TRI26_MOUSE Loading...

Tripartite motif-containing protein 26

E3 ubiquitin-protein ligase which regulates the IFN-beta production and antiviral response downstream of various DNA-encoded pattern-recognition receptors (PRRs). Also plays a central role in determining the response to different forms of oxidative stress by controlling levels of DNA glycosylases NEIL1, NEIL3 and NTH1 that are involved in repair of damaged DNA. Promotes nuclear IRF3 ubiquitination and proteasomal degradation. Bridges together TBK1 and NEMO during the innate response to viral infection leading to the activation of TBK1. Positively regulates LPS-mediated inflammatory innate immune response by catalyzing the 'Lys-11'-linked polyubiquitination of TAB1 to enhance its activation and subsequent NF-kappa-B and MAPK signaling1. In a manner independent of its catalytic activity, inhibits WWP2, a SOX2-directed E3 ubiquitin ligase, and thus protects SOX2 from polyubiquitination and proteasomal degradation. Ubiquitinates the histone acetyltransferase protein complex component PHF20 and thereby triggers its degradation in the nucleus after its recruitment by the histone demethylase KDM6B, serving as a scaffold protein. Upon induction by TGF-beta, ubiquitinates the TFIID component TAF7 for proteasomal degradation (By similarity). Induces ferroptosis by ubiquitinating SLC7A11, a critical protein for lipid reactive oxygen species (ROS) scavenging2.

AlphaFold DB , UniProt , Accession Q99PN3, Species MOUSE (Mus musculus, Mouse), Gene Trim26, Length 545 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low68Low223 Ų22392.8 Ų92.8100%1.09954%0.538SS*.  0-22.50-69.2-83-167.800113.5S4M1-S4 PolarHBondContact O-OG 3.03Å
2A48Very low69.4Low93 Ų9397.6 Ų97.677%0.76955%0.551SS**  trans-82.4-16.9-179.300000115.9
3V51.7Low70.7Confident109 Ų109100.6 Ų100.666%0.66156%0.558SS**SBendtrans-85.3-9.2-174.4-133.30000114
4S60.7Low72.1Confident62 Ų6293.5 Ų93.543%0.43452%0.519SS..Hα-helixtrans-83-23.3-171.257.30000114.5M1 R8M1-S4 PolarHBondContact O-OG 3.03Å; S4-R8 WeakPolarHBondContact O-CB 3.05Å; S4-R8 VanDerWaalsContact O-CG 3.3Å; S4-R8 WeakPolarHBondContact O-CG 3.36Å; S4-R8 PolarHBondContact O-N 3.49Å
5A68.2Low73.3Confident68 Ų6890.7 Ų90.756%0.56251%0.505SS*.Hα-helixtrans-74.7-45.6-178.400000113.2L7 R8 S9A5-L7 PolarHBondContact O-N 2.82Å; A5-R8 PolarHBondContact O-N 3.18Å; A5-S9 PolarHBondContact O-N 3.43Å
6P73.6Confident74.6Confident88 Ų8885 Ų8557%0.57147%0.473SS*.Hα-helixtrans-65.4-39.4178-2133.5000112.9S9 L10P6-S9 PolarHBondContact O-N 2.98Å; P6-L10 PolarHBondContact O-N 3.43Å; P6-L10 VanDerWaalsContact O-N 3.08Å
7L76.6Confident75.6Confident39 Ų3982.9 Ų82.920%0.20447%0.466CS..Hα-helixtrans-63.3-43.9177.2-93.6165.7000111.8A5 S9 L10 E11 L81A5-L7 PolarHBondContact O-N 2.82Å; L7-S9 PolarHBondContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-E11 VanDerWaalsContact O-CG 3.23Å; L7-E11 WeakPolarHBondContact O-CG 3.38Å; L7-E11 PolarHBondContact O-N 2.75Å; L7-L81 HydrophobicContact CD2-CD1 4.34Å
8R77Confident76.5Confident171 Ų17181.8 Ų81.865%0.64546%0.458SS*.Hα-helixtrans-61.6-42.9176.7-78.1-179.3177.4-174.3-0.7112.9S4 A5 L10 E11 E12S4-R8 WeakPolarHBondContact O-CB 3.05Å; S4-R8 VanDerWaalsContact O-CG 3.3Å; S4-R8 WeakPolarHBondContact O-CG 3.36Å; S4-R8 PolarHBondContact O-N 3.49Å; A5-R8 PolarHBondContact O-N 3.18Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 3.47Å; R8-E11 PolarHBondContact O-N 3.1Å; R8-E12 WeakPolarHBondContact O-CG 3.43Å; R8-E12 PolarHBondContact O-N 2.87Å; R8-E12 VanDerWaalsContact O-N 3.1Å
9S79.5Confident77.3Confident65 Ų6580.7 Ų80.746%0.45546%0.455SS..Hα-helixtrans-59.7-40.6175.4-171.20000111.7A5 P6 L7 E13A5-S9 PolarHBondContact O-N 3.43Å; P6-S9 PolarHBondContact O-N 2.98Å; L7-S9 PolarHBondContact O-N 3.09Å; S9-E13 PolarHBondContact O-N 3Å
10L82.1Confident78Confident58 Ų5883.5 Ų83.530%0.30447%0.468SS..Hα-helixtrans-72.2-35.8178.8-168.767.3000112.2P6 L7 R8 E12 E13 V14 I78P6-L10 PolarHBondContact O-N 3.43Å; P6-L10 VanDerWaalsContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 2.91Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 3.47Å; L10-E12 VanDerWaalsContact C-N 3.31Å; L10-E12 PolarHBondContact O-N 3.42Å; L10-E13 PolarHBondContact O-N 3.18Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 2.89Å; L10-I78 HydrophobicContact CD2-CD1 3.83Å; L10-I78 HydrophobicContact CD2-CG1 3.88Å; L10-I78 HydrophobicContact CG-CD1 3.78Å; L10-I78 HydrophobicContact CG-CG1 4.36Å
11E85.3Confident78.6Confident45 Ų4583.7 Ų83.721%0.2147%0.468CS..Hα-helixtrans-60.3-41.2174.5-73.5176.8-157.600111.7L7 R8 E13 V14 T15 Y22 I78 K82L7-E11 VanDerWaalsContact O-CG 3.23Å; L7-E11 WeakPolarHBondContact O-CG 3.38Å; L7-E11 PolarHBondContact O-N 2.75Å; R8-E11 PolarHBondContact O-N 3.1Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.33Å; E11-V14 WeakPolarHBondContact O-CG2 3.48Å; E11-V14 PolarHBondContact O-N 3.04Å; E11-T15 WeakPolarHBondContact O-CB 3.42Å; E11-T15 PolarHBondContact O-N 3.03Å; E11-T15 PolarHBondContact O-OG1 3.26Å; E11-Y22 HydrophobicContact CB-CE1 4.39Å; E11-Y22 HydrophobicContact CG-CE1 4.19Å; E11-Y22 VanDerWaalsContact CG-OH 3.28Å; E11-Y22 WeakPolarHBondContact CG-OH 3.45Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; E11-K82 WeakPolarHBondContact OE1-CE 3.19Å; E11-K82 IonicContact OE1-NZ 3.97Å; E11-K82 PolarHBondContact OE1-NZ 2.95Å; E11-K82 VanDerWaalsContact OE1-NZ 3.07Å; E11-K82 IonicContact OE2-NZ 3.88Å; E11-K82 PolarHBondContact OE2-NZ 3.1Å
12E84.3Confident80.7Confident150 Ų15074.4 Ų74.470%0.70142%0.421SS*.Hα-helixtrans-62.5-37.2176-71.4173.2-168.100112R8 L10 V14 T15R8-E12 WeakPolarHBondContact O-CG 3.43Å; R8-E12 PolarHBondContact O-N 2.87Å; R8-E12 VanDerWaalsContact O-N 3.1Å; L10-E12 VanDerWaalsContact C-N 3.31Å; L10-E12 PolarHBondContact O-N 3.42Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.05Å; E12-T15 PolarHBondContact O-N 2.91Å
13E86.5Confident82.7Confident137 Ų13770.2 Ų70.264%0.6439%0.386SS*.Hα-helixtrans-69.2-27.3178.3-70.9-173.3-169.200113.9S9 L10 E11S9-E13 PolarHBondContact O-N 3Å; L10-E13 PolarHBondContact O-N 3.18Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-E13 PolarHBondContact O-N 3.33Å
14V90Very high84.5Confident1 Ų171.1 Ų71.11%0.00638%0.377CS..THydrogen-bonded Turntrans-103.211.9179.7-61.30000113.7L10 E11 E12 Y22 L23 L74 V75 I78L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 2.89Å; E11-V14 WeakPolarHBondContact O-CG2 3.48Å; E11-V14 PolarHBondContact O-N 3.04Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.05Å; V14-Y22 HydrophobicContact CB-CD1 4.48Å; V14-Y22 HydrophobicContact CG2-CD1 3.53Å; V14-Y22 HydrophobicContact CG2-CE1 3.58Å; V14-Y22 WeakPolarHBondContact O-CA 3.13Å; V14-L23 WeakPolarHBondContact O-CG 3.31Å; V14-L23 PolarHBondContact O-N 3.31Å; V14-L74 HydrophobicContact CG1-CB 4.14Å; V14-V75 HydrophobicContact CB-CG2 3.77Å; V14-V75 HydrophobicContact CG1-CG2 4.33Å; V14-V75 HydrophobicContact CG2-CG2 4.21Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.96Å; V14-I78 HydrophobicContact CG2-CD1 3.42Å; V14-I78 VanDerWaalsContact CG2-CD1 3.42Å
15T90.7Very high86Confident51 Ų5172.1 Ų72.131%0.31338%0.378SS..BIsolated β-bridgetrans-94.4130.4178.1-64.10000110.5E11 E12 S17E11-T15 WeakPolarHBondContact O-CB 3.42Å; E11-T15 PolarHBondContact O-N 3.03Å; E11-T15 PolarHBondContact O-OG1 3.26Å; E12-T15 PolarHBondContact O-N 2.91Å; T15-S17 PolarHBondContact O-N 2.99Å
16C93.7Very high87.1Confident0 Ų069 Ų690%035%0.352CS..  trans-72.2121.8174.1-175.70000110.5I18 C19 L20 D21 L23 C36C16-I18 PolarHBondContact O-N 3.42Å; C16-C19 VanDerWaalsContact CB-SG 3.54Å; C16-L20 WeakPolarHBondContact O-CA 3.35Å; C16-L20 PolarHBondContact O-N 2.86Å; C16-D21 WeakPolarHBondContact CB-O 3.44Å; C16-D21 PolarHBondContact N-O 2.89Å; C16-L23 HydrophobicContact CB-CD2 3.75Å; C16-L23 HydrophobicContact CB-CG 4.42Å; C16-C36 VanDerWaalsContact CB-SG 3.5Å; C16-C36 PolarHBondContact SG-N 2.72Å; C16-C36 VanDerWaalsContact SG-N 3.42Å
17S92.4Very high88.1Confident49 Ų4965 Ų6534%0.34333%0.326SS..THydrogen-bonded Turntrans-72.44.8179.181.60000114.9T15 F35 L55T15-S17 PolarHBondContact O-N 2.99Å; S17-F35 VanDerWaalsContact OG-CE1 3.3Å; S17-F35 WeakPolarHBondContact OG-CE1 3.46Å; S17-L55 WeakPolarHBondContact OG-CD2 3.37Å; S17-L55 WeakPolarHBondContact OG-CG 3.41Å
18I91Very high89Confident64 Ų6464.8 Ų64.833%0.32833%0.326SS..THydrogen-bonded Turntrans-102-55.7175.7-61.4168000110.2C16 F35 C39 I43 P54C16-I18 PolarHBondContact O-N 3.42Å; I18-F35 HydrophobicContact CD1-CB 3.97Å; I18-F35 HydrophobicContact CD1-CD1 3.39Å; I18-F35 HydrophobicContact CD1-CE1 3.98Å; I18-F35 HydrophobicContact CD1-CG 3.73Å; I18-F35 HydrophobicContact CG1-CD1 3.61Å; I18-F35 HydrophobicContact CG1-CE1 4.01Å; I18-F35 HydrophobicContact CG1-CG 4.43Å; I18-C39 HydrophobicContact CB-CB 3.77Å; I18-C39 HydrophobicContact CD1-CB 3.66Å; I18-C39 HydrophobicContact CG1-CB 4.31Å; I18-C39 HydrophobicContact CG2-CB 3.74Å; I18-I43 HydrophobicContact CD1-CD1 4.19Å; I18-P54 HydrophobicContact CD1-CG 3.92Å; I18-P54 HydrophobicContact CG1-CB 4.44Å; I18-P54 HydrophobicContact CG1-CG 4.1Å
19C92.2Very high89.7Confident60 Ų6056.9 Ų56.941%0.40530%0.297SS..THydrogen-bonded Turntrans-88.9-9.5178.6660000114C16 D21C16-C19 VanDerWaalsContact CB-SG 3.54Å; C19-D21 PolarHBondContact O-N 3.47Å
20L90.9Very high90.4Very high137 Ų13757.5 Ų57.572%0.71730%0.295SS*.SBendtrans58.129.1-178.1-50178.1000113.2C16C16-L20 WeakPolarHBondContact O-CA 3.35Å; C16-L20 PolarHBondContact O-N 2.86Å
21D90.3Very high90.9Very high87 Ų8756.3 Ų56.347%0.46529%0.291SS..SBendtrans-126.3168.1178.3-162.3-2000108.9C16 C19C16-D21 WeakPolarHBondContact CB-O 3.44Å; C16-D21 PolarHBondContact N-O 2.89Å; C19-D21 PolarHBondContact O-N 3.47Å
22Y89.9Confident91.3Very high28 Ų2856.5 Ų56.511%0.1131%0.305CS..BIsolated β-bridgetrans-53.1141.7174.6-73-60.2000111.9E11 V14 R24 V75 I78 K82E11-Y22 HydrophobicContact CB-CE1 4.39Å; E11-Y22 HydrophobicContact CG-CE1 4.19Å; E11-Y22 VanDerWaalsContact CG-OH 3.28Å; E11-Y22 WeakPolarHBondContact CG-OH 3.45Å; V14-Y22 HydrophobicContact CB-CD1 4.48Å; V14-Y22 HydrophobicContact CG2-CD1 3.53Å; V14-Y22 HydrophobicContact CG2-CE1 3.58Å; V14-Y22 WeakPolarHBondContact O-CA 3.13Å; Y22-R24 PolarHBondContact O-N 3.33Å; Y22-V75 HydrophobicContact CD1-CG1 4.43Å; Y22-V75 HydrophobicContact CD1-CG2 4.43Å; Y22-V75 HydrophobicContact CG-CG1 4.12Å; Y22-I78 HydrophobicContact CE1-CG2 4.08Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.44Å; Y22-K82 WeakPolarHBondContact OH-CE 3.33Å; Y22-K82 PolarHBondContact OH-NZ 3.38Å
23L90.2Very high91.8Very high6 Ų652.3 Ų52.33%0.03129%0.286CS..  trans-58.5108.5-180-73.2164.2000111.5V14 C16 P26 V34 F35 L71 V75V14-L23 WeakPolarHBondContact O-CG 3.31Å; V14-L23 PolarHBondContact O-N 3.31Å; C16-L23 HydrophobicContact CB-CD2 3.75Å; C16-L23 HydrophobicContact CB-CG 4.42Å; L23-P26 HydrophobicContact CB-CB 4Å; L23-P26 HydrophobicContact CB-CG 4.47Å; L23-P26 HydrophobicContact CD1-CB 4.27Å; L23-P26 HydrophobicContact CD2-CB 4.5Å; L23-P26 HydrophobicContact CG-CB 4.5Å; L23-V34 HydrophobicContact CD1-CG1 3.97Å; L23-V34 HydrophobicContact CD2-CG1 4.11Å; L23-F35 VanDerWaalsContact CD2-C 3.45Å; L23-L71 HydrophobicContact CD1-CD1 4.17Å; L23-V75 HydrophobicContact CB-CG2 4.25Å
24R90.5Very high92.1Very high127 Ų12747.6 Ų47.648%0.47927%0.266SS..SBendtrans-94.7118.8170.1-62.9-65.2-177.2-160.6-9.3109.1Y22 C36 E79Y22-R24 PolarHBondContact O-N 3.33Å; R24-C36 PolarHBondContact N-SG 3.45Å; R24-C36 VanDerWaalsContact O-CA 3.28Å; R24-C36 WeakPolarHBondContact O-CA 3.46Å; R24-C36 VanDerWaalsContact O-CB 3.25Å; R24-C36 WeakPolarHBondContact O-CB 3.48Å; R24-E79 IonicContact CZ-OE1 2.81Å; R24-E79 IonicContact NH1-OE1 3.08Å; R24-E79 PolarHBondContact NH1-OE1 3.46Å; R24-E79 VanDerWaalsContact NH1-OE1 3.14Å; R24-E79 IonicContact NH1-OE2 3.48Å; R24-E79 IonicContact NH2-OE1 2.87Å; R24-E79 PolarHBondContact NH2-OE1 3.33Å
25D90.3Very high92.3Very high84 Ų8447.5 Ų47.545%0.44927%0.265SS..SBendtrans52.164.7-173.3-16715.3000111.2V27 R37D25-V27 PolarHBondContact O-N 3.03Å; D25-R37 HydrophobicContact CB-CB 3.99Å; D25-R37 WeakPolarHBondContact O-CB 3.47Å; D25-R37 PolarHBondContact O-N 3.02Å; D25-R37 WeakPolarHBondContact OD2-CB 3.4Å; D25-R37 WeakPolarHBondContact OD2-CD 3.48Å
26P93Very high92.5Very high3 Ų345.2 Ų45.22%0.01925%0.251CS..EExtended strand (participates in β ladder)trans-59.3126.5-176.319.2-29.7000111.6L23 V34 V68 L71 A72L23-P26 HydrophobicContact CB-CB 4Å; L23-P26 HydrophobicContact CB-CG 4.47Å; L23-P26 HydrophobicContact CD1-CB 4.27Å; L23-P26 HydrophobicContact CD2-CB 4.5Å; L23-P26 HydrophobicContact CG-CB 4.5Å; P26-V34 HydrophobicContact CB-CG1 3.76Å; P26-V68 VanDerWaalsContact CG-O 3.3Å; P26-V68 WeakPolarHBondContact CG-O 3.4Å; P26-V68 PolarHBondContact O-N 3.33Å; P26-L71 HydrophobicContact CB-CB 4.02Å; P26-L71 HydrophobicContact CB-CD1 4.48Å; P26-L71 HydrophobicContact CG-CB 3.91Å; P26-A72 HydrophobicContact CG-CB 3.88Å
27V94.3Very high92.5Very high4 Ų452.2 Ų52.22%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-126.4140.2174.5-63.80000110.8D25 V34 F35 R37 T40 I65 R66D25-V27 PolarHBondContact O-N 3.03Å; V27-V34 WeakPolarHBondContact O-CA 3.37Å; V27-V34 WeakPolarHBondContact O-CG1 3.36Å; V27-F35 WeakPolarHBondContact CG2-O 3.45Å; V27-F35 PolarHBondContact N-O 2.81Å; V27-F35 PolarHBondContact O-N 3.05Å; V27-R37 HydrophobicContact CG1-CB 3.97Å; V27-R37 HydrophobicContact CG1-CG 4.15Å; V27-R37 HydrophobicContact CG2-CB 4.37Å; V27-T40 HydrophobicContact CG2-CG2 3.6Å; V27-I65 HydrophobicContact CB-CG2 3.46Å; V27-I65 VanDerWaalsContact CB-CG2 3.46Å; V27-I65 HydrophobicContact CG1-CG2 3.79Å; V27-I65 HydrophobicContact CG2-CG2 3.59Å; V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.3Å
28T94.8Very high92.5Very high34 Ų3453.2 Ų53.221%0.20929%0.285CS..EExtended strand (participates in β ladder)trans-92.1147.4169.9-174.40000110.5I65 R66 V68T28-I65 WeakPolarHBondContact O-CA 3.34Å; T28-R66 HydrophobicContact CG2-CB 3.92Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.36Å; T28-R66 VanDerWaalsContact O-N 3.1Å; T28-V68 HydrophobicContact CG2-CG2 3.84Å
29I92.8Very high92.6Very high5 Ų550.7 Ų50.73%0.02627%0.273CS..  trans-108.4177.1170.160.6168.2000110.7C31 G32 H33 F35 T40 C53 F60 I65I29-C31 VanDerWaalsContact CD1-SG 3.58Å; I29-C31 PolarHBondContact O-N 3.32Å; I29-G32 PolarHBondContact O-N 3.15Å; I29-H33 WeakPolarHBondContact CG1-O 3.5Å; I29-H33 PolarHBondContact N-O 3.09Å; I29-F35 HydrophobicContact CD1-CD2 4.42Å; I29-F35 HydrophobicContact CD1-CE2 3.7Å; I29-F35 HydrophobicContact CG1-CE2 4.07Å; I29-T40 HydrophobicContact CG2-CG2 4.11Å; I29-C53 HydrophobicContact CD1-CB 3.6Å; I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD2 3.92Å; I29-F60 HydrophobicContact CB-CE2 4.43Å; I29-F60 HydrophobicContact CB-CG 3.99Å; I29-F60 HydrophobicContact CD1-CB 4.49Å; I29-F60 HydrophobicContact CD1-CD1 3.75Å; I29-F60 HydrophobicContact CD1-CE1 4.06Å; I29-F60 HydrophobicContact CD1-CG 4.04Å; I29-F60 HydrophobicContact CG2-CD2 3.78Å; I29-F60 HydrophobicContact CG2-CE2 3.81Å; I29-F60 HydrophobicContact CG2-CG 4.26Å; I29-F60 HydrophobicContact CG2-CZ 4.29Å; I29-I65 HydrophobicContact CG2-CG1 4.28Å
30D92.9Very high92.5Very high77 Ų7747.9 Ų47.941%0.41225%0.254SS..THydrogen-bonded Turntrans-51.4-29.6-173.9-73.4-37.5000115.5F60 K61 N64D30-F60 HydrophobicContact CB-CB 3.81Å; D30-F60 WeakPolarHBondContact OD2-CA 3.42Å; D30-F60 WeakPolarHBondContact OD2-CB 3.4Å; D30-K61 PolarHBondContact OD2-N 2.97Å; D30-N64 WeakPolarHBondContact OD1-CB 3.36Å; D30-N64 VanDerWaalsContact OD1-CG 3.29Å; D30-N64 PolarHBondContact OD1-ND2 3.04Å
31C93.8Very high92.3Very high33 Ų3344.4 Ų44.422%0.22324%0.241CC..THydrogen-bonded Turntrans-88.2-0.8-179.466.40000114.6I29 H33 C53 K58I29-C31 VanDerWaalsContact CD1-SG 3.58Å; I29-C31 PolarHBondContact O-N 3.32Å; C31-H33 PolarHBondContact SG-ND1 3.2Å; C31-C53 PolarHBondContact SG-SG 3.33Å; C31-K58 HydrophobicContact CB-CB 4.09Å; C31-K58 HydrophobicContact CB-CD 3.95Å
32G92.5Very high92Very high49 Ų4946.3 Ų46.351%0.50525%0.251SS..SBendtrans86.9-7.7-179.800000115.7I29I29-G32 PolarHBondContact O-N 3.15Å
33H94.5Very high91.8Very high63 Ų6346.1 Ų46.129%0.29225%0.252SS..  trans-71.2142.6174-67.5103.3000111.3I29 C31 F35 L55I29-H33 WeakPolarHBondContact CG1-O 3.5Å; I29-H33 PolarHBondContact N-O 3.09Å; C31-H33 PolarHBondContact SG-ND1 3.2Å; H33-F35 HydrophobicContact CB-CE2 3.62Å; H33-F35 HydrophobicContact CB-CZ 3.72Å; H33-L55 HydrophobicContact CB-CD1 4.05Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.37Å
34V94.1Very high91.2Very high37 Ų3756.3 Ų56.322%0.22429%0.29CS..EExtended strand (participates in β ladder)trans-109.3137.2-175.9-173.30000110.9L23 P26 V27 L71L23-V34 HydrophobicContact CD1-CG1 3.97Å; L23-V34 HydrophobicContact CD2-CG1 4.11Å; P26-V34 HydrophobicContact CB-CG1 3.76Å; V27-V34 WeakPolarHBondContact O-CA 3.37Å; V27-V34 WeakPolarHBondContact O-CG1 3.36Å; V34-L71 HydrophobicContact CB-CD1 4.07Å; V34-L71 HydrophobicContact CG1-CD1 3.66Å; V34-L71 HydrophobicContact CG2-CD1 3.85Å
