W113 Q119 R120A112-D116 WeakPolarHBondContact O-CB 3.42Å; A112-D116 PolarHBondContact O-N 3.45Å; A112-D116 VanDerWaalsContact O-N 3.11Å; W113-D116 PolarHBondContact O-N 2.86Å; D116-Q119 PolarHBondContact O-N 3.34Å; D116-R120 VanDerWaalsContact CG-NE 3.32Å; D116-R120 VanDerWaalsContact O-CG 3.28Å; D116-R120 WeakPolarHBondContact O-CG 3.22Å; D116-R120 PolarHBondContact O-N 2.94Å; D116-R120 IonicContact OD1-CZ 3.95Å; D116-R120 IonicContact OD1-NE 3.7Å; D116-R120 PolarHBondContact OD1-NE 3.25Å; D116-R120 IonicContact OD1-NH1 3.84Å; D116-R120 IonicContact OD1-NH2 3.58Å; D116-R120 PolarHBondContact OD1-NH2 3.4Å; D116-R120 IonicContact OD2-CZ 2.98Å; D116-R120 IonicContact OD2-NE 3.92Å; D116-R120 PolarHBondContact OD2-NE 2.66Å; D116-R120 VanDerWaalsContact OD2-NE 3.13Å; D116-R120 IonicContact OD2-NH2 3.13Å; D116-R120 PolarHBondContact OD2-NH2 3.21Å; D116-R120 VanDerWaalsContact OD2-NH2 3.07Å
117Q85.4Confident85.5Confident55 Ų5548.9 Ų48.926%0.25724%0.242SC..Hα-helixtrans-65.2-41.9177.2-65.7-58.7-76.900112.8V12 W113 V114 Q115 R120 K121V12-Q117 HydrophobicContact CG1-CB 3.7Å; V12-Q117 HydrophobicContact CG2-CB 4.13Å; W113-Q117 HydrophobicContact CD2-CG 4.07Å; W113-Q117 HydrophobicContact CE3-CG 4.17Å; W113-Q117 HydrophobicContact CH2-CG 3.99Å; W113-Q117 HydrophobicContact CZ2-CG 3.87Å; W113-Q117 HydrophobicContact CZ3-CG 4.14Å; W113-Q117 VanDerWaalsContact O-CG 3.31Å; W113-Q117 WeakPolarHBondContact O-CG 3.49Å; W113-Q117 PolarHBondContact O-N 2.9Å; V114-Q117 PolarHBondContact O-N 3.49Å; Q115-Q117 VanDerWaalsContact C-N 3.32Å; Q115-Q117 PolarHBondContact O-N 3.07Å; Q117-R120 PolarHBondContact O-N 3.06Å; Q117-K121 WeakPolarHBondContact O-CB 3.47Å; Q117-K121 PolarHBondContact O-N 2.92Å
118M87.5Confident84.9Confident5 Ų545.9 Ų45.93%0.02523%0.228CC..Hα-helixtrans-61.6-46.4174.1-74.2178.417200111V12 C14 W21 Q23 A110 V114 Q115 R120 K121 L122V12-M118 HydrophobicContact CB-CG 4.08Å; V12-M118 HydrophobicContact CG1-CG 3.89Å; V12-M118 WeakPolarHBondContact O-CE 3.34Å; C14-M118 HydrophobicContact CB-CE 3.8Å; W21-M118 HydrophobicContact CE3-CE 4.41Å; W21-M118 HydrophobicContact CH2-CE 4.09Å; W21-M118 HydrophobicContact CH2-SD 4.12Å; W21-M118 HydrophobicContact CZ2-CE 4.48Å; W21-M118 HydrophobicContact CZ3-CE 4.06Å; W21-M118 HydrophobicContact CZ3-SD 4.29Å; Q23-M118 HydrophobicContact CG-SD 4.39Å; Q23-M118 PolarHBondContact NE2-SD 2.76Å; A110-M118 HydrophobicContact CB-SD 4.34Å; V114-M118 HydrophobicContact CG1-CE 3.77Å; V114-M118 HydrophobicContact CG1-CG 4.34Å; V114-M118 HydrophobicContact CG1-SD 4.14Å; V114-M118 WeakPolarHBondContact O-CB 3.37Å; V114-M118 VanDerWaalsContact O-CG 3.31Å; V114-M118 WeakPolarHBondContact O-CG 3.36Å; V114-M118 PolarHBondContact O-N 3.2Å; Q115-M118 PolarHBondContact O-N 3.28Å; M118-R120 PolarHBondContact O-N 3.01Å; M118-K121 PolarHBondContact O-N 3.5Å; M118-L122 VanDerWaalsContact O-CG 3.27Å; M118-L122 WeakPolarHBondContact O-CG 3.46Å; M118-L122 PolarHBondContact O-N 3.2Å