35F94.5Very high90.3Very high0 Ų053.2 Ų53.20%029%0.286CS..EExtended strand (participates in β ladder)trans-142.1170.3176.8-48.8-87.6000110.6S17 I18 L23 V27 I29 H33 T40 P54 L55S17-F35 VanDerWaalsContact OG-CE1 3.3Å; S17-F35 WeakPolarHBondContact OG-CE1 3.46Å; I18-F35 HydrophobicContact CD1-CB 3.97Å; I18-F35 HydrophobicContact CD1-CD1 3.39Å; I18-F35 HydrophobicContact CD1-CE1 3.98Å; I18-F35 HydrophobicContact CD1-CG 3.73Å; I18-F35 HydrophobicContact CG1-CD1 3.61Å; I18-F35 HydrophobicContact CG1-CE1 4.01Å; I18-F35 HydrophobicContact CG1-CG 4.43Å; L23-F35 VanDerWaalsContact CD2-C 3.45Å; V27-F35 WeakPolarHBondContact CG2-O 3.45Å; V27-F35 PolarHBondContact N-O 2.81Å; V27-F35 PolarHBondContact O-N 3.05Å; I29-F35 HydrophobicContact CD1-CD2 4.42Å; I29-F35 HydrophobicContact CD1-CE2 3.7Å; I29-F35 HydrophobicContact CG1-CE2 4.07Å; H33-F35 HydrophobicContact CB-CE2 3.62Å; H33-F35 HydrophobicContact CB-CZ 3.72Å; F35-T40 HydrophobicContact CB-CG2 3.72Å; F35-T40 HydrophobicContact CD2-CG2 4Å; F35-T40 HydrophobicContact CG-CG2 4.24Å; F35-P54 HydrophobicContact CE1-CB 4.47Å; F35-P54 HydrophobicContact CE1-CG 4.38Å; F35-P54 HydrophobicContact CZ-CG 4.41Å; F35-L55 HydrophobicContact CE1-CD1 3.92Å; F35-L55 HydrophobicContact CE1-CG 4.06Å; F35-L55 HydrophobicContact CZ-CD1 3.89Å; F35-L55 HydrophobicContact CZ-CG 4.06Å
36C93.8Very high88.9Confident2 Ų256.4 Ų56.41%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-64.1144.2168.6-55.80000110.3C16 R24 S38 C39 T40C16-C36 VanDerWaalsContact CB-SG 3.5Å; C16-C36 PolarHBondContact SG-N 2.72Å; C16-C36 VanDerWaalsContact SG-N 3.42Å; R24-C36 PolarHBondContact N-SG 3.45Å; R24-C36 VanDerWaalsContact O-CA 3.28Å; R24-C36 WeakPolarHBondContact O-CA 3.46Å; R24-C36 VanDerWaalsContact O-CB 3.25Å; R24-C36 WeakPolarHBondContact O-CB 3.48Å; C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 3.37Å; C36-C39 HydrophobicContact CB-CB 4.01Å; C36-C39 WeakPolarHBondContact O-CB 3.44Å; C36-C39 PolarHBondContact O-N 2.82Å; C36-C39 VanDerWaalsContact O-N 3.08Å; C36-T40 PolarHBondContact O-N 3.24Å
37R93.3Very high87.2Confident147 Ų14761.3 Ų61.356%0.55534%0.336SS*.Hα-helixtrans-57.4-40.2177-170.5175-178-1400.4113D25 V27 T40 S41D25-R37 HydrophobicContact CB-CB 3.99Å; D25-R37 WeakPolarHBondContact O-CB 3.47Å; D25-R37 PolarHBondContact O-N 3.02Å; D25-R37 WeakPolarHBondContact OD2-CB 3.4Å; D25-R37 WeakPolarHBondContact OD2-CD 3.48Å; V27-R37 HydrophobicContact CG1-CB 3.97Å; V27-R37 HydrophobicContact CG1-CG 4.15Å; V27-R37 HydrophobicContact CG2-CB 4.37Å; R37-T40 PolarHBondContact O-N 3.07Å; R37-T40 PolarHBondContact O-OG1 2.82Å; R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 VanDerWaalsContact O-N 3.15Å; R37-S41 PolarHBondContact O-OG 3.22Å
38S92.9Very high85.7Confident70 Ų7065 Ų6549%0.4938%0.375SS..Hα-helixtrans-59.1-50.5172.850.50000111.3C36 T40 S41 D42C36-S38 VanDerWaalsContact C-N 3.28Å; C36-S38 PolarHBondContact O-N 3.37Å; S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.17Å; S38-S41 WeakPolarHBondContact O-CB 3.23Å; S38-S41 PolarHBondContact O-N 3.37Å; S38-D42 PolarHBondContact O-N 2.87Å
39C93Very high84.5Confident12 Ų1269.2 Ų69.28%0.08140%0.396CS..Hα-helixtrans-61.1-37.6179.6-63.90000113.4I18 C36 S41 I43I18-C39 HydrophobicContact CB-CB 3.77Å; I18-C39 HydrophobicContact CD1-CB 3.66Å; I18-C39 HydrophobicContact CG1-CB 4.31Å; I18-C39 HydrophobicContact CG2-CB 3.74Å; C36-C39 HydrophobicContact CB-CB 4.01Å; C36-C39 WeakPolarHBondContact O-CB 3.44Å; C36-C39 PolarHBondContact O-N 2.82Å; C36-C39 VanDerWaalsContact O-N 3.08Å; C39-S41 VanDerWaalsContact C-N 3.31Å; C39-I43 WeakPolarHBondContact O-CG1 3.21Å
40T90.4Very high84Confident0 Ų076.2 Ų76.20%042%0.422CS..Hα-helixtrans-68.6-29.5173.756.80000113.4V27 I29 F35 C36 R37 S38 I43V27-T40 HydrophobicContact CG2-CG2 3.6Å; I29-T40 HydrophobicContact CG2-CG2 4.11Å; F35-T40 HydrophobicContact CB-CG2 3.72Å; F35-T40 HydrophobicContact CD2-CG2 4Å; F35-T40 HydrophobicContact CG-CG2 4.24Å; C36-T40 PolarHBondContact O-N 3.24Å; R37-T40 PolarHBondContact O-N 3.07Å; R37-T40 PolarHBondContact O-OG1 2.82Å; S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.17Å; T40-I43 PolarHBondContact O-N 3.48Å
41S86.4Confident83.8Confident64 Ų6473.2 Ų73.245%0.44841%0.407SS..Hα-helixtrans-71.1-35.3-179.7-60.90000111.9R37 S38 C39 I43 K62R37-S41 PolarHBondContact O-N 3.26Å; R37-S41 VanDerWaalsContact O-N 3.15Å; R37-S41 PolarHBondContact O-OG 3.22Å; S38-S41 WeakPolarHBondContact O-CB 3.23Å; S38-S41 PolarHBondContact O-N 3.37Å; C39-S41 VanDerWaalsContact C-N 3.31Å; S41-I43 VanDerWaalsContact C-N 3.25Å; S41-I43 PolarHBondContact O-N 3Å; S41-K62 PolarHBondContact O-NZ 3.48Å
42D85.5Confident83.7Confident128 Ų12875 Ų7568%0.68442%0.417SS*.THydrogen-bonded Turntrans-75.3-8.7179.8-67.3-28000114S38 R44S38-D42 PolarHBondContact O-N 2.87Å; D42-R44 PolarHBondContact O-N 3.49Å
43I84.7Confident83.7Confident24 Ų2472.7 Ų72.712%0.12339%0.393CS..  trans-68.6100.2174.2-58171.9000108.9I18 C39 T40 S41 P51 P54 F60I18-I43 HydrophobicContact CD1-CD1 4.19Å; C39-I43 WeakPolarHBondContact O-CG1 3.21Å; T40-I43 PolarHBondContact O-N 3.48Å; S41-I43 VanDerWaalsContact C-N 3.25Å; S41-I43 PolarHBondContact O-N 3Å; I43-P51 HydrophobicContact CG2-CB 3.74Å; I43-P54 HydrophobicContact CD1-CG 3.87Å; I43-P54 HydrophobicContact CG1-CG 4.47Å; I43-F60 HydrophobicContact CB-CZ 4.46Å; I43-F60 HydrophobicContact CD1-CE1 4.12Å; I43-F60 HydrophobicContact CD1-CZ 3.86Å; I43-F60 HydrophobicContact CG2-CE1 4.36Å; I43-F60 HydrophobicContact CG2-CZ 4.36Å
44R77.4Confident83.5Confident220 Ų22071.8 Ų71.883%0.8339%0.393SS*.  trans-85.3133.1174.4-67.7-171.2-175.8-170.72110.9D42D42-R44 PolarHBondContact O-N 3.49Å
45P71.4Confident83.3Confident61 Ų6174.1 Ų74.140%0.39640%0.404SS..  trans-69.8136.7169.427.6-30.9000110.9S47 N49P45-S47 PolarHBondContact O-N 3.04Å; P45-N49 WeakPolarHBondContact CB-O 3.38Å
46I61Low83.3Confident151 Ų15176.3 Ų76.377%0.77442%0.418SS*.SBendtrans-76.5106169.8-57.6170.1000106.4
47S57Low83.1Confident106 Ų10683 Ų8374%0.74145%0.447SS*.THydrogen-bonded Turntrans52.782.9171.9-57.10000115.7P45 N49P45-S47 PolarHBondContact O-N 3.04Å; S47-N49 PolarHBondContact O-N 3.02Å
48G63.2Low83Confident83 Ų8382.2 Ų82.286%0.85645%0.448SS*.THydrogen-bonded Turntrans70.4-4.116500000117.1
49N70.8Confident82.9Confident122 Ų12283 Ų8365%0.65245%0.451SS*.SBendtrans-89.4170.2-179.7-76.2-31.7000113P45 S47P45-N49 WeakPolarHBondContact CB-O 3.38Å; S47-N49 PolarHBondContact O-N 3.02Å
50R81.9Confident82.8Confident151 Ų15182.4 Ų82.457%0.5745%0.447SS*.PPolyproline II helixtrans-68.5145.2172.6-68.4-173.4-171.1-1747110.6P59R50-P59 HydrophobicContact CB-CB 4.14Å
51P87.2Confident82.8Confident14 Ų1486.1 Ų86.19%0.09146%0.463CS..PPolyproline II helixtrans-61.1147.2172.528.2-34.5000110.2I43 P59 F60 K62I43-P51 HydrophobicContact CG2-CB 3.74Å; P51-P59 CarbonylContact O-C 3.51Å; P51-P59 WeakPolarHBondContact O-CA 3.36Å; P51-F60 HydrophobicContact CB-CD1 4.35Å; P51-F60 HydrophobicContact CB-CE1 3.71Å; P51-F60 HydrophobicContact CB-CE2 4.39Å; P51-F60 HydrophobicContact CB-CZ 3.72Å; P51-F60 WeakPolarHBondContact CD-O 3.34Å; P51-F60 HydrophobicContact CG-CD1 4.32Å; P51-F60 HydrophobicContact CG-CD2 4.28Å; P51-F60 HydrophobicContact CG-CE1 4Å; P51-F60 HydrophobicContact CG-CE2 3.94Å; P51-F60 HydrophobicContact CG-CG 4.46Å; P51-F60 HydrophobicContact CG-CZ 3.78Å; P51-F60 WeakPolarHBondContact CG-O 3.31Å; P51-F60 VanDerWaalsContact O-CD1 3.29Å; P51-F60 WeakPolarHBondContact O-CD1 3.45Å; P51-F60 PolarHBondContact O-N 2.96Å; P51-K62 HydrophobicContact CG-CG 4.42Å
52V91.6Very high82.8Confident71 Ų7188.6 Ų88.643%0.4347%0.466SS..BIsolated β-bridgetrans-111.6143.4-178.5-68.50000110.6P54 P59V52-P54 WeakPolarHBondContact O-CD 2.95Å; V52-P59 HydrophobicContact CG1-CB 4.48Å
53C92.7Very high82.8Confident0 Ų089.5 Ų89.50%047%0.466CS..  trans-58.8129.1174.7175.40000110.5I29 C31 L55 C56 K57 K58I29-C53 HydrophobicContact CD1-CB 3.6Å; C31-C53 PolarHBondContact SG-SG 3.33Å; C53-L55 PolarHBondContact O-N 3.29Å; C53-L55 PolarHBondContact SG-N 2.99Å; C53-L55 VanDerWaalsContact SG-N 3.4Å; C53-C56 VanDerWaalsContact SG-SG 3.65Å; C53-K57 WeakPolarHBondContact O-CA 3.46Å; C53-K57 PolarHBondContact O-N 3.41Å; C53-K58 PolarHBondContact N-O 3.39Å
54P90.2Very high83Confident44 Ų4490.9 Ų90.929%0.28647%0.474SS..THydrogen-bonded Turntrans-60.4-31.1177.4-28.738.2000114.3I18 F35 I43 V52 K57I18-P54 HydrophobicContact CD1-CG 3.92Å; I18-P54 HydrophobicContact CG1-CB 4.44Å; I18-P54 HydrophobicContact CG1-CG 4.1Å; F35-P54 HydrophobicContact CE1-CB 4.47Å; F35-P54 HydrophobicContact CE1-CG 4.38Å; F35-P54 HydrophobicContact CZ-CG 4.41Å; I43-P54 HydrophobicContact CD1-CG 3.87Å; I43-P54 HydrophobicContact CG1-CG 4.47Å; V52-P54 WeakPolarHBondContact O-CD 2.95Å; P54-K57 PolarHBondContact O-NZ 2.77Å
55L91.2Very high83.7Confident87 Ų8782.1 Ų82.146%0.45544%0.443SS..THydrogen-bonded Turntrans-83-59.2-177.5-69.3173000112.7S17 H33 F35 C53S17-L55 WeakPolarHBondContact OG-CD2 3.37Å; S17-L55 WeakPolarHBondContact OG-CG 3.41Å; H33-L55 HydrophobicContact CB-CD1 4.05Å; H33-L55 WeakPolarHBondContact CD2-CD1 3.37Å; F35-L55 HydrophobicContact CE1-CD1 3.92Å; F35-L55 HydrophobicContact CE1-CG 4.06Å; F35-L55 HydrophobicContact CZ-CD1 3.89Å; F35-L55 HydrophobicContact CZ-CG 4.06Å; C53-L55 PolarHBondContact O-N 3.29Å; C53-L55 PolarHBondContact SG-N 2.99Å; C53-L55 VanDerWaalsContact SG-N 3.4Å
56C93.5Very high84.8Confident46 Ų4685.9 Ų85.931%0.31145%0.449SS..THydrogen-bonded Turntrans-103.90.4-174.170.10000115.2C53 K58C53-C56 VanDerWaalsContact SG-SG 3.65Å; C56-K58 PolarHBondContact O-N 2.99Å
57K90.8Very high86.2Confident143 Ų14383 Ų8362%0.62244%0.44SS*.  trans61.37.2-179.9-46.7-54.3-174.9-166.40115.7C53 P54C53-K57 WeakPolarHBondContact O-CA 3.46Å; C53-K57 PolarHBondContact O-N 3.41Å; P54-K57 PolarHBondContact O-NZ 2.77Å
58K91.3Very high87.8Confident130 Ų13079.3 Ų79.357%0.56541%0.414SS*.  trans-67.4135.8174.1-68.4-179.3-179.3177.80110.8C31 C53 C56C31-K58 HydrophobicContact CB-CB 4.09Å; C31-K58 HydrophobicContact CB-CD 3.95Å; C53-K58 PolarHBondContact N-O 3.39Å; C56-K58 PolarHBondContact O-N 2.99Å
59P90.3Very high88.9Confident85 Ų8584.2 Ų84.255%0.55241%0.406SS*.BIsolated β-bridgetrans-67.7143.7176.227.9-33.3000110.9R50 P51 V52R50-P59 HydrophobicContact CB-CB 4.14Å; P51-P59 CarbonylContact O-C 3.51Å; P51-P59 WeakPolarHBondContact O-CA 3.36Å; V52-P59 HydrophobicContact CG1-CB 4.48Å
60F90.7Very high89.6Confident1 Ų182.9 Ų82.90%0.00440%0.396CS..  trans-135.4161.3176.172.1-84.3000112I29 D30 I43 P51 I65I29-F60 HydrophobicContact CB-CB 4.23Å; I29-F60 HydrophobicContact CB-CD2 3.92Å; I29-F60 HydrophobicContact CB-CE2 4.43Å; I29-F60 HydrophobicContact CB-CG 3.99Å; I29-F60 HydrophobicContact CD1-CB 4.49Å; I29-F60 HydrophobicContact CD1-CD1 3.75Å; I29-F60 HydrophobicContact CD1-CE1 4.06Å; I29-F60 HydrophobicContact CD1-CG 4.04Å; I29-F60 HydrophobicContact CG2-CD2 3.78Å; I29-F60 HydrophobicContact CG2-CE2 3.81Å; I29-F60 HydrophobicContact CG2-CG 4.26Å; I29-F60 HydrophobicContact CG2-CZ 4.29Å; D30-F60 HydrophobicContact CB-CB 3.81Å; D30-F60 WeakPolarHBondContact OD2-CA 3.42Å; D30-F60 WeakPolarHBondContact OD2-CB 3.4Å; I43-F60 HydrophobicContact CB-CZ 4.46Å; I43-F60 HydrophobicContact CD1-CE1 4.12Å; I43-F60 HydrophobicContact CD1-CZ 3.86Å; I43-F60 HydrophobicContact CG2-CE1 4.36Å; I43-F60 HydrophobicContact CG2-CZ 4.36Å; P51-F60 HydrophobicContact CB-CD1 4.35Å; P51-F60 HydrophobicContact CB-CE1 3.71Å; P51-F60 HydrophobicContact CB-CE2 4.39Å; P51-F60 HydrophobicContact CB-CZ 3.72Å; P51-F60 WeakPolarHBondContact CD-O 3.34Å; P51-F60 HydrophobicContact CG-CD1 4.32Å; P51-F60 HydrophobicContact CG-CD2 4.28Å; P51-F60 HydrophobicContact CG-CE1 4Å; P51-F60 HydrophobicContact CG-CE2 3.94Å; P51-F60 HydrophobicContact CG-CG 4.46Å; P51-F60 HydrophobicContact CG-CZ 3.78Å; P51-F60 WeakPolarHBondContact CG-O 3.31Å; P51-F60 VanDerWaalsContact O-CD1 3.29Å; P51-F60 WeakPolarHBondContact O-CD1 3.45Å; P51-F60 PolarHBondContact O-N 2.96Å; F60-I65 HydrophobicContact CE2-CD1 4.35Å; F60-I65 HydrophobicContact CE2-CG1 4.48Å
61K89.3Confident90Very high78 Ų7877.4 Ų77.434%0.33938%0.378SS..  trans-98.4139.2173.1-56-170.3-168.4176.70110.9D30 E63 N64D30-K61 PolarHBondContact OD2-N 2.97Å; K61-E63 PolarHBondContact O-N 2.88Å; K61-N64 HydrophobicContact CB-CB 4.41Å; K61-N64 PolarHBondContact O-N 3.36Å; K61-N64 VanDerWaalsContact O-N 3.11Å
62K86.3Confident89.8Confident116 Ų11678.3 Ų78.350%0.50439%0.386SS..G310 helixtrans-60.5-27.6173.3-72.2-164.6172.7-1650112.8S41 P51 N64 I65S41-K62 PolarHBondContact O-NZ 3.48Å; P51-K62 HydrophobicContact CG-CG 4.42Å; K62-N64 VanDerWaalsContact C-N 3.29Å; K62-N64 PolarHBondContact O-N 2.79Å; K62-I65 HydrophobicContact CB-CD1 4.47Å; K62-I65 VanDerWaalsContact O-CG1 3.31Å; K62-I65 WeakPolarHBondContact O-CG1 3.4Å
63E86.5Confident89.4Confident147 Ų14777.4 Ų77.469%0.68738%0.383SS*.G310 helixtrans-68.5-23.5176.7-64.9156.6-162.900113.9K61 R66K61-E63 PolarHBondContact O-N 2.88Å; E63-R66 PolarHBondContact O-NH1 3.4Å
64N89.8Confident89.1Confident53 Ų5380.7 Ų80.728%0.28340%0.4SS..G310 helixtrans-95.57.8-176.4-70.2-9.2000113D30 K61 K62 R66D30-N64 WeakPolarHBondContact OD1-CB 3.36Å; D30-N64 VanDerWaalsContact OD1-CG 3.29Å; D30-N64 PolarHBondContact OD1-ND2 3.04Å; K61-N64 HydrophobicContact CB-CB 4.41Å; K61-N64 PolarHBondContact O-N 3.36Å; K61-N64 VanDerWaalsContact O-N 3.11Å; K62-N64 VanDerWaalsContact C-N 3.29Å; K62-N64 PolarHBondContact O-N 2.79Å; N64-R66 PolarHBondContact O-N 2.98Å
65I91.8Very high89Confident36 Ų3678.8 Ų78.819%0.18539%0.388CS..  trans-67126.1172.3-60.6176.8000107.8V27 T28 I29 F60 K62V27-I65 HydrophobicContact CB-CG2 3.46Å; V27-I65 VanDerWaalsContact CB-CG2 3.46Å; V27-I65 HydrophobicContact CG1-CG2 3.79Å; V27-I65 HydrophobicContact CG2-CG2 3.59Å; T28-I65 WeakPolarHBondContact O-CA 3.34Å; I29-I65 HydrophobicContact CG2-CG1 4.28Å; F60-I65 HydrophobicContact CE2-CD1 4.35Å; F60-I65 HydrophobicContact CE2-CG1 4.48Å; K62-I65 HydrophobicContact CB-CD1 4.47Å; K62-I65 VanDerWaalsContact O-CG1 3.31Å; K62-I65 WeakPolarHBondContact O-CG1 3.4Å
66R93Very high88.6Confident139 Ų13979.3 Ų79.353%0.52539%0.388SS..EExtended strand (participates in β ladder)trans-127.7134.5-179-64.9-72.2-178.6-91.4-0.7110.1V27 T28 E63 N64V27-R66 CarbonylContact C-O 3.55Å; V27-R66 WeakPolarHBondContact CA-O 3.3Å; T28-R66 HydrophobicContact CG2-CB 3.92Å; T28-R66 PolarHBondContact N-O 3.39Å; T28-R66 PolarHBondContact O-N 3.36Å; T28-R66 VanDerWaalsContact O-N 3.1Å; E63-R66 PolarHBondContact O-NH1 3.4Å; N64-R66 PolarHBondContact O-N 2.98Å
67P92.1Very high88.1Confident90 Ų9080.4 Ų80.458%0.58439%0.391SS*.EExtended strand (participates in β ladder)trans-67.6144.2175.928.4-33.7000111.6
68V89.8Confident87.7Confident30 Ų3073.7 Ų73.718%0.18236%0.362CS..  trans-121.177.2178.1-171.50000109P26 T28 Q70 L71P26-V68 VanDerWaalsContact CG-O 3.3Å; P26-V68 WeakPolarHBondContact CG-O 3.4Å; P26-V68 PolarHBondContact O-N 3.33Å; T28-V68 HydrophobicContact CG2-CG2 3.84Å; V68-Q70 PolarHBondContact O-N 2.98Å; V68-L71 HydrophobicContact CB-CD1 4.26Å; V68-L71 HydrophobicContact CG1-CB 4.35Å; V68-L71 HydrophobicContact CG1-CD1 3.79Å; V68-L71 HydrophobicContact CG1-CG 3.85Å; V68-L71 PolarHBondContact O-N 3.47Å; V68-L71 VanDerWaalsContact O-N 3.15Å
69W85.9Confident87.2Confident186 Ų18670.1 Ų70.171%0.70535%0.347SS*.Hα-helixtrans-61.5-26.8-171.958.7-93.2000113.8L71 A72 S73W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.12Å; W69-A72 WeakPolarHBondContact O-CB 3.47Å; W69-A72 PolarHBondContact O-N 3Å; W69-S73 PolarHBondContact O-N 2.9Å; W69-S73 VanDerWaalsContact O-N 3.14Å
70Q85.9Confident86.6Confident94 Ų9473.3 Ų73.344%0.43935%0.348SS..Hα-helixtrans-61.3-38.5177-6188.3-17.600111.9V68 A72 S73 L74V68-Q70 PolarHBondContact O-N 2.98Å; Q70-A72 VanDerWaalsContact C-N 3.35Å; Q70-S73 PolarHBondContact O-N 3.36Å; Q70-L74 PolarHBondContact O-N 3.39Å; Q70-L74 VanDerWaalsContact O-N 3.07Å
71L89.4Confident85.8Confident36 Ų3677.4 Ų77.419%0.18837%0.37CS..Hα-helixtrans-70.6-32.7177.7-69.9175.6000111.8L23 P26 V34 V68 W69 S73 L74 V75L23-L71 HydrophobicContact CD1-CD1 4.17Å; P26-L71 HydrophobicContact CB-CB 4.02Å; P26-L71 HydrophobicContact CB-CD1 4.48Å; P26-L71 HydrophobicContact CG-CB 3.91Å; V34-L71 HydrophobicContact CB-CD1 4.07Å; V34-L71 HydrophobicContact CG1-CD1 3.66Å; V34-L71 HydrophobicContact CG2-CD1 3.85Å; V68-L71 HydrophobicContact CB-CD1 4.26Å; V68-L71 HydrophobicContact CG1-CB 4.35Å; V68-L71 HydrophobicContact CG1-CD1 3.79Å; V68-L71 HydrophobicContact CG1-CG 3.85Å; V68-L71 PolarHBondContact O-N 3.47Å; V68-L71 VanDerWaalsContact O-N 3.15Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.12Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.16Å; L71-L74 HydrophobicContact CD2-CD1 4.16Å; L71-L74 PolarHBondContact O-N 2.8Å; L71-V75 WeakPolarHBondContact O-CG2 3.43Å; L71-V75 PolarHBondContact O-N 2.68Å
72A84.7Confident84.9Confident32 Ų3278 Ų7826%0.26437%0.372SS..Hα-helixtrans-63-42.5174.100000110.7P26 W69 Q70 L74 V75 E76P26-A72 HydrophobicContact CG-CB 3.88Å; W69-A72 WeakPolarHBondContact O-CB 3.47Å; W69-A72 PolarHBondContact O-N 3Å; Q70-A72 VanDerWaalsContact C-N 3.35Å; A72-L74 PolarHBondContact O-N 3.03Å; A72-V75 PolarHBondContact O-N 2.85Å; A72-E76 PolarHBondContact O-N 2.95Å
73S83Confident83.7Confident53 Ų5377.3 Ų77.337%0.37138%0.378SS..Hα-helixtrans-64-38.4174.9-175.40000112.4W69 Q70 L71 E76 N77W69-S73 PolarHBondContact O-N 2.9Å; W69-S73 VanDerWaalsContact O-N 3.14Å; Q70-S73 PolarHBondContact O-N 3.36Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.16Å; S73-E76 PolarHBondContact O-N 3.03Å; S73-N77 WeakPolarHBondContact O-CB 3.33Å; S73-N77 PolarHBondContact O-N 3.02Å; S73-N77 PolarHBondContact O-ND2 3.34Å
74L86.7Confident82.1Confident68 Ų6876.4 Ų76.436%0.35638%0.377SS..Hα-helixtrans-64.9-43.2174.7-71.6179.2000112.5V14 Q70 L71 A72 E76 N77 I78V14-L74 HydrophobicContact CG1-CB 4.14Å; Q70-L74 PolarHBondContact O-N 3.39Å; Q70-L74 VanDerWaalsContact O-N 3.07Å; L71-L74 HydrophobicContact CD2-CD1 4.16Å; L71-L74 PolarHBondContact O-N 2.8Å; A72-L74 PolarHBondContact O-N 3.03Å; L74-E76 VanDerWaalsContact C-N 3.35Å; L74-E76 PolarHBondContact O-N 3.48Å; L74-N77 PolarHBondContact O-N 2.96Å; L74-I78 WeakPolarHBondContact O-CD1 3.38Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.35Å; L74-I78 PolarHBondContact O-N 3.49Å
75V87.7Confident80.3Confident4 Ų480.2 Ų80.22%0.02440%0.398CS..Hα-helixtrans-56.8-49174.2169.40000110.5V14 Y22 L23 L71 A72 N77 I78 E79V14-V75 HydrophobicContact CB-CG2 3.77Å; V14-V75 HydrophobicContact CG1-CG2 4.33Å; V14-V75 HydrophobicContact CG2-CG2 4.21Å; Y22-V75 HydrophobicContact CD1-CG1 4.43Å; Y22-V75 HydrophobicContact CD1-CG2 4.43Å; Y22-V75 HydrophobicContact CG-CG1 4.12Å; L23-V75 HydrophobicContact CB-CG2 4.25Å; L71-V75 WeakPolarHBondContact O-CG2 3.43Å; L71-V75 PolarHBondContact O-N 2.68Å; A72-V75 PolarHBondContact O-N 2.85Å; V75-N77 VanDerWaalsContact C-N 3.29Å; V75-N77 PolarHBondContact O-N 3.5Å; V75-I78 PolarHBondContact O-N 2.95Å; V75-E79 HydrophobicContact CG1-CG 4.36Å; V75-E79 WeakPolarHBondContact O-CB 3.39Å; V75-E79 WeakPolarHBondContact O-CG 3.29Å; V75-E79 PolarHBondContact O-N 2.8Å
76E83.3Confident78.1Confident98 Ų9881 Ų8146%0.45842%0.415SS..Hα-helixtrans-59.7-39.8177.6-75-175.6-165.100112.3A72 S73 L74 E79 R80A72-E76 PolarHBondContact O-N 2.95Å; S73-E76 PolarHBondContact O-N 3.03Å; L74-E76 VanDerWaalsContact C-N 3.35Å; L74-E76 PolarHBondContact O-N 3.48Å; E76-E79 PolarHBondContact O-N 2.94Å; E76-R80 WeakPolarHBondContact O-CB 3.44Å; E76-R80 VanDerWaalsContact O-CG 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.96Å; E76-R80 IonicContact OE2-NH2 2.76Å
77N80.9Confident75.6Confident69 Ų6985 Ų8537%0.36943%0.43SS..Hα-helixtrans-67.6-40.5178.2-70.2-24.4000111.8S73 L74 V75 R80 L81S73-N77 WeakPolarHBondContact O-CB 3.33Å; S73-N77 PolarHBondContact O-N 3.02Å; S73-N77 PolarHBondContact O-ND2 3.34Å; L74-N77 PolarHBondContact O-N 2.96Å; V75-N77 VanDerWaalsContact C-N 3.29Å; V75-N77 PolarHBondContact O-N 3.5Å; N77-R80 PolarHBondContact O-N 3.32Å; N77-L81 VanDerWaalsContact O-CG 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.46Å; N77-L81 PolarHBondContact O-N 3.47Å
78I83.5Confident72.9Confident2 Ų289 Ų891%0.0144%0.441CS..Hα-helixtrans-66.3-42.4175.9-65.8159.9000110.5L10 E11 V14 Y22 L74 V75 R80 L81 K82L10-I78 HydrophobicContact CD2-CD1 3.83Å; L10-I78 HydrophobicContact CD2-CG1 3.88Å; L10-I78 HydrophobicContact CG-CD1 3.78Å; L10-I78 HydrophobicContact CG-CG1 4.36Å; E11-I78 HydrophobicContact CG-CG2 3.95Å; V14-I78 HydrophobicContact CB-CD1 4.29Å; V14-I78 HydrophobicContact CG1-CD1 3.96Å; V14-I78 HydrophobicContact CG2-CD1 3.42Å; V14-I78 VanDerWaalsContact CG2-CD1 3.42Å; Y22-I78 HydrophobicContact CE1-CG2 4.08Å; Y22-I78 WeakPolarHBondContact OH-CG2 3.44Å; L74-I78 WeakPolarHBondContact O-CD1 3.38Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.35Å; L74-I78 PolarHBondContact O-N 3.49Å; V75-I78 PolarHBondContact O-N 2.95Å; I78-R80 VanDerWaalsContact C-N 3.34Å; I78-R80 PolarHBondContact O-N 3.23Å; I78-L81 PolarHBondContact O-N 2.86Å; I78-K82 PolarHBondContact O-N 3.45Å
79E81.4Confident70.2Confident56 Ų5694.1 Ų94.126%0.26248%0.475SS..Hα-helixtrans-58.6-45.1173-74.5-179.1150.100110.7R24 V75 E76 L81 K82 V83R24-E79 IonicContact CZ-OE1 2.81Å; R24-E79 IonicContact NH1-OE1 3.08Å; R24-E79 PolarHBondContact NH1-OE1 3.46Å; R24-E79 VanDerWaalsContact NH1-OE1 3.14Å; R24-E79 IonicContact NH1-OE2 3.48Å; R24-E79 IonicContact NH2-OE1 2.87Å; R24-E79 PolarHBondContact NH2-OE1 3.33Å; V75-E79 HydrophobicContact CG1-CG 4.36Å; V75-E79 WeakPolarHBondContact O-CB 3.39Å; V75-E79 WeakPolarHBondContact O-CG 3.29Å; V75-E79 PolarHBondContact O-N 2.8Å; E76-E79 PolarHBondContact O-N 2.94Å; E79-L81 PolarHBondContact O-N 3.34Å; E79-K82 PolarHBondContact O-N 2.91Å; E79-V83 VanDerWaalsContact O-CG2 3.31Å; E79-V83 WeakPolarHBondContact O-CG2 3.46Å; E79-V83 PolarHBondContact O-N 2.85Å
80R77.9Confident68Low151 Ų15188.1 Ų88.157%0.5747%0.471SS*.Hα-helixtrans-61.5-43.4175.3-74174.6-170.3-174.99.1112.6E76 N77 I78 K82 V83 D84E76-R80 WeakPolarHBondContact O-CB 3.44Å; E76-R80 VanDerWaalsContact O-CG 3.26Å; E76-R80 WeakPolarHBondContact O-CG 3.41Å; E76-R80 PolarHBondContact O-N 2.96Å; E76-R80 IonicContact OE2-NH2 2.76Å; N77-R80 PolarHBondContact O-N 3.32Å; I78-R80 VanDerWaalsContact C-N 3.34Å; I78-R80 PolarHBondContact O-N 3.23Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.35Å; R80-V83 PolarHBondContact O-N 3.43Å; R80-V83 VanDerWaalsContact O-N 3.16Å; R80-D84 PolarHBondContact O-N 3.38Å
81L73Confident65.5Low87 Ų8793.2 Ų93.246%0.45549%0.494SS..Hα-helixtrans-63.7-32.8176.8-71.9169.8000112.5L7 N77 I78 E79 N85L7-L81 HydrophobicContact CD2-CD1 4.34Å; N77-L81 VanDerWaalsContact O-CG 3.28Å; N77-L81 WeakPolarHBondContact O-CG 3.46Å; N77-L81 PolarHBondContact O-N 3.47Å; I78-L81 PolarHBondContact O-N 2.86Å; E79-L81 PolarHBondContact O-N 3.34Å; L81-N85 PolarHBondContact O-N 2.84Å; L81-N85 PolarHBondContact O-ND2 3.16Å
82K70.4Confident62.9Low90 Ų9099.4 Ų99.439%0.39153%0.527SS..Hα-helixtrans-69.6-40.1172.2-76.2-172.1172.2-175.80112.1E11 Y22 I78 E79 R80 N85 G86E11-K82 WeakPolarHBondContact OE1-CE 3.19Å; E11-K82 IonicContact OE1-NZ 3.97Å; E11-K82 PolarHBondContact OE1-NZ 2.95Å; E11-K82 VanDerWaalsContact OE1-NZ 3.07Å; E11-K82 IonicContact OE2-NZ 3.88Å; E11-K82 PolarHBondContact OE2-NZ 3.1Å; Y22-K82 WeakPolarHBondContact OH-CE 3.33Å; Y22-K82 PolarHBondContact OH-NZ 3.38Å; I78-K82 PolarHBondContact O-N 3.45Å; E79-K82 PolarHBondContact O-N 2.91Å; R80-K82 VanDerWaalsContact C-N 3.29Å; R80-K82 PolarHBondContact O-N 3.35Å; K82-N85 PolarHBondContact O-N 2.89Å; K82-G86 PolarHBondContact O-N 2.9Å
83V61.1Low60.6Low103 Ų103102 Ų10262%0.62455%0.548SS*.Hα-helixtrans-66.8-38.3179.1174.20000111.5E79 R80 G86E79-V83 VanDerWaalsContact O-CG2 3.31Å; E79-V83 WeakPolarHBondContact O-CG2 3.46Å; E79-V83 PolarHBondContact O-N 2.85Å; R80-V83 PolarHBondContact O-N 3.43Å; R80-V83 VanDerWaalsContact O-N 3.16Å; V83-G86 PolarHBondContact O-N 3.36Å
84D53.6Low58.4Low127 Ų127111.2 Ų111.268%0.67958%0.575SS**Hα-helixtrans-73.7-30.3178.4-80.2-23.4000113.3R80R80-D84 PolarHBondContact O-N 3.38Å
85N51.6Low55.9Low133 Ų133115.5 Ų115.571%0.71159%0.593SS**Hα-helixtrans-81.5-16.3172.8-79.7-37.1000113.9L81 K82L81-N85 PolarHBondContact O-N 2.84Å; L81-N85 PolarHBondContact O-ND2 3.16Å; K82-N85 PolarHBondContact O-N 2.89Å
86G45.7Very low53.8Low52 Ų52121 Ų12154%0.53663%0.629SS.*THydrogen-bonded Turntrans-96.65.7-176.100000115.1K82 V83 Q88K82-G86 PolarHBondContact O-N 2.9Å; V83-G86 PolarHBondContact O-N 3.36Å; G86-Q88 PolarHBondContact O-N 3.18Å
87R39.7Very low51.9Low223 Ų223125.5 Ų125.584%0.84265%0.65SS**  trans-75.961.6-176.3-151.8169.5-162.8-160.52112.6
88Q35.2Very low50.6Low176 Ų176128.3 Ų128.382%0.82267%0.665SS**  trans-78.7127.3151.1-70-158.6500108.4G86 G90G86-Q88 PolarHBondContact O-N 3.18Å; Q88-G90 PolarHBondContact O-N 2.97Å; Q88-G90 VanDerWaalsContact O-N 3.12Å
89P34.3Very low49.5Very low137 Ų137134 Ų13489%0.8969%0.693SS**THydrogen-bonded Turntrans-75.897.6172.823-16.9000108.3
90G38.6Very low49.3Very low60 Ų60137.6 Ų137.662%0.61971%0.708SS**THydrogen-bonded Turntrans-166.7-23.5-176.500000119.4Q88 L92Q88-G90 PolarHBondContact O-N 2.97Å; Q88-G90 VanDerWaalsContact O-N 3.12Å; G90-L92 PolarHBondContact O-N 3.07Å
91E34.2Very low49.8Very low200 Ų200134.3 Ų134.394%0.93570%0.701SS**  trans-93.193.1-176.1-75.8-174.6159.800112.5
92L35.2Very low50.5Low166 Ų166130.6 Ų130.687%0.86968%0.682SS**  trans-40.4132.7160.2-74141.8000111.6G90 R94G90-L92 PolarHBondContact O-N 3.07Å; L92-R94 PolarHBondContact O-N 3.27Å
93A35.1Very low51.2Low86 Ų86135.2 Ų135.271%0.71171%0.705SS**  trans-41.2119.4174.200000112.8E95A93-E95 PolarHBondContact O-N 3.04Å
94R38.3Very low52.3Low248 Ų248138.1 Ų138.194%0.93671%0.705SS**  trans-67.693.5147.5-74.9-175177.5-179.80.6106.4L92L92-R94 PolarHBondContact O-N 3.27Å
95E34Very low53.9Low157 Ų157135.1 Ų135.173%0.73469%0.687SS**  trans-57.6131.5168.1-69.3-165.1143.900108.9A93 Q97A93-E95 PolarHBondContact O-N 3.04Å; E95-Q97 PolarHBondContact O-N 2.92Å
96P43.8Very low55.4Low121 Ų121135.1 Ų135.179%0.78668%0.682SS**  trans-63.7123.2174.6-11.325.2000108.4D98P96-D98 PolarHBondContact O-N 3.27Å
97Q43.4Very low57.2Low192 Ų192137.2 Ų137.290%0.89768%0.678SS**  trans-7155.7172.4-71.5177.2-13.100111.5E95 M99E95-Q97 PolarHBondContact O-N 2.92Å; Q97-M99 VanDerWaalsContact C-N 3.35Å
98D52.6Low59.5Low127 Ų127130.9 Ų130.968%0.67966%0.657SS**  trans-99.867.1165.9-159.118.2000107.9P96 K100P96-D98 PolarHBondContact O-N 3.27Å; D98-K100 PolarHBondContact O-N 2.88Å
99M60.7Low62.1Low121 Ų121124.2 Ų124.260%0.59663%0.627SS**  trans-71.792.5179-70.3-166.1133.500109.2Q97 L101 K108Q97-M99 VanDerWaalsContact C-N 3.35Å; M99-L101 PolarHBondContact O-N 3.39Å; M99-K108 HydrophobicContact CE-CD 4.09Å; M99-K108 VanDerWaalsContact CE-NZ 3.3Å; M99-K108 HydrophobicContact SD-CD 4.27Å; M99-K108 WeakPolarHBondContact SD-CE 3.46Å
100K76.9Confident64.7Low133 Ų133122 Ų12258%0.57860%0.604SS**PPolyproline II helixtrans-62.8121.8174.8-65.3-172.5178.3-176.70110.5D98 L109 L119D98-K100 PolarHBondContact O-N 2.88Å; K100-L109 HydrophobicContact CB-CD1 3.86Å; K100-L109 WeakPolarHBondContact O-CG 3.46Å; K100-L109 PolarHBondContact O-N 2.78Å; K100-L119 HydrophobicContact CD-CD1 4.44Å
101L87.4Confident67.2Low81 Ų81121.5 Ų121.542%0.42458%0.584SS.*BIsolated β-bridgetrans-95.8151.3176.3-60.2177.1000110.3M99 E103 K108M99-L101 PolarHBondContact O-N 3.39Å; L101-E103 PolarHBondContact O-N 3.03Å; L101-K108 HydrophobicContact CD2-CG 4.07Å
102C88Confident70Confident10 Ų10115.1 Ų115.17%0.06855%0.552CS.*PPolyproline II helixtrans-69.3124.1171.3179.30000110.2R104 H105 Q106 E107 L109 C121 C124C102-R104 PolarHBondContact O-N 2.99Å; C102-H105 HydrophobicContact CB-CB 4.32Å; C102-H105 PolarHBondContact O-N 3.37Å; C102-H105 PolarHBondContact SG-ND1 3.43Å; C102-Q106 WeakPolarHBondContact O-CA 3.46Å; C102-Q106 PolarHBondContact O-N 3.33Å; C102-E107 WeakPolarHBondContact CB-O 3.36Å; C102-E107 PolarHBondContact N-O 2.94Å; C102-L109 HydrophobicContact CB-CD2 3.63Å; C102-L109 HydrophobicContact CB-CG 4.48Å; C102-C121 HydrophobicContact CB-CB 3.74Å; C102-C121 VanDerWaalsContact SG-SG 3.62Å; C102-C124 PolarHBondContact SG-SG 3Å
103E85.3Confident72.8Confident187 Ų187107.2 Ų107.287%0.87451%0.51SS*.THydrogen-bonded Turntrans-56.5-34.4178.3-63177177.100113L101L101-E103 PolarHBondContact O-N 3.03Å
104R85.1Confident75.5Confident163 Ų163108.2 Ų108.262%0.61550%0.501SS*.THydrogen-bonded Turntrans-82.8-33.2-177.2-69.6176.768.2165.31.4114C102 E129C102-R104 PolarHBondContact O-N 2.99Å; R104-E129 IonicContact CZ-OE1 3.82Å; R104-E129 IonicContact NH1-OE1 2.88Å; R104-E129 PolarHBondContact NH1-OE1 2.83Å; R104-E129 IonicContact NH1-OE2 3.36Å; R104-E129 PolarHBondContact NH1-OE2 3.02Å; R104-E129 IonicContact NH2-OE1 3.8Å
105H86Confident78Confident64 Ų64101 Ų10130%0.29648%0.48SS..THydrogen-bonded Turntrans-119.9-9-168.2-56.9112.6000113.7C102 E107 C121 M123 C124C102-H105 HydrophobicContact CB-CB 4.32Å; C102-H105 PolarHBondContact O-N 3.37Å; C102-H105 PolarHBondContact SG-ND1 3.43Å; H105-E107 HydrophobicContact CB-CB 4.13Å; H105-E107 HydrophobicContact CB-CG 4.1Å; H105-E107 PolarHBondContact O-N 3.13Å; H105-C121 PolarHBondContact ND1-SG 3.14Å; H105-M123 HydrophobicContact CB-CB 4.24Å; H105-M123 HydrophobicContact CB-CG 4.34Å; H105-C124 PolarHBondContact CE1-SG 3.46Å; H105-C124 PolarHBondContact ND1-SG 3.45Å
106Q84Confident80.8Confident134 Ų13496.6 Ų96.663%0.62646%0.462SS*.  trans55.919.3-172.6-62.8-71-28.400113.5C102C102-Q106 WeakPolarHBondContact O-CA 3.46Å; C102-Q106 PolarHBondContact O-N 3.33Å
107E83.4Confident83Confident96 Ų9692.9 Ų92.945%0.44945%0.445SS..  trans-96.5150.3-179.6-77.7-64.1159.800111C102 H105 L109 C121C102-E107 WeakPolarHBondContact CB-O 3.36Å; C102-E107 PolarHBondContact N-O 2.94Å; H105-E107 HydrophobicContact CB-CB 4.13Å; H105-E107 HydrophobicContact CB-CG 4.1Å; H105-E107 PolarHBondContact O-N 3.13Å; E107-L109 PolarHBondContact O-N 2.93Å; E107-C121 HydrophobicContact CB-CB 3.51Å
108K87.6Confident85.3Confident89 Ų8989 Ų8939%0.38743%0.426SS..BIsolated β-bridgetrans-61.3136.9177.6-71.3-179.6-175.7179.60111.3M99 L101 H110 C121M99-K108 HydrophobicContact CE-CD 4.09Å; M99-K108 VanDerWaalsContact CE-NZ 3.3Å; M99-K108 HydrophobicContact SD-CD 4.27Å; M99-K108 WeakPolarHBondContact SD-CE 3.46Å; L101-K108 HydrophobicContact CD2-CG 4.07Å; K108-H110 VanDerWaalsContact CB-NE2 3.35Å; K108-H110 WeakPolarHBondContact CB-NE2 3.28Å; K108-H110 PolarHBondContact O-CD2 3.01Å; K108-H110 PolarHBondContact O-N 3.26Å; K108-H110 VanDerWaalsContact O-N 3.15Å; K108-C121 WeakPolarHBondContact O-CA 3.32Å; K108-C121 VanDerWaalsContact O-CB 3.31Å; K108-C121 WeakPolarHBondContact O-CB 3.44Å
109L90.8Very high87.2Confident37 Ų3786.4 Ų86.419%0.19441%0.411CS..  trans-81.291.2178.7-63.6175.3000110.7K100 C102 E107 L119 L120 C121K100-L109 HydrophobicContact CB-CD1 3.86Å; K100-L109 WeakPolarHBondContact O-CG 3.46Å; K100-L109 PolarHBondContact O-N 2.78Å; C102-L109 HydrophobicContact CB-CD2 3.63Å; C102-L109 HydrophobicContact CB-CG 4.48Å; E107-L109 PolarHBondContact O-N 2.93Å; L109-L119 HydrophobicContact CB-CB 4.1Å; L109-L119 HydrophobicContact CD1-CB 3.79Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.4Å; L109-L119 HydrophobicContact CG-CB 4.32Å; L109-L120 CarbonylContact C-O 3.5Å; L109-L120 WeakPolarHBondContact CA-O 3.45Å; L109-C121 HydrophobicContact CD2-CB 4.22Å
110H89.1Confident88.6Confident91 Ų9180.8 Ų80.842%0.42138%0.383SS..  trans-91.5-21.7-176.9-73.1-68.7000114.5K108 L120 L137 V138K108-H110 VanDerWaalsContact CB-NE2 3.35Å; K108-H110 WeakPolarHBondContact CB-NE2 3.28Å; K108-H110 PolarHBondContact O-CD2 3.01Å; K108-H110 PolarHBondContact O-N 3.26Å; K108-H110 VanDerWaalsContact O-N 3.15Å; H110-L120 PolarHBondContact N-O 3.15Å; H110-L120 VanDerWaalsContact N-O 3.07Å; H110-L137 HydrophobicContact CB-CD2 4.48Å; H110-L137 WeakPolarHBondContact O-CA 3.26Å; H110-V138 WeakPolarHBondContact O-CG2 3.31Å; H110-V138 PolarHBondContact O-N 3.46Å
111Y91.2Very high89.4Confident48 Ų4874.4 Ų74.419%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-116.7154.5-172-56.9-87.5000111.7L119 L120 V122 R125 V136 L137Y111-L119 CarbonylContact O-C 3.06Å; Y111-L119 WeakPolarHBondContact O-CA 3.37Å; Y111-L120 PolarHBondContact N-O 3.04Å; Y111-L120 PolarHBondContact O-N 2.92Å; Y111-V122 HydrophobicContact CE2-CG2 4.06Å; Y111-R125 HydrophobicContact CD2-CB 4.37Å; Y111-V136 CarbonylContact C-O 3.05Å; Y111-V136 WeakPolarHBondContact CA-O 3.45Å; Y111-L137 HydrophobicContact CD1-CD2 4.13Å; Y111-L137 HydrophobicContact CE1-CD2 3.83Å; Y111-L137 HydrophobicContact CE1-CG 4.49Å
112Y93.1Very high89.5Confident66 Ų6673.6 Ų73.626%0.25935%0.354SS..EExtended strand (participates in β ladder)trans-120125.8170.2176.6-101.7000108E114 G117 K118 L119 A135 V136 A141Y112-E114 HydrophobicContact CD1-CG 4.15Å; Y112-E114 HydrophobicContact CE1-CG 4.26Å; Y112-G117 WeakPolarHBondContact OH-CA 3.46Å; Y112-K118 WeakPolarHBondContact CA-O 3.48Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; Y112-A135 WeakPolarHBondContact O-CA 3.25Å; Y112-V136 PolarHBondContact N-O 3.35Å; Y112-V136 PolarHBondContact O-N 3.21Å; Y112-A141 HydrophobicContact CD1-CB 3.66Å; Y112-A141 HydrophobicContact CG-CB 3.92Å
113C93.1Very high89.5Confident0 Ų078.3 Ų78.30%038%0.376CS..EExtended strand (participates in β ladder)trans-81.8114.6172.3-167.90000108.8D115 D116 G117 K118 L120 H130 H133C113-D115 VanDerWaalsContact C-N 3.31Å; C113-D115 PolarHBondContact O-N 2.94Å; C113-D116 HydrophobicContact CB-CB 4.23Å; C113-D116 PolarHBondContact SG-OD2 3.38Å; C113-G117 WeakPolarHBondContact O-CA 3.31Å; C113-G117 PolarHBondContact O-N 3.06Å; C113-K118 PolarHBondContact N-O 3.23Å; C113-L120 HydrophobicContact CB-CD1 3.87Å; C113-L120 HydrophobicContact CB-CD2 4.43Å; C113-L120 HydrophobicContact CB-CG 4.14Å; C113-H130 PolarHBondContact SG-ND1 3Å; C113-H133 WeakPolarHBondContact SG-CB 3.44Å
114E91.3Very high89.8Confident108 Ų10870 Ų7051%0.50534%0.339SS..THydrogen-bonded Turntrans-67.6-34.4179.8-66-177.8164.800111.7Y112 T134 V136Y112-E114 HydrophobicContact CD1-CG 4.15Å; Y112-E114 HydrophobicContact CE1-CG 4.26Å; E114-T134 PolarHBondContact N-O 3.05Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; E114-V136 HydrophobicContact CG-CG2 4.15Å
115D91Very high90Very high96 Ų9666.5 Ų66.551%0.51333%0.326SS..THydrogen-bonded Turntrans-69.8-44.4-179.9-53.7-103.4000113C113 H133 T134C113-D115 VanDerWaalsContact C-N 3.31Å; C113-D115 PolarHBondContact O-N 2.94Å; D115-H133 HydrophobicContact CB-CB 4.06Å; D115-H133 WeakPolarHBondContact OD2-CA 3.46Å; D115-H133 WeakPolarHBondContact OD2-CB 3.48Å; D115-H133 IonicContact OD2-CG 3.61Å; D115-T134 PolarHBondContact OD2-N 2.88Å