119Q84.6Confident84.3Confident30 Ų3050.5 Ų50.514%0.1425%0.245CC..Hα-helixtrans-60.7-44.9178.9-172.664.945.100111.8A96 Q115 D116 K121 L122 T123 F145 G148A96-Q119 PolarHBondContact O-NE2 3.5Å; Q115-Q119 WeakPolarHBondContact O-CB 3.46Å; Q115-Q119 PolarHBondContact O-N 3.47Å; D116-Q119 PolarHBondContact O-N 3.34Å; Q119-K121 VanDerWaalsContact C-N 3.33Å; Q119-K121 PolarHBondContact O-N 2.9Å; Q119-L122 PolarHBondContact O-N 2.91Å; Q119-T123 WeakPolarHBondContact O-CB 3.43Å; Q119-T123 PolarHBondContact O-N 3.09Å; Q119-T123 PolarHBondContact O-OG1 2.85Å; Q119-F145 HydrophobicContact CG-CB 4.29Å; Q119-G148 VanDerWaalsContact NE2-CA 3.34Å
120R83.1Confident83.9Confident76 Ų7650.8 Ų50.829%0.28724%0.239SC..Hα-helixtrans-59.9-45.5175.4-72.8177-165.1-162.76.4110.9D116 Q117 M118 T123 L124 F145D116-R120 VanDerWaalsContact CG-NE 3.32Å; D116-R120 VanDerWaalsContact O-CG 3.28Å; D116-R120 WeakPolarHBondContact O-CG 3.22Å; D116-R120 PolarHBondContact O-N 2.94Å; D116-R120 IonicContact OD1-CZ 3.95Å; D116-R120 IonicContact OD1-NE 3.7Å; D116-R120 PolarHBondContact OD1-NE 3.25Å; D116-R120 IonicContact OD1-NH1 3.84Å; D116-R120 IonicContact OD1-NH2 3.58Å; D116-R120 PolarHBondContact OD1-NH2 3.4Å; D116-R120 IonicContact OD2-CZ 2.98Å; D116-R120 IonicContact OD2-NE 3.92Å; D116-R120 PolarHBondContact OD2-NE 2.66Å; D116-R120 VanDerWaalsContact OD2-NE 3.13Å; D116-R120 IonicContact OD2-NH2 3.13Å; D116-R120 PolarHBondContact OD2-NH2 3.21Å; D116-R120 VanDerWaalsContact OD2-NH2 3.07Å; Q117-R120 PolarHBondContact O-N 3.06Å; M118-R120 PolarHBondContact O-N 3.01Å; R120-T123 WeakPolarHBondContact O-CB 3.45Å; R120-T123 PolarHBondContact O-N 3.12Å; R120-L124 WeakPolarHBondContact O-CB 3.44Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-F145 HydrophobicContact CG-CD2 3.76Å; R120-F145 HydrophobicContact CG-CE2 4.02Å; R120-F145 HydrophobicContact CG-CG 4.41Å
121K83.3Confident83.5Confident15 Ų1553 Ų537%0.06525%0.251CS..Hα-helixtrans-63-45.1179.2-172.4178.8174.7-169.20112.3F5 G10 V12 Q117 M118 Q119 T123 L124 E125F5-K121 HydrophobicContact CE1-CG 4.11Å; G10-K121 WeakPolarHBondContact O-CE 3.5Å; G10-K121 PolarHBondContact O-NZ 3.13Å; V12-K121 HydrophobicContact CG2-CD 4.21Å; Q117-K121 WeakPolarHBondContact O-CB 3.47Å; Q117-K121 PolarHBondContact O-N 2.92Å; M118-K121 PolarHBondContact O-N 3.5Å; Q119-K121 VanDerWaalsContact C-N 3.33Å; Q119-K121 PolarHBondContact O-N 2.9Å; K121-T123 VanDerWaalsContact C-N 3.3Å; K121-T123 PolarHBondContact O-N 2.84Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.13Å; K121-E125 PolarHBondContact O-N 2.98Å
122L84.4Confident82.7Confident3 Ų354 Ų542%0.01626%0.262CS..Hα-helixtrans-61.8-40176.3-68.5167.7000111.8Q23 T24 M25 A96 C99 M118 Q119 L124 E125 R126Q23-L122 HydrophobicContact CG-CD1 4.46Å; T24-L122 VanDerWaalsContact O-CD2 3.28Å; T24-L122 WeakPolarHBondContact O-CD2 3.5Å; M25-L122 HydrophobicContact CB-CD2 4.33Å; M25-L122 HydrophobicContact CG-CB 4.39Å; M25-L122 HydrophobicContact CG-CD2 3.82Å; A96-L122 HydrophobicContact CB-CB 4.5Å; C99-L122 HydrophobicContact CB-CD1 3.46Å; C99-L122 VanDerWaalsContact CB-CD1 3.46Å; C99-L122 VanDerWaalsContact SG-CD1 3.55Å; M118-L122 VanDerWaalsContact O-CG 3.27Å; M118-L122 WeakPolarHBondContact O-CG 3.46Å; M118-L122 PolarHBondContact O-N 3.2Å; Q119-L122 PolarHBondContact O-N 2.91Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-E125 PolarHBondContact O-N 2.96Å; L122-R126 WeakPolarHBondContact O-CB 3.09Å; L122-R126 PolarHBondContact O-N 3.27Å