116D92.3Very high90.2Very high65 Ų6568.5 Ų68.535%0.34834%0.335SS..THydrogen-bonded Turntrans-97-12.1-175.4-65-56.4000114.4C113 K118 H130 H133C113-D116 HydrophobicContact CB-CB 4.23Å; C113-D116 PolarHBondContact SG-OD2 3.38Å; D116-K118 VanDerWaalsContact C-N 3.26Å; D116-K118 HydrophobicContact CB-CB 4.26Å; D116-K118 HydrophobicContact CB-CD 3.97Å; D116-K118 HydrophobicContact CB-CG 3.98Å; D116-K118 PolarHBondContact O-N 3.31Å; D116-H130 IonicContact OD2-CE1 2.84Å; D116-H130 PolarHBondContact OD2-CE1 3.34Å; D116-H130 IonicContact OD2-ND1 3.1Å; D116-H130 PolarHBondContact OD2-ND1 3.29Å; D116-H133 IonicContact OD1-CE1 3.79Å; D116-H133 PolarHBondContact OD1-CE1 3.35Å; D116-H133 IonicContact OD1-ND1 3.07Å; D116-H133 IonicContact OD2-CE1 2.83Å; D116-H133 PolarHBondContact OD2-CE1 3.49Å; D116-H133 IonicContact OD2-CG 2.95Å; D116-H133 IonicContact OD2-ND1 3.19Å; D116-H133 PolarHBondContact OD2-ND1 3.25Å
117G91.5Very high90.4Very high42 Ų4263.2 Ų63.243%0.43331%0.313SS..THydrogen-bonded Turntrans65.225.2-17200000114.6Y112 C113Y112-G117 WeakPolarHBondContact OH-CA 3.46Å; C113-G117 WeakPolarHBondContact O-CA 3.31Å; C113-G117 PolarHBondContact O-N 3.06Å
118K90.6Very high90.6Very high112 Ų11270 Ų7049%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-108.2145.5-173.9-69175.9-171.8166.20112.9Y112 C113 D116 L120Y112-K118 WeakPolarHBondContact CA-O 3.48Å; C113-K118 PolarHBondContact N-O 3.23Å; D116-K118 VanDerWaalsContact C-N 3.26Å; D116-K118 HydrophobicContact CB-CB 4.26Å; D116-K118 HydrophobicContact CB-CD 3.97Å; D116-K118 HydrophobicContact CB-CG 3.98Å; D116-K118 PolarHBondContact O-N 3.31Å; K118-L120 HydrophobicContact CB-CD2 4.13Å
119L92.3Very high90.6Very high71 Ų7170.9 Ų70.937%0.37234%0.34SS..EExtended strand (participates in β ladder)trans-80.6129.3168.6-67.5174.7000109.8K100 L109 Y111 Y112 V138K100-L119 HydrophobicContact CD-CD1 4.44Å; L109-L119 HydrophobicContact CB-CB 4.1Å; L109-L119 HydrophobicContact CD1-CB 3.79Å; L109-L119 HydrophobicContact CD1-CD1 4.2Å; L109-L119 HydrophobicContact CD2-CB 4.4Å; L109-L119 HydrophobicContact CG-CB 4.32Å; Y111-L119 CarbonylContact O-C 3.06Å; Y111-L119 WeakPolarHBondContact O-CA 3.37Å; Y112-L119 HydrophobicContact CD2-CD2 4.34Å; L119-V138 HydrophobicContact CD2-CB 4.48Å; L119-V138 HydrophobicContact CD2-CG1 4.16Å; L119-V138 HydrophobicContact CD2-CG2 3.46Å; L119-V138 VanDerWaalsContact CD2-CG2 3.46Å
120L91.5Very high90.5Very high3 Ų369.7 Ų69.72%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-119.5140.4-176.7-46.5-177.9000110.7L109 H110 Y111 C113 K118 C124 R125 H130 A135L109-L120 CarbonylContact C-O 3.5Å; L109-L120 WeakPolarHBondContact CA-O 3.45Å; H110-L120 PolarHBondContact N-O 3.15Å; H110-L120 VanDerWaalsContact N-O 3.07Å; Y111-L120 PolarHBondContact N-O 3.04Å; Y111-L120 PolarHBondContact O-N 2.92Å; C113-L120 HydrophobicContact CB-CD1 3.87Å; C113-L120 HydrophobicContact CB-CD2 4.43Å; C113-L120 HydrophobicContact CB-CG 4.14Å; K118-L120 HydrophobicContact CB-CD2 4.13Å; L120-C124 HydrophobicContact CB-CB 3.86Å; L120-C124 HydrophobicContact CD2-CB 4.05Å; L120-C124 HydrophobicContact CG-CB 4.46Å; L120-R125 HydrophobicContact CD1-CB 4.35Å; L120-H130 HydrophobicContact CD1-CB 3.72Å; L120-H130 VanDerWaalsContact CD2-CD2 3.49Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.37Å; L120-H130 VanDerWaalsContact CD2-NE2 3.28Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.49Å; L120-A135 HydrophobicContact CD1-CB 4.32Å
121C92Very high90.5Very high0 Ų074.3 Ų74.30%035%0.347CS..  trans-81.3175.4159.669.30000110.3C102 H105 E107 K108 L109 M123 C124 R125C102-C121 HydrophobicContact CB-CB 3.74Å; C102-C121 VanDerWaalsContact SG-SG 3.62Å; H105-C121 PolarHBondContact ND1-SG 3.14Å; E107-C121 HydrophobicContact CB-CB 3.51Å; K108-C121 WeakPolarHBondContact O-CA 3.32Å; K108-C121 VanDerWaalsContact O-CB 3.31Å; K108-C121 WeakPolarHBondContact O-CB 3.44Å; L109-C121 HydrophobicContact CD2-CB 4.22Å; C121-M123 PolarHBondContact O-N 3.5Å; C121-C124 PolarHBondContact O-N 3.09Å; C121-C124 PolarHBondContact SG-N 2.91Å; C121-C124 VanDerWaalsContact SG-N 3.42Å; C121-R125 PolarHBondContact O-N 3.07Å
122V89.6Confident90.4Very high63 Ų6377 Ų7738%0.38237%0.37SS..Hα-helixtrans-52.7-44176.9-178.40000111.3Y111 R125 E126Y111-V122 HydrophobicContact CE2-CG2 4.06Å; V122-R125 PolarHBondContact O-N 3.28Å; V122-E126 PolarHBondContact O-N 2.81Å
123M89.7Confident90.5Very high109 Ų10976.5 Ų76.554%0.53737%0.37SS..Hα-helixtrans-70-37.5-178.7-57.3-56.7-71.800112.9H105 C121 E126 S127H105-M123 HydrophobicContact CB-CB 4.24Å; H105-M123 HydrophobicContact CB-CG 4.34Å; C121-M123 PolarHBondContact O-N 3.5Å; M123-E126 PolarHBondContact O-N 3.37Å; M123-S127 PolarHBondContact O-N 3.23Å
124C90.6Very high90.4Very high13 Ų1380.1 Ų80.19%0.08839%0.393CS..Hα-helixtrans-67-39.2176.1-75.20000112C102 H105 L120 C121 E126 S127 H130C102-C124 PolarHBondContact SG-SG 3Å; H105-C124 PolarHBondContact CE1-SG 3.46Å; H105-C124 PolarHBondContact ND1-SG 3.45Å; L120-C124 HydrophobicContact CB-CB 3.86Å; L120-C124 HydrophobicContact CD2-CB 4.05Å; L120-C124 HydrophobicContact CG-CB 4.46Å; C121-C124 PolarHBondContact O-N 3.09Å; C121-C124 PolarHBondContact SG-N 2.91Å; C121-C124 VanDerWaalsContact SG-N 3.42Å; C124-E126 VanDerWaalsContact C-N 3.29Å; C124-E126 PolarHBondContact O-N 3.11Å; C124-S127 VanDerWaalsContact O-CB 3.23Å; C124-S127 WeakPolarHBondContact O-CB 3.37Å; C124-S127 PolarHBondContact O-N 2.91Å; C124-S127 VanDerWaalsContact O-N 3.14Å; C124-S127 PolarHBondContact O-OG 3.28Å; C124-H130 WeakPolarHBondContact O-CB 3.46Å
125R90.2Very high90.4Very high90 Ų9076 Ų7634%0.3438%0.377SS..Hα-helixtrans-57.9-40.8176174.9177.3176.6-103.99.6112.4Y111 L120 C121 V122 S127 A135Y111-R125 HydrophobicContact CD2-CB 4.37Å; L120-R125 HydrophobicContact CD1-CB 4.35Å; C121-R125 PolarHBondContact O-N 3.07Å; V122-R125 PolarHBondContact O-N 3.28Å; R125-S127 VanDerWaalsContact C-N 3.31Å; R125-A135 HydrophobicContact CG-CB 4.02Å
126E89Confident90.5Very high105 Ų10572.8 Ų72.849%0.49136%0.361SS..THydrogen-bonded Turntrans-83.6-6.1179.8-58.8-55.714200113.6V122 M123 C124V122-E126 PolarHBondContact O-N 2.81Å; M123-E126 PolarHBondContact O-N 3.37Å; C124-E126 VanDerWaalsContact C-N 3.29Å; C124-E126 PolarHBondContact O-N 3.11Å
127S88.6Confident90.5Very high24 Ų2473.9 Ų73.917%0.16837%0.366CS..SBendtrans-65153.6179.176.80000111.5M123 C124 R125 E129 H130 R131M123-S127 PolarHBondContact O-N 3.23Å; C124-S127 VanDerWaalsContact O-CB 3.23Å; C124-S127 WeakPolarHBondContact O-CB 3.37Å; C124-S127 PolarHBondContact O-N 2.91Å; C124-S127 VanDerWaalsContact O-N 3.14Å; C124-S127 PolarHBondContact O-OG 3.28Å; R125-S127 VanDerWaalsContact C-N 3.31Å; S127-E129 PolarHBondContact O-N 3.45Å; S127-E129 PolarHBondContact OG-N 3.24Å; S127-H130 PolarHBondContact O-N 3.04Å; S127-H130 PolarHBondContact OG-N 2.82Å; S127-R131 WeakPolarHBondContact O-CB 3.42Å; S127-R131 PolarHBondContact O-N 3.07Å
128R88.2Confident90.4Very high238 Ų23874.2 Ų74.290%0.89836%0.36SS*.THydrogen-bonded Turntrans-57.1-24.4175.6-64.6-176.1-177.9-158.30.7113
129E87.7Confident90.3Very high108 Ų10875.5 Ų75.551%0.50537%0.367SS..THydrogen-bonded Turntrans-71.1-44.3179.5-63.8169.4-147.200111.9R104 S127R104-E129 IonicContact CZ-OE1 3.82Å; R104-E129 IonicContact NH1-OE1 2.88Å; R104-E129 PolarHBondContact NH1-OE1 2.83Å; R104-E129 IonicContact NH1-OE2 3.36Å; R104-E129 PolarHBondContact NH1-OE2 3.02Å; R104-E129 IonicContact NH2-OE1 3.8Å; S127-E129 PolarHBondContact O-N 3.45Å; S127-E129 PolarHBondContact OG-N 3.24Å
130H89Confident90.2Very high11 Ų1179 Ų795%0.05138%0.379CS..THydrogen-bonded Turntrans-109.3-7.3-175.3-63.9-72.7000115C113 D116 L120 C124 S127 P132 H133C113-H130 PolarHBondContact SG-ND1 3Å; D116-H130 IonicContact OD2-CE1 2.84Å; D116-H130 PolarHBondContact OD2-CE1 3.34Å; D116-H130 IonicContact OD2-ND1 3.1Å; D116-H130 PolarHBondContact OD2-ND1 3.29Å; L120-H130 HydrophobicContact CD1-CB 3.72Å; L120-H130 VanDerWaalsContact CD2-CD2 3.49Å; L120-H130 WeakPolarHBondContact CD2-CD2 3.37Å; L120-H130 VanDerWaalsContact CD2-NE2 3.28Å; L120-H130 WeakPolarHBondContact CD2-NE2 3.49Å; C124-H130 WeakPolarHBondContact O-CB 3.46Å; S127-H130 PolarHBondContact O-N 3.04Å; S127-H130 PolarHBondContact OG-N 2.82Å; H130-P132 VanDerWaalsContact C-N 3.31Å; H130-H133 AromaticContact ND1-ND1 3.79Å; H130-H133 WeakPolarHBondContact O-CB 3.41Å; H130-H133 PolarHBondContact O-N 3.17Å
131R87.3Confident90.2Very high189 Ų18979.5 Ų79.571%0.71338%0.384SS*.THydrogen-bonded Turntrans-53.5-35.9177.1-175.4174-178.5163.31.7114.7S127 H133S127-R131 WeakPolarHBondContact O-CB 3.42Å; S127-R131 PolarHBondContact O-N 3.07Å; R131-H133 VanDerWaalsContact C-N 3.34Å
132P90.7Very high90.2Very high103 Ų10380.7 Ų80.767%0.66939%0.394SS*.THydrogen-bonded Turntrans-83.9-6.4175.332.4-32.6000113.8H130H130-P132 VanDerWaalsContact C-N 3.31Å
133H94.2Very high90.2Very high57 Ų5782.5 Ų82.526%0.26440%0.401SS..SBendtrans-92.5156.6-174.9-63.6177.4000112.4C113 D115 D116 H130 R131 A135C113-H133 WeakPolarHBondContact SG-CB 3.44Å; D115-H133 HydrophobicContact CB-CB 4.06Å; D115-H133 WeakPolarHBondContact OD2-CA 3.46Å; D115-H133 WeakPolarHBondContact OD2-CB 3.48Å; D115-H133 IonicContact OD2-CG 3.61Å; D116-H133 IonicContact OD1-CE1 3.79Å; D116-H133 PolarHBondContact OD1-CE1 3.35Å; D116-H133 IonicContact OD1-ND1 3.07Å; D116-H133 IonicContact OD2-CE1 2.83Å; D116-H133 PolarHBondContact OD2-CE1 3.49Å; D116-H133 IonicContact OD2-CG 2.95Å; D116-H133 IonicContact OD2-ND1 3.19Å; D116-H133 PolarHBondContact OD2-ND1 3.25Å; H130-H133 AromaticContact ND1-ND1 3.79Å; H130-H133 WeakPolarHBondContact O-CB 3.41Å; H130-H133 PolarHBondContact O-N 3.17Å; R131-H133 VanDerWaalsContact C-N 3.34Å; H133-A135 PolarHBondContact O-N 3.22Å
134T91.4Very high90.3Very high76 Ų7680.5 Ų80.547%0.46640%0.396SS..  trans-79.8106.3176.6-56.50000109.4E114 D115E114-T134 PolarHBondContact N-O 3.05Å; E114-T134 WeakPolarHBondContact OE2-CG2 3.41Å; D115-T134 PolarHBondContact OD2-N 2.88Å
135A91.7Very high90.3Very high22 Ų2284.9 Ų84.918%0.18242%0.415CS..EExtended strand (participates in β ladder)trans-109.7119.2177.200000111.3Y112 L120 R125 H133Y112-A135 WeakPolarHBondContact O-CA 3.25Å; L120-A135 HydrophobicContact CD1-CB 4.32Å; R125-A135 HydrophobicContact CG-CB 4.02Å; H133-A135 PolarHBondContact O-N 3.22Å
136V91.9Very high90.5Very high27 Ų2787.3 Ų87.316%0.16442%0.424CS..EExtended strand (participates in β ladder)trans-114.9161.9177.2-69.80000110.6Y111 Y112 E114 A141Y111-V136 CarbonylContact C-O 3.05Å; Y111-V136 WeakPolarHBondContact CA-O 3.45Å; Y112-V136 PolarHBondContact N-O 3.35Å; Y112-V136 PolarHBondContact O-N 3.21Å; E114-V136 HydrophobicContact CG-CG2 4.15Å; V136-A141 HydrophobicContact CG2-CB 3.77Å
137L92.6Very high90.7Very high88 Ų8888.1 Ų88.146%0.46143%0.428SS..EExtended strand (participates in β ladder)trans-61.7139.5173.8-70.2170.7000110.5H110 Y111 E139 K140 A141H110-L137 HydrophobicContact CB-CD2 4.48Å; H110-L137 WeakPolarHBondContact O-CA 3.26Å; Y111-L137 HydrophobicContact CD1-CD2 4.13Å; Y111-L137 HydrophobicContact CE1-CD2 3.83Å; Y111-L137 HydrophobicContact CE1-CG 4.49Å; L137-E139 PolarHBondContact O-N 3.06Å; L137-K140 HydrophobicContact CB-CB 4.39Å; L137-K140 WeakPolarHBondContact O-CA 3.34Å; L137-K140 WeakPolarHBondContact O-CB 3.4Å; L137-K140 PolarHBondContact O-N 3.43Å; L137-A141 PolarHBondContact O-N 2.88Å
138V90.3Very high91Very high50 Ų5093.8 Ų93.830%0.30345%0.45SS..Hα-helixtrans-52.9-41.9-178.3173.10000111.8H110 L119 K140 A141 A142H110-V138 WeakPolarHBondContact O-CG2 3.31Å; H110-V138 PolarHBondContact O-N 3.46Å; L119-V138 HydrophobicContact CD2-CB 4.48Å; L119-V138 HydrophobicContact CD2-CG1 4.16Å; L119-V138 HydrophobicContact CD2-CG2 3.46Å; L119-V138 VanDerWaalsContact CD2-CG2 3.46Å; V138-K140 VanDerWaalsContact C-N 3.32Å; V138-K140 PolarHBondContact O-N 3.35Å; V138-A141 PolarHBondContact O-N 3.38Å; V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 2.98Å
139E87.6Confident91.4Very high139 Ų13987.7 Ų87.765%0.6543%0.434SS*.Hα-helixtrans-59.8-42.6177.1-69.7166.5-163.500112.1L137 A142 L143L137-E139 PolarHBondContact O-N 3.06Å; E139-A142 PolarHBondContact O-N 2.9Å; E139-L143 WeakPolarHBondContact O-CG 3.34Å; E139-L143 PolarHBondContact O-N 2.89Å
140K89.9Confident91.8Very high143 Ų14387.3 Ų87.362%0.62244%0.435SS*.Hα-helixtrans-70.6-42178.8-170.1179.6180-176.30111.4L137 V138 A142 L143L137-K140 HydrophobicContact CB-CB 4.39Å; L137-K140 WeakPolarHBondContact O-CA 3.34Å; L137-K140 WeakPolarHBondContact O-CB 3.4Å; L137-K140 PolarHBondContact O-N 3.43Å; V138-K140 VanDerWaalsContact C-N 3.32Å; V138-K140 PolarHBondContact O-N 3.35Å; K140-A142 PolarHBondContact O-N 3.08Å; K140-L143 PolarHBondContact O-N 3.13Å
141A91.1Very high92.1Very high14 Ų1491 Ų9112%0.11646%0.455CS..Hα-helixtrans-59.4-36.9173.600000111.7Y112 V136 L137 V138 L143 P144 H145Y112-A141 HydrophobicContact CD1-CB 3.66Å; Y112-A141 HydrophobicContact CG-CB 3.92Å; V136-A141 HydrophobicContact CG2-CB 3.77Å; L137-A141 PolarHBondContact O-N 2.88Å; V138-A141 PolarHBondContact O-N 3.38Å; A141-L143 PolarHBondContact O-N 3.33Å; A141-P144 WeakPolarHBondContact O-CD 3.5Å; A141-H145 PolarHBondContact O-CD2 3.45Å; A141-H145 VanDerWaalsContact O-CD2 3.29Å
142A92.2Very high92.5Very high25 Ų2587.6 Ų87.621%0.20745%0.447CS..Hα-helixtrans-72.5-23.4-17900000113.9V138 E139 K140 H145 R146V138-A142 WeakPolarHBondContact O-CB 3.45Å; V138-A142 PolarHBondContact O-N 2.98Å; E139-A142 PolarHBondContact O-N 2.9Å; K140-A142 PolarHBondContact O-N 3.08Å; A142-H145 PolarHBondContact O-N 2.93Å; A142-R146 WeakPolarHBondContact O-CB 3.5Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.16Å
143L91.2Very high92.8Very high102 Ų10285.7 Ų85.753%0.53443%0.431SS..Hα-helixtrans-57.7-51.5-173.4-69.8173.8000113.5E139 K140 A141 H145 R146 E147E139-L143 WeakPolarHBondContact O-CG 3.34Å; E139-L143 PolarHBondContact O-N 2.89Å; K140-L143 PolarHBondContact O-N 3.13Å; A141-L143 PolarHBondContact O-N 3.33Å; L143-H145 VanDerWaalsContact C-N 3.29Å; L143-H145 PolarHBondContact O-N 3.42Å; L143-R146 PolarHBondContact O-N 3.01Å; L143-E147 PolarHBondContact O-N 3.2Å
144P91.1Very high92.9Very high67 Ų6786.5 Ų86.544%0.43544%0.437SS..Hα-helixtrans-65.1-33.1179.9-20.333.9000112.7A141 K148A141-P144 WeakPolarHBondContact O-CD 3.5Å; P144-K148 WeakPolarHBondContact O-CG 3.23Å; P144-K148 PolarHBondContact O-N 3.12Å
145H91Very high93.2Very high105 Ų10585.3 Ų85.349%0.48643%0.43SS..Hα-helixtrans-69.6-42.2175.6-65.7-72.2000111.5A141 A142 L143 E147 K148 I149A141-H145 PolarHBondContact O-CD2 3.45Å; A141-H145 VanDerWaalsContact O-CD2 3.29Å; A142-H145 PolarHBondContact O-N 2.93Å; L143-H145 VanDerWaalsContact C-N 3.29Å; L143-H145 PolarHBondContact O-N 3.42Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.84Å; H145-K148 PolarHBondContact O-N 2.94Å; H145-I149 WeakPolarHBondContact O-CB 3.43Å; H145-I149 VanDerWaalsContact O-CG1 3.24Å; H145-I149 WeakPolarHBondContact O-CG1 3.26Å; H145-I149 PolarHBondContact O-N 3.48Å
146R93.6Very high93.5Very high140 Ų14088.7 Ų88.753%0.52844%0.444SS..Hα-helixtrans-59.3-44.6173.8-75.5173.3175.9157.7-3.1111A142 L143 I149 L150A142-R146 WeakPolarHBondContact O-CB 3.5Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.16Å; L143-R146 PolarHBondContact O-N 3.01Å; R146-I149 PolarHBondContact O-N 3.35Å; R146-L150 WeakPolarHBondContact O-CB 3.23Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.34Å; R146-L150 PolarHBondContact O-N 3.29Å
147E94.2Very high93.8Very high122 Ų12293.6 Ų93.657%0.5746%0.46SS*.Hα-helixtrans-62.2-46.2176.9-172.3178.9-173.600112L143 H145 I149 L150 N151L143-E147 PolarHBondContact O-N 3.2Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 2.84Å; E147-I149 VanDerWaalsContact C-N 3.34Å; E147-I149 PolarHBondContact O-N 3.12Å; E147-L150 PolarHBondContact O-N 3.47Å; E147-N151 WeakPolarHBondContact O-CB 3.3Å; E147-N151 VanDerWaalsContact O-CG 3.29Å; E147-N151 PolarHBondContact O-N 2.91Å; E147-N151 PolarHBondContact O-ND2 2.9Å
148K95Very high94Very high144 Ų14496.4 Ų96.463%0.62646%0.464SS*.Hα-helixtrans-58.4-44.2174.5-75.1175.3-177.5178.60112.2P144 H145 N151 H152P144-K148 WeakPolarHBondContact O-CG 3.23Å; P144-K148 PolarHBondContact O-N 3.12Å; H145-K148 PolarHBondContact O-N 2.94Å; K148-N151 PolarHBondContact O-N 2.91Å; K148-H152 PolarHBondContact O-N 2.92Å
149I95.6Very high94.4Very high110 Ų11096.9 Ų96.956%0.56447%0.465SS*.Hα-helixtrans-63.8-45.6177.4-69.8165.6000110.6H145 R146 E147 N151 H152 L153H145-I149 WeakPolarHBondContact O-CB 3.43Å; H145-I149 VanDerWaalsContact O-CG1 3.24Å; H145-I149 WeakPolarHBondContact O-CG1 3.26Å; H145-I149 PolarHBondContact O-N 3.48Å; R146-I149 PolarHBondContact O-N 3.35Å; E147-I149 VanDerWaalsContact C-N 3.34Å; E147-I149 PolarHBondContact O-N 3.12Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 3.32Å; I149-H152 PolarHBondContact O-N 2.97Å; I149-L153 WeakPolarHBondContact O-CB 3.27Å; I149-L153 PolarHBondContact O-N 3.38Å
150L96.1Very high94.9Very high100 Ų10096.3 Ų96.352%0.52446%0.457SS..Hα-helixtrans-62.4-40.9177.8-72.4171.4000111.8R146 E147 L153 N154R146-L150 WeakPolarHBondContact O-CB 3.23Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.34Å; R146-L150 PolarHBondContact O-N 3.29Å; E147-L150 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 3.28Å; L150-N154 WeakPolarHBondContact O-CB 3.44Å; L150-N154 VanDerWaalsContact O-CG 3.26Å; L150-N154 PolarHBondContact O-N 3Å; L150-N154 PolarHBondContact O-ND2 3.07Å
151N95.4Very high95.2Very high89 Ų8993.2 Ų93.248%0.47645%0.447SS..Hα-helixtrans-63.7-43.9175.5-73.9-23.3000112E147 K148 I149 N154 T155E147-N151 WeakPolarHBondContact O-CB 3.3Å; E147-N151 VanDerWaalsContact O-CG 3.29Å; E147-N151 PolarHBondContact O-N 2.91Å; E147-N151 PolarHBondContact O-ND2 2.9Å; K148-N151 PolarHBondContact O-N 2.91Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 3.32Å; N151-N154 PolarHBondContact O-N 2.93Å; N151-T155 PolarHBondContact O-N 2.66Å; N151-T155 VanDerWaalsContact O-N 3.11Å; N151-T155 PolarHBondContact O-OG1 3.43Å
152H96.6Very high95.5Very high117 Ų11798.1 Ų98.154%0.54247%0.466SS..Hα-helixtrans-64.4-43.4175.6-17261.3000111.7K148 I149 N154 T155 L156K148-H152 PolarHBondContact O-N 2.92Å; I149-H152 PolarHBondContact O-N 2.97Å; H152-N154 VanDerWaalsContact C-N 3.33Å; H152-N154 PolarHBondContact O-N 2.89Å; H152-T155 WeakPolarHBondContact O-CA 3.47Å; H152-T155 WeakPolarHBondContact O-CB 3.5Å; H152-T155 PolarHBondContact O-N 2.96Å; H152-T155 VanDerWaalsContact O-N 3.07Å; H152-L156 WeakPolarHBondContact O-CG 3.41Å; H152-L156 PolarHBondContact O-N 3.12Å
153L96.8Very high95.8Very high62 Ų62102.2 Ų102.233%0.32548%0.483SS..Hα-helixtrans-62.8-37.8177.8-178.4147.6000112.2I149 L150 T155 L156 R157I149-L153 WeakPolarHBondContact O-CB 3.27Å; I149-L153 PolarHBondContact O-N 3.38Å; L150-L153 PolarHBondContact O-N 3.28Å; L153-T155 VanDerWaalsContact C-N 3.35Å; L153-L156 PolarHBondContact O-N 3.18Å; L153-R157 VanDerWaalsContact CD2-NE 3.35Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 VanDerWaalsContact O-CG 3.29Å; L153-R157 WeakPolarHBondContact O-CG 3.46Å; L153-R157 PolarHBondContact O-N 3.48Å
154N96.2Very high96.1Very high75 Ų75102.4 Ų102.440%0.40148%0.481SS..Hα-helixtrans-65.9-35.4172-74.1-24.8000112.6L150 N151 H152 R158L150-N154 WeakPolarHBondContact O-CB 3.44Å; L150-N154 VanDerWaalsContact O-CG 3.26Å; L150-N154 PolarHBondContact O-N 3Å; L150-N154 PolarHBondContact O-ND2 3.07Å; N151-N154 PolarHBondContact O-N 2.93Å; H152-N154 VanDerWaalsContact C-N 3.33Å; H152-N154 PolarHBondContact O-N 2.89Å; N154-R158 WeakPolarHBondContact O-CG 3.26Å; N154-R158 PolarHBondContact O-N 3.37Å; N154-R158 VanDerWaalsContact O-N 3.15Å; N154-R158 PolarHBondContact O-NE 3.12Å
155T97Very high96.4Very high50 Ų50101.2 Ų101.231%0.30748%0.481SS..Hα-helixtrans-67.4-48.8173.2-610000111.5N151 H152 L153 R157 R158 D159N151-T155 PolarHBondContact O-N 2.66Å; N151-T155 VanDerWaalsContact O-N 3.11Å; N151-T155 PolarHBondContact O-OG1 3.43Å; H152-T155 WeakPolarHBondContact O-CA 3.47Å; H152-T155 WeakPolarHBondContact O-CB 3.5Å; H152-T155 PolarHBondContact O-N 2.96Å; H152-T155 VanDerWaalsContact O-N 3.07Å; L153-T155 VanDerWaalsContact C-N 3.35Å; T155-R157 VanDerWaalsContact C-N 3.31Å; T155-R157 PolarHBondContact O-N 3.47Å; T155-R158 WeakPolarHBondContact O-CB 3.03Å; T155-R158 PolarHBondContact O-N 3.35Å; T155-R158 VanDerWaalsContact O-N 3.13Å; T155-R158 PolarHBondContact OG1-NH2 3.25Å; T155-D159 PolarHBondContact O-N 3.46Å
156L97.9Very high96.7Very high94 Ų94103.4 Ų103.449%0.49249%0.49SS..Hα-helixtrans-60.3-38.2177.3-68179.3000112.7H152 L153 D159 R160H152-L156 WeakPolarHBondContact O-CG 3.41Å; H152-L156 PolarHBondContact O-N 3.12Å; L153-L156 PolarHBondContact O-N 3.18Å; L156-D159 PolarHBondContact O-N 2.89Å; L156-R160 WeakPolarHBondContact O-CB 3.49Å; L156-R160 PolarHBondContact O-N 2.94Å
157R97.9Very high96.9Very high130 Ų130102 Ų10249%0.49149%0.489SS..Hα-helixtrans-62.1-46.9173.6-77.7174.9175.8172.6-3.1111.9L153 T155 D159 R160 D161L153-R157 VanDerWaalsContact CD2-NE 3.35Å; L153-R157 WeakPolarHBondContact O-CB 3.46Å; L153-R157 VanDerWaalsContact O-CG 3.29Å; L153-R157 WeakPolarHBondContact O-CG 3.46Å; L153-R157 PolarHBondContact O-N 3.48Å; T155-R157 VanDerWaalsContact C-N 3.31Å; T155-R157 PolarHBondContact O-N 3.47Å; R157-D159 VanDerWaalsContact C-N 3.3Å; R157-D159 PolarHBondContact O-N 3.06Å; R157-R160 PolarHBondContact O-N 2.96Å; R157-D161 PolarHBondContact O-N 3.46Å
158R97.4Very high97.1Very high147 Ų14799.1 Ų99.156%0.55549%0.486SS*.Hα-helixtrans-59.5-41.6175.3-74.3-179.1-68.2167.60.3111.7N154 T155 D161 K162N154-R158 WeakPolarHBondContact O-CG 3.26Å; N154-R158 PolarHBondContact O-N 3.37Å; N154-R158 VanDerWaalsContact O-N 3.15Å; N154-R158 PolarHBondContact O-NE 3.12Å; T155-R158 WeakPolarHBondContact O-CB 3.03Å; T155-R158 PolarHBondContact O-N 3.35Å; T155-R158 VanDerWaalsContact O-N 3.13Å; T155-R158 PolarHBondContact OG1-NH2 3.25Å; R158-D161 PolarHBondContact O-N 2.94Å; R158-K162 VanDerWaalsContact O-CG 3.28Å; R158-K162 WeakPolarHBondContact O-CG 3.31Å; R158-K162 PolarHBondContact O-N 3.34Å
159D97.8Very high97.3Very high60 Ų6098.6 Ų98.632%0.32148%0.484SS..Hα-helixtrans-70.3-37.9179.9-66.3-22.6000112.2T155 L156 R157 K162 I163T155-D159 PolarHBondContact O-N 3.46Å; L156-D159 PolarHBondContact O-N 2.89Å; R157-D159 VanDerWaalsContact C-N 3.3Å; R157-D159 PolarHBondContact O-N 3.06Å; D159-K162 PolarHBondContact O-N 3.43Å; D159-K162 IonicContact OD1-NZ 2.71Å; D159-K162 PolarHBondContact OD1-NZ 3.07Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 2.95Å; D159-I163 PolarHBondContact O-N 3.13Å
160R98.1Very high97.4Very high127 Ų12794.7 Ų94.748%0.47947%0.471SS..Hα-helixtrans-57.5-49.5169.2178.9-158.565-164.9-2.7111.3L156 R157 K162 I163 Q164L156-R160 WeakPolarHBondContact O-CB 3.49Å; L156-R160 PolarHBondContact O-N 2.94Å; R157-R160 PolarHBondContact O-N 2.96Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.23Å; R160-I163 PolarHBondContact O-N 3.38Å; R160-I163 VanDerWaalsContact O-N 3.17Å; R160-Q164 WeakPolarHBondContact O-CG 3.35Å; R160-Q164 PolarHBondContact O-N 3.39Å
161D97.5Very high97.5Very high77 Ų7794.9 Ų94.941%0.41247%0.469SS..Hα-helixtrans-64.5-37-177.8-60.8-15.3000111R157 R158 G165R157-D161 PolarHBondContact O-N 3.46Å; R158-D161 PolarHBondContact O-N 2.94Å; D161-G165 PolarHBondContact O-N 2.97Å
162K97.9Very high97.6Very high117 Ų11793.3 Ų93.351%0.50947%0.468SS..Hα-helixtrans-60.8-49.1170.6-72.7171.6-165.7160.50111.8R158 D159 R160 Q164 G165 F166R158-K162 VanDerWaalsContact O-CG 3.28Å; R158-K162 WeakPolarHBondContact O-CG 3.31Å; R158-K162 PolarHBondContact O-N 3.34Å; D159-K162 PolarHBondContact O-N 3.43Å; D159-K162 IonicContact OD1-NZ 2.71Å; D159-K162 PolarHBondContact OD1-NZ 3.07Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.23Å; K162-Q164 VanDerWaalsContact C-N 3.33Å; K162-Q164 PolarHBondContact O-N 3.31Å; K162-G165 PolarHBondContact O-N 3.39Å; K162-F166 HydrophobicContact CB-CE2 4.43Å; K162-F166 WeakPolarHBondContact O-CD2 3.45Å; K162-F166 PolarHBondContact O-N 3Å
163I97.9Very high97.7Very high111 Ų11192.4 Ų92.457%0.56947%0.467SS*.Hα-helixtrans-60.8-43.9-179.9-70.2166.4000110.5D159 R160 G165 F166 Q167D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 2.95Å; D159-I163 PolarHBondContact O-N 3.13Å; R160-I163 PolarHBondContact O-N 3.38Å; R160-I163 VanDerWaalsContact O-N 3.17Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.07Å; I163-F166 PolarHBondContact O-N 3.12Å; I163-Q167 WeakPolarHBondContact O-CB 3.24Å; I163-Q167 PolarHBondContact O-N 3.11Å
164Q97.5Very high97.8Very high107 Ų10794.5 Ų94.550%0.548%0.478SS..Hα-helixtrans-61.5-41.3175.3-72.5178.6-39.200111.9R160 K162 Q167 A168R160-Q164 WeakPolarHBondContact O-CG 3.35Å; R160-Q164 PolarHBondContact O-N 3.39Å; K162-Q164 VanDerWaalsContact C-N 3.33Å; K162-Q164 PolarHBondContact O-N 3.31Å; Q164-Q167 PolarHBondContact O-N 3.41Å; Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 2.73Å
165G97.6Very high97.9Very high42 Ų4296.2 Ų96.243%0.43349%0.486SS..Hα-helixtrans-61.4-44.1173.400000113D161 K162 I163 K169D161-G165 PolarHBondContact O-N 2.97Å; K162-G165 PolarHBondContact O-N 3.39Å; I163-G165 VanDerWaalsContact C-N 3.33Å; I163-G165 PolarHBondContact O-N 3.07Å; G165-K169 WeakPolarHBondContact O-CB 3.44Å; G165-K169 PolarHBondContact O-N 3.47Å
166F97.7Very high98Very high151 Ų15196.8 Ų96.866%0.66250%0.496SS*.Hα-helixtrans-65.1-39.9175.2-77.5-63.7000112.5K162 I163 K169 G170K162-F166 HydrophobicContact CB-CE2 4.43Å; K162-F166 WeakPolarHBondContact O-CD2 3.45Å; K162-F166 PolarHBondContact O-N 3Å; I163-F166 PolarHBondContact O-N 3.12Å; F166-K169 PolarHBondContact O-N 3.39Å; F166-G170 PolarHBondContact O-N 3.02Å
167Q97.6Very high98Very high111 Ų11194.9 Ų94.952%0.51949%0.494SS..Hα-helixtrans-63.6-50.8177.2-176.6-179.7-14.300111I163 Q164 K169 G170 E171I163-Q167 WeakPolarHBondContact O-CB 3.24Å; I163-Q167 PolarHBondContact O-N 3.11Å; Q164-Q167 PolarHBondContact O-N 3.41Å; Q167-K169 VanDerWaalsContact C-N 3.29Å; Q167-K169 PolarHBondContact O-N 3.05Å; Q167-G170 PolarHBondContact O-N 3.12Å; Q167-E171 WeakPolarHBondContact CG-OE1 3.41Å; Q167-E171 PolarHBondContact NE2-OE1 3.42Å; Q167-E171 WeakPolarHBondContact O-CB 3.38Å; Q167-E171 WeakPolarHBondContact O-CG 3.48Å; Q167-E171 PolarHBondContact O-N 2.93Å
168A98Very high98Very high61 Ų6193.4 Ų93.450%0.50450%0.495SS..Hα-helixtrans-60.6-39.7178.400000112Q164 A172Q164-A168 WeakPolarHBondContact O-CB 3.34Å; Q164-A168 PolarHBondContact O-N 2.73Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.25Å
169K98.1Very high98.1Very high133 Ų13390.2 Ų90.258%0.57849%0.492SS*.Hα-helixtrans-64.5-48.1174.7-174.9179.9177.3-176.70111.8G165 F166 Q167 E171 A172 D173G165-K169 WeakPolarHBondContact O-CB 3.44Å; G165-K169 PolarHBondContact O-N 3.47Å; F166-K169 PolarHBondContact O-N 3.39Å; Q167-K169 VanDerWaalsContact C-N 3.29Å; Q167-K169 PolarHBondContact O-N 3.05Å; K169-E171 PolarHBondContact O-N 3.46Å; K169-A172 PolarHBondContact O-N 2.87Å; K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 2.98Å
170G98.2Very high98.1Very high28 Ų2893.6 Ų93.629%0.28950%0.504SS..Hα-helixtrans-62.1-40.6178.700000112.8F166 Q167 D173 I174F166-G170 PolarHBondContact O-N 3.02Å; Q167-G170 PolarHBondContact O-N 3.12Å; G170-D173 PolarHBondContact O-N 3.31Å; G170-I174 WeakPolarHBondContact O-CB 3.49Å; G170-I174 VanDerWaalsContact O-CG1 3.25Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.38Å
171E98.3Very high98.1Very high104 Ų10492.4 Ų92.449%0.48651%0.506SS..Hα-helixtrans-61.5-43.9173.7-75.4175.4-166.100111.6Q167 K169 I174 L175Q167-E171 WeakPolarHBondContact CG-OE1 3.41Å; Q167-E171 PolarHBondContact NE2-OE1 3.42Å; Q167-E171 WeakPolarHBondContact O-CB 3.38Å; Q167-E171 WeakPolarHBondContact O-CG 3.48Å; Q167-E171 PolarHBondContact O-N 2.93Å; K169-E171 PolarHBondContact O-N 3.46Å; E171-I174 PolarHBondContact O-N 3.47Å; E171-L175 WeakPolarHBondContact O-CB 3.5Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 3.45Å
172A98.3Very high98.1Very high56 Ų5693.2 Ų93.246%0.46351%0.508SS..Hα-helixtrans-63.4-43.7175.600000112.5A168 K169 I174 L175 A176A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.25Å; K169-A172 PolarHBondContact O-N 2.87Å; A172-I174 PolarHBondContact O-N 3.32Å; A172-L175 PolarHBondContact O-N 3.39Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.89Å
173D98.5Very high98.1Very high97 Ų9793.2 Ų93.252%0.51951%0.51SS..Hα-helixtrans-63.1-41.2177.9-69.8-21000111.3K169 G170 A176 A177K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 2.98Å; G170-D173 PolarHBondContact O-N 3.31Å; D173-A176 PolarHBondContact O-N 2.96Å; D173-A177 PolarHBondContact O-N 3.39Å
174I98.4Very high98.1Very high107 Ų10792.7 Ų92.755%0.54951%0.505SS..Hα-helixtrans-64.7-45.8175.3-69.9166.4000111G170 E171 A172 A176 A177 L178G170-I174 WeakPolarHBondContact O-CB 3.49Å; G170-I174 VanDerWaalsContact O-CG1 3.25Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.38Å; E171-I174 PolarHBondContact O-N 3.47Å; A172-I174 PolarHBondContact O-N 3.32Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.93Å; I174-A177 PolarHBondContact O-N 3.36Å; I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.36Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3Å
175L98.3Very high98.2Very high111 Ų11195.6 Ų95.658%0.58151%0.511SS*.Hα-helixtrans-62.9-38.6178.2-75.2170.6000112E171 A172 L178 T179E171-L175 WeakPolarHBondContact O-CB 3.5Å; E171-L175 WeakPolarHBondContact O-CG 3.42Å; E171-L175 PolarHBondContact O-N 3.45Å; A172-L175 PolarHBondContact O-N 3.39Å; L175-L178 PolarHBondContact O-N 3.01Å; L175-T179 WeakPolarHBondContact O-CB 3.08Å; L175-T179 PolarHBondContact O-N 2.95Å; L175-T179 PolarHBondContact O-OG1 3.4Å
176A98.3Very high98.2Very high61 Ų6199.4 Ų99.450%0.50452%0.518SS..Hα-helixtrans-63.5-43.8174.200000111.6A172 D173 I174 T179 K180A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.89Å; D173-A176 PolarHBondContact O-N 2.96Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.93Å; A176-T179 PolarHBondContact O-N 3.15Å; A176-K180 PolarHBondContact O-N 3.04Å
177A98.4Very high98.2Very high54 Ų5499.3 Ų99.345%0.44651%0.514SS..Hα-helixtrans-62.9-43.7175.900000112.4D173 I174 T179 K180 L181D173-A177 PolarHBondContact O-N 3.39Å; I174-A177 PolarHBondContact O-N 3.36Å; A177-T179 VanDerWaalsContact C-N 3.35Å; A177-T179 PolarHBondContact O-N 3.17Å; A177-K180 PolarHBondContact O-N 3.27Å; A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 3.04Å
178L98.6Very high98.2Very high100 Ų10098.6 Ų98.652%0.52451%0.513SS..Hα-helixtrans-63.3-39.1176.3-71.7173.1000112.3I174 L175 L181 Q182I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.36Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3Å; L175-L178 PolarHBondContact O-N 3.01Å; L178-L181 PolarHBondContact O-N 3.15Å; L178-Q182 PolarHBondContact O-N 3Å
179T98.4Very high98.2Very high79 Ų79100.1 Ų100.149%0.48552%0.515SS..Hα-helixtrans-62.1-45.8175.5-56.50000110.7L175 A176 A177 L181 Q182 E183L175-T179 WeakPolarHBondContact O-CB 3.08Å; L175-T179 PolarHBondContact O-N 2.95Å; L175-T179 PolarHBondContact O-OG1 3.4Å; A176-T179 PolarHBondContact O-N 3.15Å; A177-T179 VanDerWaalsContact C-N 3.35Å; A177-T179 PolarHBondContact O-N 3.17Å; T179-L181 PolarHBondContact O-N 3.42Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 2.82Å; T179-Q182 VanDerWaalsContact O-N 3.11Å; T179-E183 WeakPolarHBondContact O-CG 3.45Å; T179-E183 PolarHBondContact O-N 2.7Å
180K98.3Very high98.2Very high131 Ų13196.3 Ų96.357%0.5751%0.509SS*.Hα-helixtrans-60.7-42.1176.2-173176.6-178178.50112.6A176 A177 Q182 E183 Q184A176-K180 PolarHBondContact O-N 3.04Å; A177-K180 PolarHBondContact O-N 3.27Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.77Å; K180-E183 PolarHBondContact O-N 3.32Å; K180-Q184 WeakPolarHBondContact O-CG 3.34Å; K180-Q184 PolarHBondContact O-N 3.09Å
181L98.3Very high98.2Very high102 Ų10299 Ų9953%0.53451%0.514SS..Hα-helixtrans-63.2-36.9175.1-71176.7000111.9A177 L178 T179 Q184 R185A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 3.04Å; L178-L181 PolarHBondContact O-N 3.15Å; T179-L181 PolarHBondContact O-N 3.42Å; L181-Q184 PolarHBondContact O-N 2.99Å; L181-R185 WeakPolarHBondContact O-CB 3.4Å; L181-R185 PolarHBondContact O-N 3.06Å
182Q98.3Very high98.1Very high94 Ų9499.2 Ų99.244%0.43951%0.513SS..Hα-helixtrans-68.2-39.1176.7-176.262.910.300112.2L178 T179 K180 R185 Q186L178-Q182 PolarHBondContact O-N 3Å; T179-Q182 WeakPolarHBondContact O-CB 3.38Å; T179-Q182 PolarHBondContact O-N 2.82Å; T179-Q182 VanDerWaalsContact O-N 3.11Å; K180-Q182 VanDerWaalsContact C-N 3.29Å; K180-Q182 PolarHBondContact O-N 2.77Å; Q182-R185 WeakPolarHBondContact O-CB 3.34Å; Q182-R185 PolarHBondContact O-N 2.86Å; Q182-Q186 WeakPolarHBondContact O-CG 3.26Å; Q182-Q186 PolarHBondContact O-N 3.31Å
183E98Very high98.1Very high117 Ų117102.7 Ų102.755%0.54752%0.518SS..Hα-helixtrans-61.4-46.6172.4-70.4170.3178.500111.3T179 K180 R185 Q186 Y187T179-E183 WeakPolarHBondContact O-CG 3.45Å; T179-E183 PolarHBondContact O-N 2.7Å; K180-E183 PolarHBondContact O-N 3.32Å; E183-R185 VanDerWaalsContact C-N 3.31Å; E183-R185 PolarHBondContact O-N 2.75Å; E183-Q186 WeakPolarHBondContact O-CB 3.11Å; E183-Q186 PolarHBondContact O-N 2.82Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; E183-Y187 PolarHBondContact O-N 2.95Å
184Q98Very high98Very high100 Ų100104.1 Ų104.147%0.46752%0.522SS..Hα-helixtrans-60.3-40.5175.8-72.1178.4-38.600112.1K180 L181 Q186 Y187 I188K180-Q184 WeakPolarHBondContact O-CG 3.34Å; K180-Q184 PolarHBondContact O-N 3.09Å; L181-Q184 PolarHBondContact O-N 2.99Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Q186 PolarHBondContact O-N 3.28Å; Q184-Y187 WeakPolarHBondContact O-CB 3.32Å; Q184-Y187 PolarHBondContact O-N 3.42Å; Q184-I188 WeakPolarHBondContact O-CG1 3.33Å; Q184-I188 PolarHBondContact O-N 3.3Å
185R98.4Very high97.9Very high169 Ų169100.5 Ų100.564%0.63851%0.511SS*.Hα-helixtrans-60.1-43.8174.3-179.2-179.4-179.4141.73.6111.9L181 Q182 E183 V189L181-R185 WeakPolarHBondContact O-CB 3.4Å; L181-R185 PolarHBondContact O-N 3.06Å; Q182-R185 WeakPolarHBondContact O-CB 3.34Å; Q182-R185 PolarHBondContact O-N 2.86Å; E183-R185 VanDerWaalsContact C-N 3.31Å; E183-R185 PolarHBondContact O-N 2.75Å; R185-V189 WeakPolarHBondContact O-CG2 3.4Å; R185-V189 PolarHBondContact O-N 3.44Å
186Q98.2Very high97.8Very high121 Ų121101 Ų10157%0.56551%0.51SS*.Hα-helixtrans-64.7-41.5177.6-72.6175.9-6.900111.6Q182 E183 Q184 V189 A190Q182-Q186 WeakPolarHBondContact O-CG 3.26Å; Q182-Q186 PolarHBondContact O-N 3.31Å; E183-Q186 WeakPolarHBondContact O-CB 3.11Å; E183-Q186 PolarHBondContact O-N 2.82Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Q186 PolarHBondContact O-N 3.28Å; Q186-V189 PolarHBondContact O-N 2.79Å; Q186-A190 WeakPolarHBondContact O-CB 3.36Å; Q186-A190 PolarHBondContact O-N 2.79Å