123T83.4Confident82.1Confident13 Ų1353.7 Ų53.78%0.0827%0.267CS..Hα-helixtrans-64.2-40.8175.3-54.70000111.1Q119 R120 K121 R126 F127 I141 F145 G148Q119-T123 WeakPolarHBondContact O-CB 3.43Å; Q119-T123 PolarHBondContact O-N 3.09Å; Q119-T123 PolarHBondContact O-OG1 2.85Å; R120-T123 WeakPolarHBondContact O-CB 3.45Å; R120-T123 PolarHBondContact O-N 3.12Å; K121-T123 VanDerWaalsContact C-N 3.3Å; K121-T123 PolarHBondContact O-N 2.84Å; T123-R126 WeakPolarHBondContact O-CB 3.29Å; T123-R126 PolarHBondContact O-N 3.2Å; T123-F127 WeakPolarHBondContact O-CB 3.45Å; T123-F127 PolarHBondContact O-N 3.34Å; T123-I141 HydrophobicContact CG2-CD1 4.26Å; T123-F145 HydrophobicContact CG2-CD1 4.49Å; T123-G148 WeakPolarHBondContact CG2-O 3.42Å
124L81.9Confident81.2Confident11 Ų1152.2 Ų52.26%0.05827%0.265CS..Hα-helixtrans-65.8-43.1177-167.563.2000111.9F5 R120 K121 L122 R126 F127 Q128 F136 A139 I141F5-L124 HydrophobicContact CE2-CD2 4.17Å; F5-L124 HydrophobicContact CE2-CG 4.06Å; F5-L124 HydrophobicContact CZ-CB 3.94Å; F5-L124 HydrophobicContact CZ-CD2 3.75Å; F5-L124 HydrophobicContact CZ-CG 3.71Å; R120-L124 WeakPolarHBondContact O-CB 3.44Å; R120-L124 PolarHBondContact O-N 3.04Å; K121-L124 WeakPolarHBondContact O-CB 3.49Å; K121-L124 PolarHBondContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.86Å; L124-F127 PolarHBondContact O-N 3.44Å; L124-Q128 WeakPolarHBondContact O-CB 3.47Å; L124-Q128 PolarHBondContact O-N 2.86Å; L124-F136 HydrophobicContact CD1-CB 3.86Å; L124-F136 WeakPolarHBondContact CD1-O 3.38Å; L124-F136 WeakPolarHBondContact CD2-O 3.37Å; L124-A139 HydrophobicContact CD1-CB 4.21Å; L124-I141 HydrophobicContact CB-CD1 3.6Å; L124-I141 HydrophobicContact CB-CG1 4.48Å; L124-I141 HydrophobicContact CD1-CD1 3.69Å; L124-I141 HydrophobicContact CD1-CG1 3.84Å; L124-I141 HydrophobicContact CG-CD1 4.2Å
125E80.8Confident80.3Confident17 Ų1756.4 Ų56.48%0.07929%0.287CS..Hα-helixtrans-60.2-42.2175.9-171.8173.196.800111.3F5 M25 K121 L122 Q128 R129F5-E125 HydrophobicContact CD1-CB 4.01Å; F5-E125 HydrophobicContact CD1-CG 4Å; F5-E125 HydrophobicContact CE1-CB 3.71Å; F5-E125 HydrophobicContact CE1-CG 4.23Å; F5-E125 HydrophobicContact CZ-CB 4.27Å; M25-E125 WeakPolarHBondContact CB-OE1 3.12Å; M25-E125 HydrophobicContact CG-CB 4.26Å; M25-E125 HydrophobicContact CG-CG 4.27Å; M25-E125 WeakPolarHBondContact CG-OE1 3.18Å; M25-E125 PolarHBondContact N-OE1 3.35Å; M25-E125 HydrophobicContact SD-CB 4Å; M25-E125 HydrophobicContact SD-CG 4.02Å; K121-E125 PolarHBondContact O-N 2.98Å; L122-E125 PolarHBondContact O-N 2.96Å; E125-Q128 PolarHBondContact O-N 3.06Å; E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 PolarHBondContact O-N 3.11Å
126R81.8Confident79.2Confident56 Ų5655.7 Ų55.721%0.21128%0.283CS..Hα-helixtrans-60.1-51.2173.8-173.1-168.7164.5176.71.7111.1M25 A96 L122 T123 L124 Q128 R129 E130 D151M25-R126 HydrophobicContact CE-CB 3.8Å; M25-R126 HydrophobicContact CE-CG 3.97Å; M25-R126 WeakPolarHBondContact SD-CA 3.38Å; M25-R126 HydrophobicContact SD-CB 3.58Å; M25-R126 VanDerWaalsContact SD-CB 3.58Å; M25-R126 HydrophobicContact SD-CG 4.38Å; M25-R126 PolarHBondContact SD-N 2.93Å; A96-R126 HydrophobicContact CB-CB 3.94Å; A96-R126 HydrophobicContact CB-CG 4.29Å; L122-R126 WeakPolarHBondContact O-CB 3.09Å; L122-R126 PolarHBondContact O-N 3.27Å; T123-R126 WeakPolarHBondContact O-CB 3.29Å; T123-R126 PolarHBondContact O-N 3.2Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.86Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q128 PolarHBondContact O-N 2.83Å; R126-R129 WeakPolarHBondContact O-CB 3.49Å; R126-R129 PolarHBondContact O-N 2.97Å; R126-E130 HydrophobicContact CG-CG 4.49Å; R126-E130 WeakPolarHBondContact CG-OE2 3.46Å; R126-E130 IonicContact CZ-OE1 3.72Å; R126-E130 IonicContact NE-OE1 3.07Å; R126-E130 PolarHBondContact NE-OE1 2.77Å; R126-E130 IonicContact NE-OE2 2.68Å; R126-E130 PolarHBondContact NE-OE2 3.05Å; R126-E130 IonicContact NH2-OE1 2.95Å; R126-E130 PolarHBondContact NH2-OE1 3.31Å; R126-E130 WeakPolarHBondContact O-CG 3.38Å; R126-E130 PolarHBondContact O-N 2.72Å; R126-D151 IonicContact CZ-OD2 3.58Å; R126-D151 IonicContact NH1-OD2 3.54Å; R126-D151 IonicContact NH2-OD2 3.97Å; R126-D151 PolarHBondContact NH2-OD2 3.11Å
127F80Confident78.2Confident48 Ų4854.2 Ų54.221%0.21128%0.276CS..Hα-helixtrans-62.5-38.7-177.1-162.9-107.1000112.2T123 L124 E130 N131 F136 F152T123-F127 WeakPolarHBondContact O-CB 3.45Å; T123-F127 PolarHBondContact O-N 3.34Å; L124-F127 PolarHBondContact O-N 3.44Å; F127-E130 PolarHBondContact O-N 2.88Å; F127-N131 WeakPolarHBondContact O-CB 3.48Å; F127-N131 PolarHBondContact O-N 3Å; F127-N131 PolarHBondContact O-ND2 3.41Å; F127-F136 HydrophobicContact CD1-CD1 4.23Å; F127-F136 AromaticContact CD1-CD2 3.64Å; F127-F136 HydrophobicContact CD1-CD2 3.64Å; F127-F136 HydrophobicContact CD1-CE1 4.26Å; F127-F136 AromaticContact CD1-CE2 3.61Å; F127-F136 HydrophobicContact CD1-CE2 3.61Å; F127-F136 AromaticContact CD1-CG 3.95Å; F127-F136 HydrophobicContact CD1-CG 3.95Å; F127-F136 AromaticContact CD1-CZ 3.98Å; F127-F136 HydrophobicContact CD1-CZ 3.98Å; F127-F136 HydrophobicContact CE1-CD1 4.16Å; F127-F136 AromaticContact CE1-CD2 3.94Å; F127-F136 HydrophobicContact CE1-CD2 3.94Å; F127-F136 AromaticContact CE1-CE1 3.74Å; F127-F136 HydrophobicContact CE1-CE1 3.74Å; F127-F136 AromaticContact CE1-CE2 3.44Å; F127-F136 HydrophobicContact CE1-CE2 3.44Å; F127-F136 VanDerWaalsContact CE1-CE2 3.44Å; F127-F136 HydrophobicContact CE1-CG 4.27Å; F127-F136 AromaticContact CE1-CZ 3.37Å; F127-F136 HydrophobicContact CE1-CZ 3.37Å; F127-F136 HydrophobicContact CZ-CZ 4.4Å; F127-F152 AromaticContact CD2-CD2 3.93Å; F127-F152 HydrophobicContact CD2-CD2 3.93Å; F127-F152 HydrophobicContact CE2-CB 3.88Å; F127-F152 AromaticContact CE2-CD2 3.38Å; F127-F152 HydrophobicContact CE2-CD2 3.38Å; F127-F152 HydrophobicContact CE2-CE2 4.02Å; F127-F152 AromaticContact CE2-CG 3.76Å; F127-F152 HydrophobicContact CE2-CG 3.76Å; F127-F152 HydrophobicContact CZ-CD2 4.3Å