187Y97.7Very high97.8Very high149 Ų149103 Ų10358%0.58451%0.509SS*.Hα-helixtrans-58.1-52.2175.4-178.1-94.8000111.6E183 Q184 V189 A190 E191E183-Y187 PolarHBondContact O-N 2.95Å; Q184-Y187 WeakPolarHBondContact O-CB 3.32Å; Q184-Y187 PolarHBondContact O-N 3.42Å; Y187-V189 VanDerWaalsContact C-N 3.32Å; Y187-V189 PolarHBondContact O-N 3.48Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 3.29Å; Y187-A190 VanDerWaalsContact O-N 3.07Å; Y187-E191 HydrophobicContact CD1-CG 3.96Å; Y187-E191 HydrophobicContact CE1-CG 3.52Å; Y187-E191 HydrophobicContact CE2-CG 4.14Å; Y187-E191 HydrophobicContact CG-CG 4.43Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.36Å
188I97.3Very high97.7Very high97 Ų97106.4 Ų106.450%0.49751%0.514SS..Hα-helixtrans-55-48.4178.3-67.3164.7000110.9Q184 A190 E191 F192Q184-I188 WeakPolarHBondContact O-CG1 3.33Å; Q184-I188 PolarHBondContact O-N 3.3Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.39Å; I188-E191 PolarHBondContact O-N 3.22Å; I188-F192 HydrophobicContact CG2-CD2 3.99Å; I188-F192 HydrophobicContact CG2-CE2 4.18Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.29Å; I188-F192 VanDerWaalsContact O-N 3.13Å
189V98.3Very high97.6Very high92 Ų92105.2 Ų105.256%0.55851%0.508SS*.Hα-helixtrans-63.3-37.3-179.9172.90000111.8R185 Q186 Y187 K193R185-V189 WeakPolarHBondContact O-CG2 3.4Å; R185-V189 PolarHBondContact O-N 3.44Å; Q186-V189 PolarHBondContact O-N 2.79Å; Y187-V189 VanDerWaalsContact C-N 3.32Å; Y187-V189 PolarHBondContact O-N 3.48Å; V189-K193 VanDerWaalsContact O-CB 3.26Å; V189-K193 WeakPolarHBondContact O-CB 3.47Å; V189-K193 PolarHBondContact O-N 3.09Å
190A98.2Very high97.6Very high54 Ų54108.8 Ų108.845%0.44652%0.517SS..Hα-helixtrans-67.8-46.8178.300000112.2Q186 Y187 I188 K193 Q194Q186-A190 WeakPolarHBondContact O-CB 3.36Å; Q186-A190 PolarHBondContact O-N 2.79Å; Y187-A190 WeakPolarHBondContact O-CB 3.34Å; Y187-A190 PolarHBondContact O-N 3.29Å; Y187-A190 VanDerWaalsContact O-N 3.07Å; I188-A190 VanDerWaalsContact C-N 3.31Å; I188-A190 PolarHBondContact O-N 3.39Å; A190-K193 WeakPolarHBondContact O-CB 3.47Å; A190-K193 PolarHBondContact O-N 3.46Å; A190-Q194 PolarHBondContact O-N 2.92Å
191E97.1Very high97.6Very high85 Ų85109.4 Ų109.440%0.39752%0.519SS..Hα-helixtrans-58-51178.1-70.8-57.8127.700111.5Y187 I188 K193 Q194 G195Y187-E191 HydrophobicContact CD1-CG 3.96Å; Y187-E191 HydrophobicContact CE1-CG 3.52Å; Y187-E191 HydrophobicContact CE2-CG 4.14Å; Y187-E191 HydrophobicContact CG-CG 4.43Å; Y187-E191 WeakPolarHBondContact O-CG 3.47Å; Y187-E191 PolarHBondContact O-N 3.36Å; I188-E191 PolarHBondContact O-N 3.22Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 2.87Å; E191-Q194 PolarHBondContact O-N 3.45Å; E191-G195 PolarHBondContact O-N 3.04Å
192F96.9Very high97.4Very high107 Ų107110.1 Ų110.147%0.46952%0.515SS..Hα-helixtrans-65-35.4178.2-85.9-85.3000112.5I188 Q194 G195 H196I188-F192 HydrophobicContact CG2-CD2 3.99Å; I188-F192 HydrophobicContact CG2-CE2 4.18Å; I188-F192 WeakPolarHBondContact O-CD2 3.43Å; I188-F192 PolarHBondContact O-N 3.29Å; I188-F192 VanDerWaalsContact O-N 3.13Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.34Å; F192-G195 PolarHBondContact O-N 3.36Å; F192-H196 WeakPolarHBondContact O-CB 3.5Å; F192-H196 PolarHBondContact O-N 3Å; F192-H196 PolarHBondContact O-ND1 2.84Å
193K98.1Very high97.4Very high130 Ų130111.5 Ų111.557%0.56552%0.522SS*.Hα-helixtrans-61.8-42.5174.7-178.2-178.1177.9-175.20111.3V189 A190 E191 Q197V189-K193 VanDerWaalsContact O-CB 3.26Å; V189-K193 WeakPolarHBondContact O-CB 3.47Å; V189-K193 PolarHBondContact O-N 3.09Å; A190-K193 WeakPolarHBondContact O-CB 3.47Å; A190-K193 PolarHBondContact O-N 3.46Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 2.87Å; K193-Q197 WeakPolarHBondContact O-CB 3.31Å; K193-Q197 VanDerWaalsContact O-CG 3.25Å; K193-Q197 WeakPolarHBondContact O-CG 3.36Å; K193-Q197 PolarHBondContact O-N 3Å
194Q97.3Very high97.3Very high126 Ų126110.9 Ų110.959%0.58952%0.518SS*.Hα-helixtrans-64.1-46.2176.2-176.8175.60.900111.3A190 E191 F192 Q197 F198A190-Q194 PolarHBondContact O-N 2.92Å; E191-Q194 PolarHBondContact O-N 3.45Å; F192-Q194 VanDerWaalsContact C-N 3.33Å; F192-Q194 PolarHBondContact O-N 3.34Å; Q194-Q197 PolarHBondContact O-N 2.8Å; Q194-F198 PolarHBondContact O-N 3.43Å
195G95.8Very high97.3Very high32 Ų32110 Ų11033%0.3351%0.514SS..Hα-helixtrans-57.9-49.917600000113E191 F192 Q197 F198 L199E191-G195 PolarHBondContact O-N 3.04Å; F192-G195 PolarHBondContact O-N 3.36Å; G195-Q197 VanDerWaalsContact C-N 3.33Å; G195-Q197 PolarHBondContact O-N 3.11Å; G195-F198 WeakPolarHBondContact O-CB 3.31Å; G195-F198 PolarHBondContact O-N 3.36Å; G195-L199 WeakPolarHBondContact O-CG 3.3Å; G195-L199 PolarHBondContact O-N 3.48Å
196H97Very high97.2Very high122 Ų122103.3 Ų103.357%0.56549%0.491SS*.Hα-helixtrans-59.9-41.2176.5-67139.4000112.6F192 K200F192-H196 WeakPolarHBondContact O-CB 3.5Å; F192-H196 PolarHBondContact O-N 3Å; F192-H196 PolarHBondContact O-ND1 2.84Å; H196-K200 VanDerWaalsContact O-CB 3.26Å; H196-K200 WeakPolarHBondContact O-CB 3.16Å; H196-K200 PolarHBondContact O-N 2.96Å
197Q97.9Very high97.2Very high101 Ų101101.9 Ų101.947%0.47249%0.487SS..Hα-helixtrans-65.2-40.1177.1-75.8178.5-0.500112.1K193 Q194 G195 K201K193-Q197 WeakPolarHBondContact O-CB 3.31Å; K193-Q197 VanDerWaalsContact O-CG 3.25Å; K193-Q197 WeakPolarHBondContact O-CG 3.36Å; K193-Q197 PolarHBondContact O-N 3Å; Q194-Q197 PolarHBondContact O-N 2.8Å; G195-Q197 VanDerWaalsContact C-N 3.33Å; G195-Q197 PolarHBondContact O-N 3.11Å; Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.33Å; Q197-K201 PolarHBondContact O-N 3.28Å; Q197-K201 VanDerWaalsContact O-N 3.13Å
198F96.9Very high97.1Very high126 Ų12698.6 Ų98.655%0.55348%0.48SS*.Hα-helixtrans-61.7-53.1175172.1-96.7000111Q194 G195 K200 K201 R202Q194-F198 PolarHBondContact O-N 3.43Å; G195-F198 WeakPolarHBondContact O-CB 3.31Å; G195-F198 PolarHBondContact O-N 3.36Å; F198-K200 PolarHBondContact O-N 3Å; F198-K201 PolarHBondContact O-N 3.49Å; F198-K201 VanDerWaalsContact O-N 3.16Å; F198-R202 HydrophobicContact CD1-CG 4.37Å; F198-R202 HydrophobicContact CD2-CG 4.42Å; F198-R202 HydrophobicContact CE1-CG 3.94Å; F198-R202 HydrophobicContact CE2-CG 4Å; F198-R202 HydrophobicContact CZ-CG 3.74Å; F198-R202 WeakPolarHBondContact O-CG 2.95Å; F198-R202 PolarHBondContact O-N 3.31Å
199L96Very high97Very high76 Ų7696.1 Ų96.140%0.39847%0.466SS..Hα-helixtrans-59.5-45.8-179.3-69.1177.2000111.6G195 K201 R202 E203 L303G195-L199 WeakPolarHBondContact O-CG 3.3Å; G195-L199 PolarHBondContact O-N 3.48Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.41Å; L199-R202 PolarHBondContact O-N 3.08Å; L199-R202 VanDerWaalsContact O-N 3.12Å; L199-E203 WeakPolarHBondContact O-CB 3.45Å; L199-E203 PolarHBondContact O-N 3.18Å; L199-L303 HydrophobicContact CD2-CD2 4.04Å
200K97.7Very high96.9Very high154 Ų15494.9 Ų94.967%0.6746%0.456SS*.Hα-helixtrans-59.2-39.9176.8-174.2175.3-176.51750113H196 F198 Q204H196-K200 VanDerWaalsContact O-CB 3.26Å; H196-K200 WeakPolarHBondContact O-CB 3.16Å; H196-K200 PolarHBondContact O-N 2.96Å; F198-K200 PolarHBondContact O-N 3Å; K200-Q204 PolarHBondContact O-N 3.41Å; K200-Q204 VanDerWaalsContact O-N 3.12Å
201K97.7Very high96.9Very high144 Ų14494.6 Ų94.663%0.62645%0.453SS*.Hα-helixtrans-68.6-36.1176.6-75.4177.9-178.3-1780112.2Q197 F198 L199 H205Q197-K201 VanDerWaalsContact O-CG 3.31Å; Q197-K201 WeakPolarHBondContact O-CG 3.33Å; Q197-K201 PolarHBondContact O-N 3.28Å; Q197-K201 VanDerWaalsContact O-N 3.13Å; F198-K201 PolarHBondContact O-N 3.49Å; F198-K201 VanDerWaalsContact O-N 3.16Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.41Å; K201-H205 WeakPolarHBondContact O-CB 3.26Å; K201-H205 PolarHBondContact O-N 3.24Å; K201-H205 VanDerWaalsContact O-N 3.17Å
202R95.3Very high96.8Very high116 Ų11694.2 Ų94.244%0.43846%0.457SS..Hα-helixtrans-72.4-41.7177.3-67.3-62.486.51780.4111.6F198 L199 H205 L206F198-R202 HydrophobicContact CD1-CG 4.37Å; F198-R202 HydrophobicContact CD2-CG 4.42Å; F198-R202 HydrophobicContact CE1-CG 3.94Å; F198-R202 HydrophobicContact CE2-CG 4Å; F198-R202 HydrophobicContact CZ-CG 3.74Å; F198-R202 WeakPolarHBondContact O-CG 2.95Å; F198-R202 PolarHBondContact O-N 3.31Å; L199-R202 PolarHBondContact O-N 3.08Å; L199-R202 VanDerWaalsContact O-N 3.12Å; R202-H205 PolarHBondContact O-N 2.8Å; R202-L206 WeakPolarHBondContact O-CG 3.41Å; R202-L206 PolarHBondContact O-N 2.8Å
203E96.8Very high96.7Very high124 Ų12490.1 Ų90.158%0.57944%0.44SS*.Hα-helixtrans-54.4-53.9172.6-179-176.2-172.900110.9L199 H205 L206 L207L199-E203 WeakPolarHBondContact O-CB 3.45Å; L199-E203 PolarHBondContact O-N 3.18Å; E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 3.42Å; E203-L206 PolarHBondContact O-N 2.96Å; E203-L207 HydrophobicContact CG-CD1 4.27Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.3Å
204Q97.8Very high96.6Very high103 Ų10389.3 Ų89.348%0.48144%0.438SS..Hα-helixtrans-59.2-42.5177.9-171.76353.900112.3K200 L206 L207 D208K200-Q204 PolarHBondContact O-N 3.41Å; K200-Q204 VanDerWaalsContact O-N 3.12Å; Q204-L206 VanDerWaalsContact C-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.78Å; Q204-L207 PolarHBondContact O-N 2.79Å; Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 PolarHBondContact O-N 2.84Å
205H96.6Very high96.6Very high81 Ų8188.7 Ų88.738%0.37544%0.435SS..Hα-helixtrans-62.5-34.6179.6176.458.7000113.6K201 R202 E203 Q209K201-H205 WeakPolarHBondContact O-CB 3.26Å; K201-H205 PolarHBondContact O-N 3.24Å; K201-H205 VanDerWaalsContact O-N 3.17Å; R202-H205 PolarHBondContact O-N 2.8Å; E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 3.42Å; H205-Q209 PolarHBondContact CD2-NE2 2.87Å; H205-Q209 VanDerWaalsContact CD2-NE2 3.29Å; H205-Q209 PolarHBondContact CE1-NE2 2.7Å; H205-Q209 PolarHBondContact NE2-NE2 2.71Å; H205-Q209 PolarHBondContact O-N 2.83Å; H205-Q209 PolarHBondContact O-NE2 2.84Å
206L96.5Very high96.5Very high29 Ų2989.6 Ų89.615%0.15243%0.432CS..Hα-helixtrans-74-39.5175.3-69.5169000111.4R202 E203 Q204 D208 Q209 L210 F292 L299R202-L206 WeakPolarHBondContact O-CG 3.41Å; R202-L206 PolarHBondContact O-N 2.8Å; E203-L206 PolarHBondContact O-N 2.96Å; Q204-L206 VanDerWaalsContact C-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.78Å; L206-D208 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 2.94Å; L206-Q209 PolarHBondContact O-N 3.41Å; L206-L210 PolarHBondContact O-N 2.76Å; L206-F292 HydrophobicContact CD2-CE2 4.14Å; L206-F292 WeakPolarHBondContact O-CE2 3.45Å; L206-F292 WeakPolarHBondContact O-CZ 3.09Å; L206-L299 HydrophobicContact CD1-CD2 3.61Å
207L97.4Very high96.3Very high91 Ų9187.4 Ų87.448%0.47642%0.424SS..Hα-helixtrans-62.1-40.5173.7-67.8172.7000111.8E203 Q204 Q209 L210 A211E203-L207 HydrophobicContact CG-CD1 4.27Å; E203-L207 WeakPolarHBondContact O-CG 3.35Å; E203-L207 PolarHBondContact O-N 3.3Å; Q204-L207 PolarHBondContact O-N 2.79Å; L207-Q209 PolarHBondContact O-N 2.92Å; L207-L210 PolarHBondContact O-N 3.44Å; L207-A211 WeakPolarHBondContact O-CB 3.23Å; L207-A211 PolarHBondContact O-N 2.82Å
208D97.4Very high96.2Very high81 Ų8186.6 Ų86.643%0.43343%0.426SS..Hα-helixtrans-65.3-38177-63.4-20.2000111.9Q204 L206 T212Q204-D208 PolarHBondContact NE2-OD1 3.05Å; Q204-D208 PolarHBondContact O-N 2.84Å; L206-D208 VanDerWaalsContact C-N 3.33Å; L206-D208 PolarHBondContact O-N 2.94Å; D208-T212 PolarHBondContact O-N 2.8Å; D208-T212 VanDerWaalsContact O-N 3.09Å; D208-T212 PolarHBondContact O-OG1 3.47Å
209Q95.4Very high96Very high45 Ų4584.6 Ų84.621%0.2142%0.418CS..Hα-helixtrans-64-43.6173-83.3174.778.800111.6H205 L206 L207 T212 L213 F292H205-Q209 PolarHBondContact CD2-NE2 2.87Å; H205-Q209 VanDerWaalsContact CD2-NE2 3.29Å; H205-Q209 PolarHBondContact CE1-NE2 2.7Å; H205-Q209 PolarHBondContact NE2-NE2 2.71Å; H205-Q209 PolarHBondContact O-N 2.83Å; H205-Q209 PolarHBondContact O-NE2 2.84Å; L206-Q209 PolarHBondContact O-N 3.41Å; L207-Q209 PolarHBondContact O-N 2.92Å; Q209-T212 WeakPolarHBondContact O-CB 3.43Å; Q209-T212 PolarHBondContact O-N 2.86Å; Q209-L213 PolarHBondContact O-N 2.97Å; Q209-L213 VanDerWaalsContact O-N 3.14Å; Q209-F292 HydrophobicContact CB-CD2 4.12Å; Q209-F292 HydrophobicContact CB-CE2 3.75Å
210L95.6Very high95.7Very high66 Ų6681.9 Ų81.935%0.34641%0.409SS..Hα-helixtrans-64-44177.7-171.561.9000111.4L206 L207 T212 L213 E214 F292L206-L210 PolarHBondContact O-N 2.76Å; L207-L210 PolarHBondContact O-N 3.44Å; L210-T212 PolarHBondContact O-N 3.08Å; L210-L213 WeakPolarHBondContact O-CB 2.87Å; L210-L213 PolarHBondContact O-N 2.79Å; L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 2.77Å; L210-F292 HydrophobicContact CB-CE1 4.27Å; L210-F292 HydrophobicContact CB-CZ 3.91Å; L210-F292 HydrophobicContact CD1-CD1 4.29Å; L210-F292 HydrophobicContact CD1-CE1 3.83Å; L210-F292 HydrophobicContact CD1-CZ 4.33Å; L210-F292 HydrophobicContact CG-CE1 4.47Å
211A97.3Very high95.5Very high48 Ų4883.1 Ų83.140%0.39741%0.409SS..Hα-helixtrans-59.3-35175.200000112.4L207 E214 Q215L207-A211 WeakPolarHBondContact O-CB 3.23Å; L207-A211 PolarHBondContact O-N 2.82Å; A211-E214 PolarHBondContact O-N 2.63Å; A211-Q215 WeakPolarHBondContact O-CB 3.32Å; A211-Q215 PolarHBondContact O-N 3.19Å
212T96Very high95.2Very high77 Ų7780.7 Ų80.747%0.47240%0.4SS..Hα-helixtrans-65.6-42.2174.6-55.90000111.4D208 Q209 L210 Q215 L216D208-T212 PolarHBondContact O-N 2.8Å; D208-T212 VanDerWaalsContact O-N 3.09Å; D208-T212 PolarHBondContact O-OG1 3.47Å; Q209-T212 WeakPolarHBondContact O-CB 3.43Å; Q209-T212 PolarHBondContact O-N 2.86Å; L210-T212 PolarHBondContact O-N 3.08Å; T212-Q215 PolarHBondContact O-N 3.27Å; T212-L216 WeakPolarHBondContact O-CG 3.25Å; T212-L216 PolarHBondContact O-N 2.77Å
213L95.2Very high95Very high20 Ų2082.1 Ų82.111%0.10541%0.41CS..Hα-helixtrans-65.2-42.1175.1-69.7173.9000112Q209 L210 Q215 L216 L217 K288 F292Q209-L213 PolarHBondContact O-N 2.97Å; Q209-L213 VanDerWaalsContact O-N 3.14Å; L210-L213 WeakPolarHBondContact O-CB 2.87Å; L210-L213 PolarHBondContact O-N 2.79Å; L213-Q215 VanDerWaalsContact C-N 3.32Å; L213-Q215 PolarHBondContact O-N 2.83Å; L213-L216 PolarHBondContact O-N 3.34Å; L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.24Å; L213-K288 HydrophobicContact CD2-CB 3.66Å; L213-K288 HydrophobicContact CD2-CD 4.4Å; L213-F292 HydrophobicContact CD1-CB 4.02Å; L213-F292 HydrophobicContact CD1-CG 4.19Å
214E96Very high94.6Very high114 Ų11479.6 Ų79.653%0.53340%0.397SS..Hα-helixtrans-60.3-41.6174.7-71.3178.9160.800111.9L210 A211 L217 T218L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 2.77Å; A211-E214 PolarHBondContact O-N 2.63Å; E214-L217 PolarHBondContact O-N 3.01Å; E214-T218 WeakPolarHBondContact O-CB 3.49Å; E214-T218 PolarHBondContact O-N 3.07Å; E214-T218 PolarHBondContact O-OG1 2.71Å
215Q95.8Very high94.3Very high113 Ų11380.7 Ų80.753%0.52840%0.4SS..Hα-helixtrans-63.5-47.2176-177.1177.1-8.600111.5A211 T212 L213 L217 T218 E219A211-Q215 WeakPolarHBondContact O-CB 3.32Å; A211-Q215 PolarHBondContact O-N 3.19Å; T212-Q215 PolarHBondContact O-N 3.27Å; L213-Q215 VanDerWaalsContact C-N 3.32Å; L213-Q215 PolarHBondContact O-N 2.83Å; Q215-L217 VanDerWaalsContact C-N 3.3Å; Q215-L217 PolarHBondContact O-N 3.44Å; Q215-T218 PolarHBondContact O-N 3.5Å; Q215-T218 VanDerWaalsContact O-N 3.13Å; Q215-E219 HydrophobicContact CG-CG 4.41Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.37Å; Q215-E219 PolarHBondContact NE2-OE1 2.93Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.45Å
216L93.9Very high94.1Very high51 Ų5180.7 Ų80.727%0.26741%0.406SS..Hα-helixtrans-59.1-40.9177.1-73.2173.2000112.1T212 L213 G220 V285T212-L216 WeakPolarHBondContact O-CG 3.25Å; T212-L216 PolarHBondContact O-N 2.77Å; L213-L216 PolarHBondContact O-N 3.34Å; L216-G220 PolarHBondContact O-N 3.38Å; L216-V285 HydrophobicContact CB-CG2 4.36Å
217L93.7Very high93.8Very high76 Ų7686.1 Ų86.140%0.39842%0.424SS..Hα-helixtrans-66.3-40.2175.2-75.6170.3000112.2L213 E214 Q215 G220 R221 I281 V285L213-L217 WeakPolarHBondContact O-CG 3.27Å; L213-L217 PolarHBondContact O-N 3.24Å; E214-L217 PolarHBondContact O-N 3.01Å; Q215-L217 VanDerWaalsContact C-N 3.3Å; Q215-L217 PolarHBondContact O-N 3.44Å; L217-G220 PolarHBondContact O-N 3.07Å; L217-R221 VanDerWaalsContact O-CB 3.29Å; L217-R221 WeakPolarHBondContact O-CB 3.49Å; L217-R221 PolarHBondContact O-N 2.86Å; L217-I281 HydrophobicContact CD2-CD1 4.4Å; L217-I281 HydrophobicContact CD2-CG1 4.24Å; L217-I281 HydrophobicContact CD2-CG2 3.91Å; L217-V285 HydrophobicContact CD2-CG1 3.63Å; L217-V285 HydrophobicContact CG-CG1 3.83Å
218T94.7Very high93.3Very high84 Ų8482.6 Ų82.652%0.51541%0.41SS..Hα-helixtrans-66.4-45.9179.1-57.50000111.3E214 Q215 R221 E222E214-T218 WeakPolarHBondContact O-CB 3.49Å; E214-T218 PolarHBondContact O-N 3.07Å; E214-T218 PolarHBondContact O-OG1 2.71Å; Q215-T218 PolarHBondContact O-N 3.5Å; Q215-T218 VanDerWaalsContact O-N 3.13Å; T218-R221 WeakPolarHBondContact O-CB 3.32Å; T218-R221 PolarHBondContact O-N 3.21Å; T218-E222 PolarHBondContact O-N 3.46Å; T218-E222 VanDerWaalsContact O-N 3.16Å