128Q77.6Confident77.1Confident38 Ų3855.2 Ų55.218%0.17830%0.302CS..Hα-helixtrans-62.9-39.7173.7-177.765.261.700112.1F5 L124 E125 R126 N131 F134F5-Q128 HydrophobicContact CD2-CG 4.29Å; F5-Q128 HydrophobicContact CE2-CB 4.5Å; L124-Q128 WeakPolarHBondContact O-CB 3.47Å; L124-Q128 PolarHBondContact O-N 2.86Å; E125-Q128 PolarHBondContact O-N 3.06Å; R126-Q128 VanDerWaalsContact C-N 3.3Å; R126-Q128 PolarHBondContact O-N 2.83Å; Q128-N131 CarbonylContact O-C 3.55Å; Q128-N131 VanDerWaalsContact O-C 3.28Å; Q128-N131 PolarHBondContact O-N 3.1Å; Q128-F134 PolarHBondContact NE2-O 2.94Å; Q128-F134 PolarHBondContact OE1-O 2.68Å
129R77.4Confident76Confident146 Ų14657 Ų5755%0.55132%0.317SS*.Hα-helixtrans-70.2-37.1177.2-173.7178.9-179.7157.42.5112.1E26 E125 R126 N131E26-R129 IonicContact OE1-NH1 3.16Å; E26-R129 IonicContact OE2-NH1 2.72Å; E26-R129 PolarHBondContact OE2-NH1 3.4Å; E26-R129 VanDerWaalsContact OE2-NH1 3.16Å; E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 PolarHBondContact O-N 3.11Å; R126-R129 WeakPolarHBondContact O-CB 3.49Å; R126-R129 PolarHBondContact O-N 2.97Å; R129-N131 VanDerWaalsContact C-N 3.31Å
130E80.8Confident74.9Confident79 Ų7964.1 Ų64.137%0.36935%0.351SS..Hα-helixtrans-72-26.4175.5-71170.1143.500111.8R126 F127 P132R126-E130 HydrophobicContact CG-CG 4.49Å; R126-E130 WeakPolarHBondContact CG-OE2 3.46Å; R126-E130 IonicContact CZ-OE1 3.72Å; R126-E130 IonicContact NE-OE1 3.07Å; R126-E130 PolarHBondContact NE-OE1 2.77Å; R126-E130 IonicContact NE-OE2 2.68Å; R126-E130 PolarHBondContact NE-OE2 3.05Å; R126-E130 IonicContact NH2-OE1 2.95Å; R126-E130 PolarHBondContact NH2-OE1 3.31Å; R126-E130 WeakPolarHBondContact O-CG 3.38Å; R126-E130 PolarHBondContact O-N 2.72Å; F127-E130 PolarHBondContact O-N 2.88Å; E130-P132 VanDerWaalsContact C-CD 3.5Å; E130-P132 WeakPolarHBondContact O-CD 3.45Å
131N79.2Confident73.8Confident50 Ų5062.5 Ų62.527%0.26735%0.347SS..  trans-123.869.3-178.1-61.2-85.2000112.2F127 Q128 R129 G133 F134 F136F127-N131 WeakPolarHBondContact O-CB 3.48Å; F127-N131 PolarHBondContact O-N 3Å; F127-N131 PolarHBondContact O-ND2 3.41Å; Q128-N131 CarbonylContact O-C 3.55Å; Q128-N131 VanDerWaalsContact O-C 3.28Å; Q128-N131 PolarHBondContact O-N 3.1Å; R129-N131 VanDerWaalsContact C-N 3.31Å; N131-G133 PolarHBondContact O-N 3.17Å; N131-F134 PolarHBondContact O-N 2.92Å; N131-F134 VanDerWaalsContact O-N 3.16Å; N131-F136 HydrophobicContact CB-CE2 3.88Å
132P72.8Confident72.5Confident115 Ų11567.3 Ų67.375%0.74738%0.382SS*.THydrogen-bonded Turntrans-65.1-11.2-174.625.9-35000114.9E130E130-P132 VanDerWaalsContact C-CD 3.5Å; E130-P132 WeakPolarHBondContact O-CD 3.45Å
133G72.3Confident71.4Confident75 Ų7569.8 Ų69.877%0.77341%0.409SS*.THydrogen-bonded Turntrans-91.5-3.4178.100000115.4N131N131-G133 PolarHBondContact O-N 3.17Å
134F67.6Low70.1Confident138 Ų13875.8 Ų75.861%0.60544%0.441SS*.SBendtrans-123.8137.1-179.2-77.7-94.4000109.6Q128 N131 F136Q128-F134 PolarHBondContact NE2-O 2.94Å; Q128-F134 PolarHBondContact OE1-O 2.68Å; N131-F134 PolarHBondContact O-N 2.92Å; N131-F134 VanDerWaalsContact O-N 3.16Å; F134-F136 HydrophobicContact CB-CD2 3.9Å; F134-F136 HydrophobicContact CB-CE1 4.46Å; F134-F136 HydrophobicContact CB-CE2 3.18Å; F134-F136 HydrophobicContact CB-CZ 3.49Å; F134-F136 VanDerWaalsContact CB-CZ 3.49Å; F134-F136 HydrophobicContact CD1-CZ 4.16Å; F134-F136 HydrophobicContact CG-CE2 4.05Å; F134-F136 AromaticContact CG-CZ 3.95Å; F134-F136 HydrophobicContact CG-CZ 3.95Å
135D69.1Low69.1Low100 Ų10076 Ų7654%0.53544%0.441SS..  trans-93.6110.5174.3-169.7-72.9000109.4R8 S137R8-D135 IonicContact NH1-OD2 3.47Å; R8-D135 PolarHBondContact NH1-OD2 3.12Å; D135-S137 WeakPolarHBondContact OD1-CB 3.44Å; D135-S137 PolarHBondContact OD1-N 2.88Å; D135-S137 PolarHBondContact OD1-OG 2.95Å
136F63.8Low67.8Low47 Ų4779.1 Ų79.121%0.20647%0.47CS..  trans-106.411.1177.3-64.6-73000112L124 F127 N131 F134 G138 A139L124-F136 HydrophobicContact CD1-CB 3.86Å; L124-F136 WeakPolarHBondContact CD1-O 3.38Å; L124-F136 WeakPolarHBondContact CD2-O 3.37Å; F127-F136 HydrophobicContact CD1-CD1 4.23Å; F127-F136 AromaticContact CD1-CD2 3.64Å; F127-F136 HydrophobicContact CD1-CD2 3.64Å; F127-F136 HydrophobicContact CD1-CE1 4.26Å; F127-F136 AromaticContact CD1-CE2 3.61Å; F127-F136 HydrophobicContact CD1-CE2 3.61Å; F127-F136 AromaticContact CD1-CG 3.95Å; F127-F136 HydrophobicContact CD1-CG 3.95Å; F127-F136 AromaticContact CD1-CZ 3.98Å; F127-F136 HydrophobicContact CD1-CZ 3.98Å; F127-F136 HydrophobicContact CE1-CD1 4.16Å; F127-F136 AromaticContact CE1-CD2 3.94Å; F127-F136 HydrophobicContact CE1-CD2 3.94Å; F127-F136 AromaticContact CE1-CE1 3.74Å; F127-F136 HydrophobicContact CE1-CE1 3.74Å; F127-F136 AromaticContact CE1-CE2 3.44Å; F127-F136 HydrophobicContact CE1-CE2 3.44Å; F127-F136 VanDerWaalsContact CE1-CE2 3.44Å; F127-F136 HydrophobicContact CE1-CG 4.27Å; F127-F136 AromaticContact CE1-CZ 3.37Å; F127-F136 HydrophobicContact CE1-CZ 3.37Å; F127-F136 HydrophobicContact CZ-CZ 4.4Å; N131-F136 HydrophobicContact CB-CE2 3.88Å; F134-F136 HydrophobicContact CB-CD2 3.9Å; F134-F136 HydrophobicContact CB-CE1 4.46Å; F134-F136 HydrophobicContact CB-CE2 3.18Å; F134-F136 HydrophobicContact CB-CZ 3.49Å; F134-F136 VanDerWaalsContact CB-CZ 3.49Å; F134-F136 HydrophobicContact CD1-CZ 4.16Å; F134-F136 HydrophobicContact CG-CE2 4.05Å; F134-F136 AromaticContact CG-CZ 3.95Å; F134-F136 HydrophobicContact CG-CZ 3.95Å; F136-G138 PolarHBondContact O-N 3.07Å; F136-G138 VanDerWaalsContact O-N 3.15Å; F136-A139 HydrophobicContact CB-CB 4.2Å; F136-A139 HydrophobicContact CD1-CB 4.19Å; F136-A139 WeakPolarHBondContact O-CB 3.18Å; F136-A139 PolarHBondContact O-N 3.21Å
137S65.8Low66.6Low21 Ų2179.6 Ų79.615%0.14749%0.492CS..THydrogen-bonded Turntrans-63.1-24.7-17567.60000113.9D135D135-S137 WeakPolarHBondContact OD1-CB 3.44Å; D135-S137 PolarHBondContact OD1-N 2.88Å; D135-S137 PolarHBondContact OD1-OG 2.95Å
138G61.1Low65.5Low76 Ų7677.4 Ų77.478%0.78448%0.483SS*.THydrogen-bonded Turntrans-105.711.6173.800000115F136F136-G138 PolarHBondContact O-N 3.07Å; F136-G138 VanDerWaalsContact O-N 3.15Å