219E92.6Very high93.1Very high83 Ų8382.2 Ų82.239%0.38841%0.41SS..Hα-helixtrans-64.3-42.5174.9-69.7176.9-169.100111.7Q215 R221 E222 K223Q215-E219 HydrophobicContact CG-CG 4.41Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.37Å; Q215-E219 PolarHBondContact NE2-OE1 2.93Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.45Å; E219-R221 VanDerWaalsContact C-N 3.33Å; E219-R221 PolarHBondContact O-N 3.1Å; E219-E222 PolarHBondContact O-N 2.97Å; E219-K223 WeakPolarHBondContact O-CG 3.34Å; E219-K223 PolarHBondContact O-N 2.9Å; E219-K223 VanDerWaalsContact O-N 3.1Å
220G91.1Very high92.8Very high19 Ų1983.6 Ų83.620%0.19643%0.425CS..Hα-helixtrans-59.8-41.6174.600000112.5L216 L217 K223 F224L216-G220 PolarHBondContact O-N 3.38Å; L217-G220 PolarHBondContact O-N 3.07Å; G220-K223 PolarHBondContact O-N 3.47Å; G220-F224 VanDerWaalsContact O-CB 3.3Å; G220-F224 WeakPolarHBondContact O-CB 3.47Å; G220-F224 PolarHBondContact O-N 3.42Å
221R92.7Very high92.4Very high181 Ų18182.9 Ų82.968%0.68342%0.42SS*.Hα-helixtrans-61.7-45.5176.8-179-174.8-178.7-167.71.4112.4L217 T218 E219 F224 K225L217-R221 VanDerWaalsContact O-CB 3.29Å; L217-R221 WeakPolarHBondContact O-CB 3.49Å; L217-R221 PolarHBondContact O-N 2.86Å; T218-R221 WeakPolarHBondContact O-CB 3.32Å; T218-R221 PolarHBondContact O-N 3.21Å; E219-R221 VanDerWaalsContact C-N 3.33Å; E219-R221 PolarHBondContact O-N 3.1Å; R221-F224 PolarHBondContact O-N 3.44Å; R221-K225 WeakPolarHBondContact O-CB 3.31Å; R221-K225 PolarHBondContact O-N 3.47Å
222E92.2Very high92Very high93 Ų9385.9 Ų85.944%0.43543%0.428SS..Hα-helixtrans-66.3-39.7178.5-69.3-55.1135.800111.7T218 E219 K225 T226T218-E222 PolarHBondContact O-N 3.46Å; T218-E222 VanDerWaalsContact O-N 3.16Å; E219-E222 PolarHBondContact O-N 2.97Å; E222-K225 PolarHBondContact O-N 3.27Å; E222-T226 WeakPolarHBondContact O-CB 3.44Å; E222-T226 WeakPolarHBondContact O-CG2 3.49Å; E222-T226 PolarHBondContact O-N 3.28Å; E222-T226 PolarHBondContact O-OG1 3.01Å
223K89.9Confident91.8Very high146 Ų14687.1 Ų87.164%0.63543%0.432SS*.Hα-helixtrans-62.7-43.3172.7-71175.8-176.2174.60112.1E219 G220 T226 R227E219-K223 WeakPolarHBondContact O-CG 3.34Å; E219-K223 PolarHBondContact O-N 2.9Å; E219-K223 VanDerWaalsContact O-N 3.1Å; G220-K223 PolarHBondContact O-N 3.47Å; K223-T226 WeakPolarHBondContact CA-OG1 3.27Å; K223-T226 PolarHBondContact O-OG1 3.4Å; K223-R227 WeakPolarHBondContact O-CB 3.38Å; K223-R227 PolarHBondContact O-N 3.22Å
224F89.8Confident91.4Very high70 Ų7090.5 Ų90.531%0.30744%0.444SS..Hα-helixtrans-62.4-46.8177.7-172.5-86.2000111.2G220 R221 R227 G228 W276 G278 A280G220-F224 VanDerWaalsContact O-CB 3.3Å; G220-F224 WeakPolarHBondContact O-CB 3.47Å; G220-F224 PolarHBondContact O-N 3.42Å; R221-F224 PolarHBondContact O-N 3.44Å; F224-R227 PolarHBondContact O-N 2.95Å; F224-G228 PolarHBondContact O-N 3.23Å; F224-W276 HydrophobicContact CB-CH2 4.48Å; F224-W276 AromaticContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CZ3 4.41Å; F224-W276 AromaticContact CD2-CH2 3.2Å; F224-W276 HydrophobicContact CD2-CH2 3.2Å; F224-W276 AromaticContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ3 4.26Å; F224-W276 AromaticContact CE1-CH2 3.8Å; F224-W276 HydrophobicContact CE1-CH2 3.8Å; F224-W276 AromaticContact CE1-CZ3 3.97Å; F224-W276 HydrophobicContact CE1-CZ3 3.97Å; F224-W276 AromaticContact CE2-CH2 3.06Å; F224-W276 HydrophobicContact CE2-CH2 3.06Å; F224-W276 AromaticContact CE2-CZ2 3.6Å; F224-W276 HydrophobicContact CE2-CZ2 3.6Å; F224-W276 AromaticContact CE2-CZ3 3.78Å; F224-W276 HydrophobicContact CE2-CZ3 3.78Å; F224-W276 AromaticContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CZ2 4.38Å; F224-W276 AromaticContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CZ2 4.31Å; F224-W276 AromaticContact CZ-CZ3 3.62Å; F224-W276 HydrophobicContact CZ-CZ3 3.62Å; F224-G278 WeakPolarHBondContact CE2-O 3.5Å; F224-A280 HydrophobicContact CD2-CB 4.33Å; F224-A280 HydrophobicContact CE2-CB 4.03Å; F224-A280 HydrophobicContact CZ-CB 4.22Å
225K91.4Very high91Very high127 Ų12786.6 Ų86.655%0.55243%0.426SS*.Hα-helixtrans-61.9-48.3177.9-177.5-175.6175.8-169.90112.1R221 E222 G228 V229R221-K225 WeakPolarHBondContact O-CB 3.31Å; R221-K225 PolarHBondContact O-N 3.47Å; E222-K225 PolarHBondContact O-N 3.27Å; K225-G228 PolarHBondContact O-N 3.5Å; K225-V229 WeakPolarHBondContact O-CG2 3.49Å; K225-V229 PolarHBondContact O-N 2.82Å
226T91.8Very high90.8Very high81 Ų8185 Ų8550%0.49742%0.424SS..Hα-helixtrans-62.3-43.9179.546.10000111.8E222 K223 G228 V229 S230E222-T226 WeakPolarHBondContact O-CB 3.44Å; E222-T226 WeakPolarHBondContact O-CG2 3.49Å; E222-T226 PolarHBondContact O-N 3.28Å; E222-T226 PolarHBondContact O-OG1 3.01Å; K223-T226 WeakPolarHBondContact CA-OG1 3.27Å; K223-T226 PolarHBondContact O-OG1 3.4Å; T226-G228 PolarHBondContact O-N 2.79Å; T226-V229 PolarHBondContact O-N 3.39Å; T226-S230 PolarHBondContact O-N 2.94Å; T226-S230 PolarHBondContact O-OG 2.93Å
227R88.8Confident90.6Very high143 Ų14387.8 Ų87.854%0.5444%0.439SS..Hα-helixtrans-61.8-43.2174.9-170.9168.8-176.5-171.4-0.2112.4K223 F224 S230 E231 W276K223-R227 WeakPolarHBondContact O-CB 3.38Å; K223-R227 PolarHBondContact O-N 3.22Å; F224-R227 PolarHBondContact O-N 2.95Å; R227-S230 PolarHBondContact O-N 3.2Å; R227-E231 PolarHBondContact O-N 3.21Å; R227-W276 HydrophobicContact CB-CH2 4.42Å; R227-W276 HydrophobicContact CB-CZ2 4.31Å; R227-W276 HydrophobicContact CG-CD2 4.25Å; R227-W276 HydrophobicContact CG-CZ2 4.12Å; R227-W276 VanDerWaalsContact NE-CD1 3.31Å; R227-W276 VanDerWaalsContact NH1-NE1 3.19Å
228G88.8Confident90.3Very high17 Ų1786 Ų8618%0.17543%0.431CS..Hα-helixtrans-60.3-44.8175.400000112.8F224 K225 T226 E231 L232F224-G228 PolarHBondContact O-N 3.23Å; K225-G228 PolarHBondContact O-N 3.5Å; T226-G228 PolarHBondContact O-N 2.79Å; G228-E231 PolarHBondContact O-N 2.92Å; G228-L232 VanDerWaalsContact O-CG 3.31Å; G228-L232 WeakPolarHBondContact O-CG 3.4Å; G228-L232 PolarHBondContact O-N 3.04Å
229V91.7Very high90Very high72 Ų7286.1 Ų86.144%0.43643%0.428SS..Hα-helixtrans-61.1-47175.4172.10000111.1K225 T226 E231 L232 D233K225-V229 WeakPolarHBondContact O-CG2 3.49Å; K225-V229 PolarHBondContact O-N 2.82Å; T226-V229 PolarHBondContact O-N 3.39Å; V229-E231 VanDerWaalsContact C-N 3.34Å; V229-E231 PolarHBondContact O-N 3.07Å; V229-L232 PolarHBondContact O-N 2.77Å; V229-D233 PolarHBondContact O-N 3.07Å
230S89.4Confident89.9Confident74 Ų7485.3 Ų85.352%0.51743%0.431SS..Hα-helixtrans-62.2-37.9178.7-60.40000113.4T226 R227 R234T226-S230 PolarHBondContact O-N 2.94Å; T226-S230 PolarHBondContact O-OG 2.93Å; R227-S230 PolarHBondContact O-N 3.2Å; S230-R234 WeakPolarHBondContact O-CB 3.43Å; S230-R234 PolarHBondContact O-N 2.7Å
231E86.8Confident89.7Confident52 Ų5288.6 Ų88.624%0.24344%0.441CS..Hα-helixtrans-70-38.8175.2-75-61.8138.200112.2R227 G228 V229 R234 L235 W276R227-E231 PolarHBondContact O-N 3.21Å; G228-E231 PolarHBondContact O-N 2.92Å; V229-E231 VanDerWaalsContact C-N 3.34Å; V229-E231 PolarHBondContact O-N 3.07Å; E231-R234 PolarHBondContact O-N 2.77Å; E231-R234 IonicContact OE1-NE 2.75Å; E231-R234 IonicContact OE2-CZ 3.77Å; E231-R234 VanDerWaalsContact OE2-CZ 3.28Å; E231-R234 IonicContact OE2-NE 2.79Å; E231-R234 PolarHBondContact OE2-NE 2.88Å; E231-R234 IonicContact OE2-NH2 3.28Å; E231-R234 PolarHBondContact OE2-NH2 2.97Å; E231-L235 WeakPolarHBondContact O-CD1 3.42Å; E231-L235 VanDerWaalsContact O-CG 3.23Å; E231-L235 WeakPolarHBondContact O-CG 3.29Å; E231-L235 PolarHBondContact O-N 2.92Å; E231-W276 HydrophobicContact CG-CB 3.81Å; E231-W276 HydrophobicContact CG-CG 4.43Å
232L89.5Confident89.4Confident110 Ų11082.9 Ų82.958%0.57642%0.424SS*.Hα-helixtrans-60.9-47.7172.6-72.8172.8000111.1G228 V229 R234 L235 T236G228-L232 VanDerWaalsContact O-CG 3.31Å; G228-L232 WeakPolarHBondContact O-CG 3.4Å; G228-L232 PolarHBondContact O-N 3.04Å; V229-L232 PolarHBondContact O-N 2.77Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.24Å; L232-L235 PolarHBondContact O-N 2.77Å; L232-L235 VanDerWaalsContact O-N 3.12Å; L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.11Å; L232-T236 PolarHBondContact O-OG1 2.96Å
233D91.6Very high89.4Confident103 Ų10383.4 Ų83.455%0.55143%0.426SS*.Hα-helixtrans-57.8-42.9177-71-25.1000111.6V229 L235 T236 L237V229-D233 PolarHBondContact O-N 3.07Å; D233-L235 PolarHBondContact O-N 3.45Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-L237 PolarHBondContact O-N 3.04Å
234R86.8Confident89.3Confident92 Ų9278.3 Ų78.335%0.34742%0.416SS..Hα-helixtrans-60.4-43.4175.8-172.3-175.368.173.40.4111.8S230 E231 L232 V238S230-R234 WeakPolarHBondContact O-CB 3.43Å; S230-R234 PolarHBondContact O-N 2.7Å; E231-R234 PolarHBondContact O-N 2.77Å; E231-R234 IonicContact OE1-NE 2.75Å; E231-R234 IonicContact OE2-CZ 3.77Å; E231-R234 VanDerWaalsContact OE2-CZ 3.28Å; E231-R234 IonicContact OE2-NE 2.79Å; E231-R234 PolarHBondContact OE2-NE 2.88Å; E231-R234 IonicContact OE2-NH2 3.28Å; E231-R234 PolarHBondContact OE2-NH2 2.97Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 PolarHBondContact O-N 3.24Å; R234-V238 WeakPolarHBondContact O-CG2 3.28Å; R234-V238 PolarHBondContact O-N 2.84Å
235L87.2Confident89.1Confident32 Ų3276.4 Ų76.417%0.16841%0.407CS..Hα-helixtrans-71.2-40.3178.7-69164.8000111.9E231 L232 D233 L237 V238 I239 F275E231-L235 WeakPolarHBondContact O-CD1 3.42Å; E231-L235 VanDerWaalsContact O-CG 3.23Å; E231-L235 WeakPolarHBondContact O-CG 3.29Å; E231-L235 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 2.77Å; L232-L235 VanDerWaalsContact O-N 3.12Å; D233-L235 PolarHBondContact O-N 3.45Å; L235-L237 VanDerWaalsContact C-N 3.26Å; L235-L237 PolarHBondContact O-N 2.83Å; L235-V238 PolarHBondContact O-N 3.1Å; L235-I239 WeakPolarHBondContact O-CB 3.44Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 2.86Å; L235-F275 HydrophobicContact CD1-CD1 3.39Å; L235-F275 HydrophobicContact CD1-CE1 3.48Å; L235-F275 VanDerWaalsContact CD1-CE1 3.48Å; L235-F275 HydrophobicContact CD2-CD1 3.85Å; L235-F275 HydrophobicContact CD2-CE1 3.28Å; L235-F275 HydrophobicContact CD2-CZ 4.1Å; L235-F275 HydrophobicContact CG-CD1 4.23Å; L235-F275 HydrophobicContact CG-CE1 3.96Å
236T91.8Very high88.8Confident79 Ų7974.1 Ų74.149%0.48541%0.412SS..Hα-helixtrans-57.7-40.7174.6-63.80000111.3L232 D233 S240L232-T236 WeakPolarHBondContact O-CB 3.44Å; L232-T236 PolarHBondContact O-N 3.11Å; L232-T236 PolarHBondContact O-OG1 2.96Å; D233-T236 PolarHBondContact O-N 2.99Å; T236-S240 WeakPolarHBondContact O-CB 3.48Å; T236-S240 PolarHBondContact O-N 2.93Å; T236-S240 PolarHBondContact O-OG 2.86Å
237L90.4Very high88.7Confident109 Ų10980.2 Ų80.257%0.57143%0.426SS*.Hα-helixtrans-62-50.9175.2-173.168.9000111.6D233 L235 I239 S240 E241D233-L237 PolarHBondContact O-N 3.04Å; L235-L237 VanDerWaalsContact C-N 3.26Å; L235-L237 PolarHBondContact O-N 2.83Å; L237-I239 PolarHBondContact O-N 2.9Å; L237-S240 PolarHBondContact O-N 2.94Å; L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3Å
238V86.2Confident88.5Confident40 Ų4075.9 Ų75.924%0.24241%0.412CS..Hα-helixtrans-63.6-41.3179.9171.70000112.2R234 L235 E241 L242 Y270R234-V238 WeakPolarHBondContact O-CG2 3.28Å; R234-V238 PolarHBondContact O-N 2.84Å; L235-V238 PolarHBondContact O-N 3.1Å; V238-E241 PolarHBondContact O-N 2.96Å; V238-L242 HydrophobicContact CG1-CD1 3.99Å; V238-L242 HydrophobicContact CG1-CG 4.47Å; V238-L242 WeakPolarHBondContact O-CB 3.34Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 2.97Å; V238-Y270 HydrophobicContact CG1-CD1 3.58Å; V238-Y270 HydrophobicContact CG1-CE1 4.1Å; V238-Y270 HydrophobicContact CG1-CG 4.49Å
239I88.5Confident88.5Confident86 Ų8678.7 Ų78.744%0.44143%0.427SS..Hα-helixtrans-60.9-48.1176-70.7165.4000109.7L235 L237 E241 L242 E243L235-I239 WeakPolarHBondContact O-CB 3.44Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 2.86Å; L237-I239 PolarHBondContact O-N 2.9Å; I239-E241 VanDerWaalsContact C-N 3.31Å; I239-E241 PolarHBondContact O-N 3.28Å; I239-L242 PolarHBondContact O-N 3.08Å; I239-E243 HydrophobicContact CG2-CG 4.13Å; I239-E243 WeakPolarHBondContact O-CB 2.78Å; I239-E243 WeakPolarHBondContact O-CG 3.23Å; I239-E243 PolarHBondContact O-N 2.89Å
240S91.8Very high88.2Confident65 Ų6579 Ų7946%0.45544%0.437SS..Hα-helixtrans-60.8-39.6179.6-58.30000112.1T236 L237 G244T236-S240 WeakPolarHBondContact O-CB 3.48Å; T236-S240 PolarHBondContact O-N 2.93Å; T236-S240 PolarHBondContact O-OG 2.86Å; L237-S240 PolarHBondContact O-N 2.94Å; S240-G244 PolarHBondContact O-N 2.81Å
241E87.4Confident87.9Confident88 Ų8878.8 Ų78.841%0.41144%0.44SS..Hα-helixtrans-62.5-46.8173.9-74.1-177-16600112.3L237 V238 I239 G244 K245 Y270L237-E241 WeakPolarHBondContact O-CG 3.44Å; L237-E241 PolarHBondContact O-N 3Å; V238-E241 PolarHBondContact O-N 2.96Å; I239-E241 VanDerWaalsContact C-N 3.31Å; I239-E241 PolarHBondContact O-N 3.28Å; E241-G244 PolarHBondContact O-N 2.92Å; E241-K245 WeakPolarHBondContact O-CG 3.49Å; E241-K245 PolarHBondContact O-N 3.02Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.3Å; E241-Y270 PolarHBondContact OE2-OH 3.35Å
242L86Confident87.5Confident62 Ų6281 Ų8133%0.32545%0.451SS..Hα-helixtrans-68.3-40.6-179.2-74.5175.3000112.2V238 I239 G244 K245 A246 F266 Y270V238-L242 HydrophobicContact CG1-CD1 3.99Å; V238-L242 HydrophobicContact CG1-CG 4.47Å; V238-L242 WeakPolarHBondContact O-CB 3.34Å; V238-L242 WeakPolarHBondContact O-CG 3.47Å; V238-L242 PolarHBondContact O-N 2.97Å; I239-L242 PolarHBondContact O-N 3.08Å; L242-G244 VanDerWaalsContact C-N 3.3Å; L242-G244 PolarHBondContact O-N 3.47Å; L242-K245 PolarHBondContact O-N 3.36Å; L242-A246 WeakPolarHBondContact O-CB 3.33Å; L242-A246 PolarHBondContact O-N 3.47Å; L242-F266 HydrophobicContact CD2-CE1 4.45Å; L242-Y270 HydrophobicContact CD1-CD1 4.4Å; L242-Y270 HydrophobicContact CD1-CG 4.26Å; L242-Y270 HydrophobicContact CD2-CD1 4.34Å; L242-Y270 HydrophobicContact CD2-CD2 3.56Å; L242-Y270 HydrophobicContact CD2-CE1 4.29Å; L242-Y270 HydrophobicContact CD2-CE2 3.5Å; L242-Y270 VanDerWaalsContact CD2-CE2 3.5Å; L242-Y270 HydrophobicContact CD2-CG 3.97Å; L242-Y270 HydrophobicContact CG-CD1 4.32Å; L242-Y270 HydrophobicContact CG-CD2 4.38Å; L242-Y270 HydrophobicContact CG-CE1 4.31Å; L242-Y270 HydrophobicContact CG-CE2 4.37Å; L242-Y270 HydrophobicContact CG-CG 4.33Å
243E90.7Very high87.1Confident103 Ų10378.3 Ų78.348%0.48144%0.436SS..Hα-helixtrans-62-39172.8-74.3-175.8159.700111.7I239 R247I239-E243 HydrophobicContact CG2-CG 4.13Å; I239-E243 WeakPolarHBondContact O-CB 2.78Å; I239-E243 WeakPolarHBondContact O-CG 3.23Å; I239-E243 PolarHBondContact O-N 2.89Å; E243-R247 WeakPolarHBondContact O-CG 3.23Å; E243-R247 PolarHBondContact O-N 3.23Å
244G89.7Confident86.4Confident40 Ų4078.4 Ų78.441%0.41243%0.434SS..Hα-helixtrans-61.3-49.2173.200000112.1S240 E241 L242 A246 R247S240-G244 PolarHBondContact O-N 2.81Å; E241-G244 PolarHBondContact O-N 2.92Å; L242-G244 VanDerWaalsContact C-N 3.3Å; L242-G244 PolarHBondContact O-N 3.47Å; G244-A246 PolarHBondContact O-N 2.9Å; G244-R247 PolarHBondContact O-N 3.48Å
245K85Confident85.8Confident29 Ų2980.2 Ų80.213%0.12645%0.447CS..Hα-helixtrans-62.9-39.8177-73.6-177.9177.4175.30113E241 L242 R247 Q248 L253 F266 Y270E241-K245 WeakPolarHBondContact O-CG 3.49Å; E241-K245 PolarHBondContact O-N 3.02Å; L242-K245 PolarHBondContact O-N 3.36Å; K245-R247 PolarHBondContact O-N 3.06Å; K245-R247 VanDerWaalsContact O-N 3.15Å; K245-Q248 WeakPolarHBondContact O-CB 3.36Å; K245-Q248 PolarHBondContact O-N 3.38Å; K245-Q248 VanDerWaalsContact O-N 3.09Å; K245-L253 HydrophobicContact CB-CD1 4.48Å; K245-F266 HydrophobicContact CD-CE2 4.25Å; K245-F266 HydrophobicContact CD-CZ 3.88Å; K245-Y270 PolarHBondContact NZ-OH 3.26Å
246A85.3Confident84.8Confident80 Ų8081.5 Ų81.566%0.66145%0.454SS*.Hα-helixtrans-62.3-21177.400000113.5L242 G244L242-A246 WeakPolarHBondContact O-CB 3.33Å; L242-A246 PolarHBondContact O-N 3.47Å; G244-A246 PolarHBondContact O-N 2.9Å
247R89.2Confident83.5Confident208 Ų20878.8 Ų78.879%0.78544%0.437SS*.THydrogen-bonded Turntrans-94.9-5177.5-65.5175.1-171.1-157.45.5113.8E243 G244 K245E243-R247 WeakPolarHBondContact O-CG 3.23Å; E243-R247 PolarHBondContact O-N 3.23Å; G244-R247 PolarHBondContact O-N 3.48Å; K245-R247 PolarHBondContact O-N 3.06Å; K245-R247 VanDerWaalsContact O-N 3.15Å
248Q85.6Confident82.1Confident53 Ų5377.2 Ų77.225%0.24843%0.434CS..SBendtrans-67147-179.7-75.1172.5-22.900111.5K245 E252 L253 D256K245-Q248 WeakPolarHBondContact O-CB 3.36Å; K245-Q248 PolarHBondContact O-N 3.38Å; K245-Q248 VanDerWaalsContact O-N 3.09Å; Q248-E252 HydrophobicContact CB-CB 4.37Å; Q248-L253 HydrophobicContact CB-CB 4.28Å; Q248-D256 PolarHBondContact NE2-OD2 3.39Å; Q248-D256 PolarHBondContact OE1-OD2 3.16Å
249P88.4Confident80.8Confident75 Ų7580.3 Ų80.349%0.48745%0.454SS..  trans-53.5142.7167.9-23.133000111.3A251 E252 L253P249-A251 PolarHBondContact O-N 3.47Å; P249-E252 WeakPolarHBondContact CD-OE2 3.48Å; P249-E252 PolarHBondContact O-N 2.87Å; P249-L253 PolarHBondContact O-N 2.95Å
250A84.5Confident79.3Confident78 Ų7877.7 Ų77.765%0.64544%0.442SS*.Hα-helixtrans-52.7-33.1-174.100000114M254A250-M254 VanDerWaalsContact O-CB 3.31Å; A250-M254 WeakPolarHBondContact O-CB 3.48Å; A250-M254 WeakPolarHBondContact O-CG 3.28Å; A250-M254 PolarHBondContact O-N 3.22Å
251A83.2Confident77.5Confident70 Ų7083.4 Ų83.458%0.57946%0.461SS*.Hα-helixtrans-68.3-38.8177.400000113.3P249 Q255P249-A251 PolarHBondContact O-N 3.47Å; A251-Q255 WeakPolarHBondContact O-CG 3.43Å; A251-Q255 PolarHBondContact O-N 3.45Å