139A65.4Low64.6Low42 Ų4276.4 Ų76.435%0.34748%0.483SS..PPolyproline II helixtrans-83.1134.6-177.900000111.4L124 F136L124-A139 HydrophobicContact CD1-CB 4.21Å; F136-A139 HydrophobicContact CB-CB 4.2Å; F136-A139 HydrophobicContact CD1-CB 4.19Å; F136-A139 WeakPolarHBondContact O-CB 3.18Å; F136-A139 PolarHBondContact O-N 3.21Å
140E61.2Low63.6Low181 Ų18173 Ų7385%0.84648%0.479SS*.PPolyproline II helixtrans-94.4118.1172.6-158.6179.8113.800109
141I61.1Low62.3Low42 Ų4272.9 Ų72.922%0.21548%0.481CS..PPolyproline II helixtrans-87.3120.3-179.4-43.5176.9000109.1T123 L124 F145T123-I141 HydrophobicContact CG2-CD1 4.26Å; L124-I141 HydrophobicContact CB-CD1 3.6Å; L124-I141 HydrophobicContact CB-CG1 4.48Å; L124-I141 HydrophobicContact CD1-CD1 3.69Å; L124-I141 HydrophobicContact CD1-CG1 3.84Å; L124-I141 HydrophobicContact CG-CD1 4.2Å; I141-F145 HydrophobicContact CB-CE1 4.02Å; I141-F145 HydrophobicContact CB-CE2 4.48Å; I141-F145 HydrophobicContact CB-CZ 3.75Å; I141-F145 HydrophobicContact CG2-CD1 4.06Å; I141-F145 HydrophobicContact CG2-CE1 3.05Å; I141-F145 HydrophobicContact CG2-CE2 4.28Å; I141-F145 HydrophobicContact CG2-CZ 3.18Å; I141-F145 WeakPolarHBondContact O-CZ 3.35Å
142S54.4Low61Low115 Ų11575.2 Ų75.280%0.80449%0.489SS*.  trans-116125.4176.4-1710000110.5F145S142-F145 VanDerWaalsContact C-CZ 3.45Å
143G62.6Low59.9Low56 Ų5673.4 Ų73.458%0.57748%0.479SS*.SBendtrans148.6-168.2-172.900000115.5F145G143-F145 WeakPolarHBondContact O-CD2 3.09Å; G143-F145 WeakPolarHBondContact O-CE2 3.37Å
144N56.5Low58.7Low139 Ų13974.4 Ų74.474%0.74348%0.475SS*.  trans-94.5112.2178.2-170.248.5000110.5
145F60.3Low57.6Low15 Ų1574.1 Ų74.17%0.06648%0.479CS..  trans-108.28.8-172.5-51.8-61.7000115.1Q119 R120 T123 I141 S142 G143 G147 G148 G149Q119-F145 HydrophobicContact CG-CB 4.29Å; R120-F145 HydrophobicContact CG-CD2 3.76Å; R120-F145 HydrophobicContact CG-CE2 4.02Å; R120-F145 HydrophobicContact CG-CG 4.41Å; T123-F145 HydrophobicContact CG2-CD1 4.49Å; I141-F145 HydrophobicContact CB-CE1 4.02Å; I141-F145 HydrophobicContact CB-CE2 4.48Å; I141-F145 HydrophobicContact CB-CZ 3.75Å; I141-F145 HydrophobicContact CG2-CD1 4.06Å; I141-F145 HydrophobicContact CG2-CE1 3.05Å; I141-F145 HydrophobicContact CG2-CE2 4.28Å; I141-F145 HydrophobicContact CG2-CZ 3.18Å; I141-F145 WeakPolarHBondContact O-CZ 3.35Å; S142-F145 VanDerWaalsContact C-CZ 3.45Å; G143-F145 WeakPolarHBondContact O-CD2 3.09Å; G143-F145 WeakPolarHBondContact O-CE2 3.37Å; F145-G147 PolarHBondContact O-N 3.4Å; F145-G147 VanDerWaalsContact O-N 3.12Å; F145-G148 PolarHBondContact O-N 3.19Å; F145-G149 PolarHBondContact O-N 3.12Å
146A52.4Low56.4Low83 Ų8377.9 Ų77.969%0.68649%0.493SS*.THydrogen-bonded Turntrans-54.2119.8177.900000110.3
147G57.2Low55.3Low65 Ų6588.1 Ų88.167%0.6754%0.541SS*.THydrogen-bonded Turntrans84.816.3177.500000116.7F145F145-G147 PolarHBondContact O-N 3.4Å; F145-G147 VanDerWaalsContact O-N 3.12Å
148G57.7Low54.7Low2 Ų291.5 Ų91.52%0.02156%0.561CS.*THydrogen-bonded Turntrans105.313.5176.300000115.4Q119 T123 F145Q119-G148 VanDerWaalsContact NE2-CA 3.34Å; T123-G148 WeakPolarHBondContact CG2-O 3.42Å; F145-G148 PolarHBondContact O-N 3.19Å
149G57.3Low54.4Low17 Ų1792.3 Ų92.318%0.17555%0.55CS..SBendtrans79.1173.6177.700000114.9F145F145-G149 PolarHBondContact O-N 3.12Å
150P56.9Low53.8Low74 Ų7495.1 Ų95.148%0.48156%0.561SS.*  trans-64.1132.3176.221-27.2000111.5F152P150-F152 HydrophobicContact CB-CE2 4.12Å; P150-F152 HydrophobicContact CB-CZ 4.28Å; P150-F152 HydrophobicContact CG-CD2 4.4Å; P150-F152 HydrophobicContact CG-CE2 3.58Å; P150-F152 HydrophobicContact CG-CZ 3.78Å; P150-F152 WeakPolarHBondContact O-CD2 3.19Å; P150-F152 PolarHBondContact O-N 3.04Å
151D53.7Low53.4Low77 Ų7790 Ų9041%0.41254%0.544SS..  trans-78.597.3177.4-163.8-78.4000110.2R126 S153 S154R126-D151 IonicContact CZ-OD2 3.58Å; R126-D151 IonicContact NH1-OD2 3.54Å; R126-D151 IonicContact NH2-OD2 3.97Å; R126-D151 PolarHBondContact NH2-OD2 3.11Å; D151-S153 PolarHBondContact O-N 3.36Å; D151-S153 WeakPolarHBondContact OD1-CB 3.1Å; D151-S153 PolarHBondContact OD1-N 3.2Å; D151-S153 PolarHBondContact OD1-OG 3Å; D151-S154 PolarHBondContact O-OG 3Å
152F51.3Low52.9Low99 Ų9993 Ų9343%0.43457%0.565SS.*G310 helixtrans-78-3.5-179.4-69.8-84.2000113.7F127 P150 S154 L155F127-F152 AromaticContact CD2-CD2 3.93Å; F127-F152 HydrophobicContact CD2-CD2 3.93Å; F127-F152 HydrophobicContact CE2-CB 3.88Å; F127-F152 AromaticContact CE2-CD2 3.38Å; F127-F152 HydrophobicContact CE2-CD2 3.38Å; F127-F152 HydrophobicContact CE2-CE2 4.02Å; F127-F152 AromaticContact CE2-CG 3.76Å; F127-F152 HydrophobicContact CE2-CG 3.76Å; F127-F152 HydrophobicContact CZ-CD2 4.3Å; P150-F152 HydrophobicContact CB-CE2 4.12Å; P150-F152 HydrophobicContact CB-CZ 4.28Å; P150-F152 HydrophobicContact CG-CD2 4.4Å; P150-F152 HydrophobicContact CG-CE2 3.58Å; P150-F152 HydrophobicContact CG-CZ 3.78Å; P150-F152 WeakPolarHBondContact O-CD2 3.19Å; P150-F152 PolarHBondContact O-N 3.04Å; F152-S154 PolarHBondContact O-N 3.38Å; F152-L155 HydrophobicContact CD1-CD1 3.43Å; F152-L155 VanDerWaalsContact CD1-CD1 3.43Å; F152-L155 HydrophobicContact CE1-CD1 3.95Å; F152-L155 HydrophobicContact CG-CD1 4.47Å; F152-L155 PolarHBondContact O-N 2.66Å
153S50.5Low52.8Low77 Ų7791.5 Ų91.554%0.53855%0.549SS..G310 helixtrans-58-21.7175.5-28.70000112.3D151D151-S153 PolarHBondContact O-N 3.36Å; D151-S153 WeakPolarHBondContact OD1-CB 3.1Å; D151-S153 PolarHBondContact OD1-N 3.2Å; D151-S153 PolarHBondContact OD1-OG 3Å
154S46.2Very low52.1Low97 Ų9794.1 Ų94.168%0.67855%0.546SS*.G310 helixtrans-85.2-9179.157.10000114.8D151 F152D151-S154 PolarHBondContact O-OG 3Å; F152-S154 PolarHBondContact O-N 3.38Å
155L46Very low51.7Low131 Ų13190.6 Ų90.669%0.68653%0.531SS*.G310 helixtrans-91.86.5-177.3-88.2156.1000114.3F152F152-L155 HydrophobicContact CD1-CD1 3.43Å; F152-L155 VanDerWaalsContact CD1-CD1 3.43Å; F152-L155 HydrophobicContact CE1-CD1 3.95Å; F152-L155 HydrophobicContact CG-CD1 4.47Å; F152-L155 PolarHBondContact O-N 2.66Å
156Q44Very low51Low180 Ų18096.9 Ų96.984%0.84157%0.57SS**  trans-102.836.6177.4-154.1173.5-21.300113.9
157Q39.1Very low50.9Low261 Ų26198.2 Ų98.2100%1.2256%0.56SS**  trans-1300160.8-84.7-165.22.400112.2

Retrieved 157 of 157 residues in 118.8 ms (Link to these results)

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