252E79.6Confident75.9Confident100 Ų10083.7 Ų83.747%0.46747%0.466SS..Hα-helixtrans-75-44.1178.9-68.3175.7-163.100110.6Q248 P249 M254 Q255 D256Q248-E252 HydrophobicContact CB-CB 4.37Å; P249-E252 WeakPolarHBondContact CD-OE2 3.48Å; P249-E252 PolarHBondContact O-N 2.87Å; E252-M254 VanDerWaalsContact C-N 3.27Å; E252-M254 PolarHBondContact O-N 2.86Å; E252-Q255 WeakPolarHBondContact O-CB 3.4Å; E252-Q255 PolarHBondContact O-N 2.94Å; E252-D256 PolarHBondContact O-N 3.29Å
253L79.9Confident74.4Confident52 Ų5286.4 Ų86.427%0.27249%0.485SS..Hα-helixtrans-56.9-43.9174.2-179.762.9000111K245 Q248 P249 Q255 D256 V257K245-L253 HydrophobicContact CB-CD1 4.48Å; Q248-L253 HydrophobicContact CB-CB 4.28Å; P249-L253 PolarHBondContact O-N 2.95Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 2.91Å; L253-D256 PolarHBondContact O-N 2.99Å; L253-V257 HydrophobicContact CD1-CG2 4.22Å; L253-V257 HydrophobicContact CG-CG2 4.38Å; L253-V257 WeakPolarHBondContact O-CB 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.29Å; L253-V257 PolarHBondContact O-N 3.01Å
254M76.2Confident72.7Confident105 Ų10589.6 Ų89.652%0.51750%0.497SS..Hα-helixtrans-68.3-26.4177.2-71.2-59.5-61.800112.9A250 E252 C258A250-M254 VanDerWaalsContact O-CB 3.31Å; A250-M254 WeakPolarHBondContact O-CB 3.48Å; A250-M254 WeakPolarHBondContact O-CG 3.28Å; A250-M254 PolarHBondContact O-N 3.22Å; E252-M254 VanDerWaalsContact C-N 3.27Å; E252-M254 PolarHBondContact O-N 2.86Å; M254-C258 WeakPolarHBondContact O-CB 3.16Å; M254-C258 PolarHBondContact O-N 3.01Å; M254-C258 PolarHBondContact O-SG 3.28Å
255Q74.8Confident71.2Confident131 Ų13190.5 Ų90.561%0.61249%0.493SS*.Hα-helixtrans-71.3-42.4170.6-74172.910.500111.4A251 E252 L253 V257 C258 T259A251-Q255 WeakPolarHBondContact O-CG 3.43Å; A251-Q255 PolarHBondContact O-N 3.45Å; E252-Q255 WeakPolarHBondContact O-CB 3.4Å; E252-Q255 PolarHBondContact O-N 2.94Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 2.91Å; Q255-V257 VanDerWaalsContact C-N 3.29Å; Q255-V257 PolarHBondContact O-N 3.47Å; Q255-C258 PolarHBondContact O-N 2.97Å; Q255-T259 WeakPolarHBondContact O-CG2 3.42Å; Q255-T259 PolarHBondContact O-N 3.49Å; Q255-T259 PolarHBondContact O-OG1 2.91Å
256D67.6Low70Confident58 Ų5891.2 Ų91.231%0.3150%0.496SS..Hα-helixtrans-66.6-30.1176.9-83.4-0.9000112.6Q248 E252 L253 T259Q248-D256 PolarHBondContact NE2-OD2 3.39Å; Q248-D256 PolarHBondContact OE1-OD2 3.16Å; E252-D256 PolarHBondContact O-N 3.29Å; L253-D256 PolarHBondContact O-N 2.99Å; D256-T259 PolarHBondContact O-OG1 3.48Å
257V64.4Low68.8Low23 Ų2390.7 Ų90.714%0.13949%0.491CS..Hα-helixtrans-83.8-37.7175.3175.10000111.9L253 Q255 T260 T263 F266L253-V257 HydrophobicContact CD1-CG2 4.22Å; L253-V257 HydrophobicContact CG-CG2 4.38Å; L253-V257 WeakPolarHBondContact O-CB 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.29Å; L253-V257 PolarHBondContact O-N 3.01Å; Q255-V257 VanDerWaalsContact C-N 3.29Å; Q255-V257 PolarHBondContact O-N 3.47Å; V257-T260 PolarHBondContact O-N 2.86Å; V257-T260 PolarHBondContact O-OG1 3.48Å; V257-T263 HydrophobicContact CG1-CG2 4.36Å; V257-F266 HydrophobicContact CB-CD2 4.42Å; V257-F266 HydrophobicContact CG2-CD2 3.72Å; V257-F266 HydrophobicContact CG2-CE2 3.8Å; V257-F266 HydrophobicContact CG2-CG 4.28Å; V257-F266 HydrophobicContact CG2-CZ 4.43Å
258C59.8Low67.6Low75 Ų7586 Ų8651%0.50748%0.482SS..Hα-helixtrans-82.4-12.5-178.1-700000114.3M254 Q255 T260M254-C258 WeakPolarHBondContact O-CB 3.16Å; M254-C258 PolarHBondContact O-N 3.01Å; M254-C258 PolarHBondContact O-SG 3.28Å; Q255-C258 PolarHBondContact O-N 2.97Å; C258-T260 PolarHBondContact O-N 3.24Å
259T59.7Low66.5Low106 Ų10689.1 Ų89.165%0.6550%0.495SS*.THydrogen-bonded Turntrans-70.9-19.2169.840.10000112.5Q255 D256Q255-T259 WeakPolarHBondContact O-CG2 3.42Å; Q255-T259 PolarHBondContact O-N 3.49Å; Q255-T259 PolarHBondContact O-OG1 2.91Å; D256-T259 PolarHBondContact O-OG1 3.48Å
260T57.1Low65.5Low30 Ų3087.5 Ų87.518%0.18448%0.479CS..SBendtrans-91.9109.516447.70000107.8V257 C258 D262V257-T260 PolarHBondContact O-N 2.86Å; V257-T260 PolarHBondContact O-OG1 3.48Å; C258-T260 PolarHBondContact O-N 3.24Å; T260-D262 PolarHBondContact O-N 3.22Å
261Q54Low64.5Low186 Ų18687.4 Ų87.487%0.86947%0.472SS*.SBendtrans-63.4-1.8-171.6-149.393.112.200114.3
262D53.4Low63.6Low94 Ų9495.5 Ų95.550%0.50349%0.488SS..  trans-125.1119.4171.4-91.4-51.7000109.5T260 K264 D265T260-D262 PolarHBondContact O-N 3.22Å; D262-K264 PolarHBondContact O-N 2.9Å; D262-K264 VanDerWaalsContact O-N 3.09Å; D262-D265 HydrophobicContact CB-CB 4.16Å; D262-D265 WeakPolarHBondContact O-CB 3.37Å; D262-D265 PolarHBondContact O-N 3.32Å
263T53.7Low62.7Low118 Ų11895.9 Ų95.972%0.72449%0.487SS*.THydrogen-bonded Turntrans-62.5-14.2172.337.80000112.9V257 D265V257-T263 HydrophobicContact CG1-CG2 4.36Å; T263-D265 VanDerWaalsContact C-N 3.32Å
264K55.8Low61.8Low171 Ų17199.5 Ų99.574%0.74350%0.501SS*.THydrogen-bonded Turntrans-74.9-18.7168.5-72.9-179.6174.9178.80113.1D262D262-K264 PolarHBondContact O-N 2.9Å; D262-K264 VanDerWaalsContact O-N 3.09Å
265D58.3Low61Low59 Ų5999.9 Ų99.932%0.31650%0.5SS..Hα-helixtrans-86.6-15.7-175.5-78.5-18.3000115D262 T263 A267 N268 K269D262-D265 HydrophobicContact CB-CB 4.16Å; D262-D265 WeakPolarHBondContact O-CB 3.37Å; D262-D265 PolarHBondContact O-N 3.32Å; T263-D265 VanDerWaalsContact C-N 3.32Å; D265-A267 PolarHBondContact O-N 3.35Å; D265-N268 CarbonylContact O-C 3.56Å; D265-N268 WeakPolarHBondContact O-CA 3.36Å; D265-N268 WeakPolarHBondContact O-CB 3.39Å; D265-N268 PolarHBondContact O-N 3.2Å; D265-N268 PolarHBondContact OD1-ND2 3.21Å; D265-K269 PolarHBondContact O-N 3.43Å
266F59.2Low60.4Low44 Ų4496.6 Ų96.619%0.19348%0.482CS..Hα-helixtrans-62.1-37.4176.8-169.7-92.3000111.5L242 K245 V257 K269 Y270L242-F266 HydrophobicContact CD2-CE1 4.45Å; K245-F266 HydrophobicContact CD-CE2 4.25Å; K245-F266 HydrophobicContact CD-CZ 3.88Å; V257-F266 HydrophobicContact CB-CD2 4.42Å; V257-F266 HydrophobicContact CG2-CD2 3.72Å; V257-F266 HydrophobicContact CG2-CE2 3.8Å; V257-F266 HydrophobicContact CG2-CG 4.28Å; V257-F266 HydrophobicContact CG2-CZ 4.43Å; F266-K269 WeakPolarHBondContact O-CB 3.21Å; F266-K269 PolarHBondContact O-N 2.83Å; F266-Y270 HydrophobicContact CZ-CE2 4.45Å
267A60.6Low60.2Low69 Ų69101.5 Ų101.557%0.5751%0.507SS*.Hα-helixtrans-72.2-33.8171.200000112.2D265 K269 Y270D265-A267 PolarHBondContact O-N 3.35Å; A267-K269 PolarHBondContact O-N 2.72Å; A267-Y270 CarbonylContact O-C 3.6Å; A267-Y270 PolarHBondContact O-N 3.47Å; A267-Y270 VanDerWaalsContact O-N 3.07Å; A267-Y270 VanDerWaalsContact O-O 3.12Å
268N63.3Low60.5Low108 Ų108101.6 Ų101.658%0.57851%0.513SS*.Hα-helixtrans-66.5-22.3173.7-72.2-21.3000113.2D265 Y270 P271D265-N268 CarbonylContact O-C 3.56Å; D265-N268 WeakPolarHBondContact O-CA 3.36Å; D265-N268 WeakPolarHBondContact O-CB 3.39Å; D265-N268 PolarHBondContact O-N 3.2Å; D265-N268 PolarHBondContact OD1-ND2 3.21Å; N268-Y270 PolarHBondContact O-N 3Å; N268-P271 WeakPolarHBondContact O-CD 3.36Å
269K64.1Low61.5Low120 Ų120106.9 Ų106.952%0.52253%0.527SS..THydrogen-bonded Turntrans-70.6-22.6172.7-156.5170.6-172.2167.70112.5D265 F266 A267 P271D265-K269 PolarHBondContact O-N 3.43Å; F266-K269 WeakPolarHBondContact O-CB 3.21Å; F266-K269 PolarHBondContact O-N 2.83Å; A267-K269 PolarHBondContact O-N 2.72Å; K269-P271 VanDerWaalsContact C-CD 3.48Å
270Y67.3Low62.7Low40 Ų40104.8 Ų104.816%0.15752%0.52CS..SBendtrans-128.363.3176.9-59.6-75.2000109.3V238 E241 L242 K245 F266 A267 N268 R272V238-Y270 HydrophobicContact CG1-CD1 3.58Å; V238-Y270 HydrophobicContact CG1-CE1 4.1Å; V238-Y270 HydrophobicContact CG1-CG 4.49Å; E241-Y270 WeakPolarHBondContact OE2-CE1 3.3Å; E241-Y270 PolarHBondContact OE2-OH 3.35Å; L242-Y270 HydrophobicContact CD1-CD1 4.4Å; L242-Y270 HydrophobicContact CD1-CG 4.26Å; L242-Y270 HydrophobicContact CD2-CD1 4.34Å; L242-Y270 HydrophobicContact CD2-CD2 3.56Å; L242-Y270 HydrophobicContact CD2-CE1 4.29Å; L242-Y270 HydrophobicContact CD2-CE2 3.5Å; L242-Y270 VanDerWaalsContact CD2-CE2 3.5Å; L242-Y270 HydrophobicContact CD2-CG 3.97Å; L242-Y270 HydrophobicContact CG-CD1 4.32Å; L242-Y270 HydrophobicContact CG-CD2 4.38Å; L242-Y270 HydrophobicContact CG-CE1 4.31Å; L242-Y270 HydrophobicContact CG-CE2 4.37Å; L242-Y270 HydrophobicContact CG-CG 4.33Å; K245-Y270 PolarHBondContact NZ-OH 3.26Å; F266-Y270 HydrophobicContact CZ-CE2 4.45Å; A267-Y270 CarbonylContact O-C 3.6Å; A267-Y270 PolarHBondContact O-N 3.47Å; A267-Y270 VanDerWaalsContact O-N 3.07Å; A267-Y270 VanDerWaalsContact O-O 3.12Å; N268-Y270 PolarHBondContact O-N 3Å; Y270-R272 PolarHBondContact O-N 2.96Å
271P62.4Low64.2Low77 Ų77106.7 Ų106.750%0.553%0.529SS..  trans-59.2133.2-175.925.4-29.9000108N268 K269 K273N268-P271 WeakPolarHBondContact O-CD 3.36Å; K269-P271 VanDerWaalsContact C-CD 3.48Å; P271-K273 HydrophobicContact CG-CG 4.41Å; P271-K273 PolarHBondContact O-N 3.49Å
272R63.9Low65.8Low240 Ų240101 Ų10191%0.90651%0.508SS*.  trans-63.678.5161.8-85.9-174.8168.4-168.7-2.8107.2Y270 K274Y270-R272 PolarHBondContact O-N 2.96Å; R272-K274 PolarHBondContact O-N 3.5Å
273K61.8Low67.6Low107 Ų107103.3 Ų103.347%0.46552%0.515SS..PPolyproline II helixtrans-61.2130.4161-71.1-168.1176.2-167.40105.6P271 F275 Y413P271-K273 HydrophobicContact CG-CG 4.41Å; P271-K273 PolarHBondContact O-N 3.49Å; K273-F275 PolarHBondContact O-N 3.07Å; K273-Y413 PolarHBondContact NZ-OH 3.43Å
274K60.5Low69.3Low128 Ų128101.7 Ų101.756%0.55750%0.5SS*.PPolyproline II helixtrans-47.8117.2169-68.2-176.6-169.1179.10106R272 E417R272-K274 PolarHBondContact O-N 3.5Å; K274-E417 WeakPolarHBondContact CE-OE1 3.41Å; K274-E417 IonicContact NZ-OE1 2.88Å; K274-E417 PolarHBondContact NZ-OE1 3.39Å; K274-E417 IonicContact NZ-OE2 3.35Å; K274-E417 PolarHBondContact NZ-OE2 3.43Å
275F59Low71.1Confident114 Ų11493.9 Ų93.950%0.547%0.467SS..PPolyproline II helixtrans-54.6149-178.7-69-105.2000107.6L235 K273 I277L235-F275 HydrophobicContact CD1-CD1 3.39Å; L235-F275 HydrophobicContact CD1-CE1 3.48Å; L235-F275 VanDerWaalsContact CD1-CE1 3.48Å; L235-F275 HydrophobicContact CD2-CD1 3.85Å; L235-F275 HydrophobicContact CD2-CE1 3.28Å; L235-F275 HydrophobicContact CD2-CZ 4.1Å; L235-F275 HydrophobicContact CG-CD1 4.23Å; L235-F275 HydrophobicContact CG-CE1 3.96Å; K273-F275 PolarHBondContact O-N 3.07Å; F275-I277 PolarHBondContact O-N 3.15Å
276W62.2Low72.7Confident62 Ų6297.1 Ų97.124%0.23548%0.478CS..  trans-60.7107.1178.3177.476.1000109.8F224 R227 E231F224-W276 HydrophobicContact CB-CH2 4.48Å; F224-W276 AromaticContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CH2 3.91Å; F224-W276 HydrophobicContact CD1-CZ3 4.41Å; F224-W276 AromaticContact CD2-CH2 3.2Å; F224-W276 HydrophobicContact CD2-CH2 3.2Å; F224-W276 AromaticContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ2 3.65Å; F224-W276 HydrophobicContact CD2-CZ3 4.26Å; F224-W276 AromaticContact CE1-CH2 3.8Å; F224-W276 HydrophobicContact CE1-CH2 3.8Å; F224-W276 AromaticContact CE1-CZ3 3.97Å; F224-W276 HydrophobicContact CE1-CZ3 3.97Å; F224-W276 AromaticContact CE2-CH2 3.06Å; F224-W276 HydrophobicContact CE2-CH2 3.06Å; F224-W276 AromaticContact CE2-CZ2 3.6Å; F224-W276 HydrophobicContact CE2-CZ2 3.6Å; F224-W276 AromaticContact CE2-CZ3 3.78Å; F224-W276 HydrophobicContact CE2-CZ3 3.78Å; F224-W276 AromaticContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CH2 3.62Å; F224-W276 HydrophobicContact CG-CZ2 4.38Å; F224-W276 AromaticContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CH2 3.38Å; F224-W276 HydrophobicContact CZ-CZ2 4.31Å; F224-W276 AromaticContact CZ-CZ3 3.62Å; F224-W276 HydrophobicContact CZ-CZ3 3.62Å; R227-W276 HydrophobicContact CB-CH2 4.42Å; R227-W276 HydrophobicContact CB-CZ2 4.31Å; R227-W276 HydrophobicContact CG-CD2 4.25Å; R227-W276 HydrophobicContact CG-CZ2 4.12Å; R227-W276 VanDerWaalsContact NE-CD1 3.31Å; R227-W276 VanDerWaalsContact NH1-NE1 3.19Å; E231-W276 HydrophobicContact CG-CB 3.81Å; E231-W276 HydrophobicContact CG-CG 4.43Å
277I64.9Low74.4Confident160 Ų160101.7 Ų101.782%0.82150%0.495SS*.  trans-115.371.1170.5-56.1168.7000105.7F275F275-I277 PolarHBondContact O-N 3.15Å
278G69.4Low75.9Confident26 Ų26102.2 Ų102.227%0.26848%0.484SS..  trans-75.9145173.400000110.8F224 A280F224-G278 WeakPolarHBondContact CE2-O 3.5Å; G278-A280 PolarHBondContact O-N 3.34Å
279K80.8Confident77.4Confident186 Ų18699 Ų9981%0.80947%0.472SS*.  trans-63.4130.9165.8-68.2-176.4-179.7176.70108.9I281K279-I281 VanDerWaalsContact C-N 3.27Å; K279-I281 PolarHBondContact O-N 3.18Å
280A85.4Confident78.8Confident62 Ų6294.9 Ų94.951%0.51246%0.464SS..SBendtrans-65.4-29.5-177.100000113.8F224 G278F224-A280 HydrophobicContact CD2-CB 4.33Å; F224-A280 HydrophobicContact CE2-CB 4.03Å; F224-A280 HydrophobicContact CZ-CB 4.22Å; G278-A280 PolarHBondContact O-N 3.34Å
281I89.4Confident80.1Confident69 Ų6996.9 Ų96.935%0.35448%0.475SS..SBendtrans-120120.9-179.3-56.7175.2000108L217 K279 V285 K286L217-I281 HydrophobicContact CD2-CD1 4.4Å; L217-I281 HydrophobicContact CD2-CG1 4.24Å; L217-I281 HydrophobicContact CD2-CG2 3.91Å; K279-I281 VanDerWaalsContact C-N 3.27Å; K279-I281 PolarHBondContact O-N 3.18Å; I281-V285 HydrophobicContact CG2-CB 4.01Å; I281-V285 HydrophobicContact CG2-CG1 4.13Å; I281-K286 HydrophobicContact CB-CG 4.43Å; I281-K286 HydrophobicContact CG2-CG 3.79Å
282P86.5Confident81.6Confident67 Ų6794 Ų9444%0.43545%0.454SS..  trans-59.1144.3175.5-23.633.6000112.4M284 V285 K286P282-M284 VanDerWaalsContact C-N 3.29Å; P282-M284 PolarHBondContact O-N 3.3Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.33Å; P282-V285 PolarHBondContact O-N 2.64Å; P282-K286 PolarHBondContact O-N 3.2Å
283H90.4Very high83Confident143 Ų14385.5 Ų85.566%0.66243%0.431SS*.Hα-helixtrans-52.4-45.5179.8178.4-106.8000112.5V285 K286 R287H283-V285 PolarHBondContact O-N 3.37Å; H283-K286 WeakPolarHBondContact O-CB 3.01Å; H283-K286 PolarHBondContact O-N 3.44Å; H283-R287 PolarHBondContact O-N 2.91Å
284M90.9Very high84.5Confident83 Ų8384.9 Ų84.941%0.40943%0.433SS..Hα-helixtrans-53.4-38.4176.2-178.3-164.560.100113.1P282 K288P282-M284 VanDerWaalsContact C-N 3.29Å; P282-M284 PolarHBondContact O-N 3.3Å; M284-K288 HydrophobicContact CG-CD 4.43Å; M284-K288 WeakPolarHBondContact O-CG 3Å; M284-K288 PolarHBondContact O-N 3.44Å; M284-K288 VanDerWaalsContact O-N 3.07Å
285V92.4Very high85.9Confident8 Ų883.1 Ų83.15%0.04843%0.426CS..Hα-helixtrans-73.2-38.2-179.8-178.80000110.6L216 L217 I281 P282 H283 A289L216-V285 HydrophobicContact CB-CG2 4.36Å; L217-V285 HydrophobicContact CD2-CG1 3.63Å; L217-V285 HydrophobicContact CG-CG1 3.83Å; I281-V285 HydrophobicContact CG2-CB 4.01Å; I281-V285 HydrophobicContact CG2-CG1 4.13Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.33Å; P282-V285 PolarHBondContact O-N 2.64Å; H283-V285 PolarHBondContact O-N 3.37Å; V285-A289 WeakPolarHBondContact O-CB 3.13Å; V285-A289 PolarHBondContact O-N 2.97Å
286K92.9Very high87.5Confident126 Ų12680.8 Ų80.855%0.54842%0.418SS..Hα-helixtrans-62-47.7173.3-68.9-170.5175.6-169.90111.4I281 P282 H283 A289 G290I281-K286 HydrophobicContact CB-CG 4.43Å; I281-K286 HydrophobicContact CG2-CG 3.79Å; P282-K286 PolarHBondContact O-N 3.2Å; H283-K286 WeakPolarHBondContact O-CB 3.01Å; H283-K286 PolarHBondContact O-N 3.44Å; K286-A289 WeakPolarHBondContact O-CB 3.48Å; K286-A289 PolarHBondContact O-N 3.4Å; K286-A289 VanDerWaalsContact O-N 3.15Å; K286-G290 PolarHBondContact O-N 3.26Å
287R93.8Very high88.8Confident141 Ų14182.4 Ų82.453%0.53243%0.431SS..Hα-helixtrans-57.7-50.9177.7-168.7179.667.8-160.8-2.3111.8H283 A289 G290 E291H283-R287 PolarHBondContact O-N 2.91Å; R287-A289 VanDerWaalsContact C-N 3.25Å; R287-A289 PolarHBondContact O-N 3.26Å; R287-G290 WeakPolarHBondContact O-CA 3.36Å; R287-G290 PolarHBondContact O-N 3.21Å; R287-E291 IonicContact NE-OE1 3.48Å; R287-E291 WeakPolarHBondContact O-CG 3.36Å; R287-E291 PolarHBondContact O-N 2.89Å
288K93.6Very high89.9Confident80 Ų8078.2 Ų78.235%0.34842%0.415SS..Hα-helixtrans-62.2-30.9177.1-69.4-179.1177.8-179.40113.4L213 M284 F292L213-K288 HydrophobicContact CD2-CB 3.66Å; L213-K288 HydrophobicContact CD2-CD 4.4Å; M284-K288 HydrophobicContact CG-CD 4.43Å; M284-K288 WeakPolarHBondContact O-CG 3Å; M284-K288 PolarHBondContact O-N 3.44Å; M284-K288 VanDerWaalsContact O-N 3.07Å; K288-F292 WeakPolarHBondContact O-CB 3.31Å; K288-F292 PolarHBondContact O-N 3.47Å
289A93.4Very high91Very high40 Ų4080.2 Ų80.233%0.33142%0.42SS..Hα-helixtrans-71.4-37.6174.100000112V285 K286 R287 F292 S293V285-A289 WeakPolarHBondContact O-CB 3.13Å; V285-A289 PolarHBondContact O-N 2.97Å; K286-A289 WeakPolarHBondContact O-CB 3.48Å; K286-A289 PolarHBondContact O-N 3.4Å; K286-A289 VanDerWaalsContact O-N 3.15Å; R287-A289 VanDerWaalsContact C-N 3.25Å; R287-A289 PolarHBondContact O-N 3.26Å; A289-F292 PolarHBondContact O-N 2.88Å; A289-S293 PolarHBondContact O-N 2.92Å; A289-S293 PolarHBondContact O-OG 2.81Å
290G93.6Very high91.3Very high33 Ų3376.6 Ų76.634%0.3441%0.406SS..Hα-helixtrans-59.2-56.6169.600000111.7K286 R287 F292 S293 D294K286-G290 PolarHBondContact O-N 3.26Å; R287-G290 WeakPolarHBondContact O-CA 3.36Å; R287-G290 PolarHBondContact O-N 3.21Å; G290-F292 PolarHBondContact O-N 3.06Å; G290-F292 VanDerWaalsContact O-N 3.11Å; G290-S293 WeakPolarHBondContact O-CA 3.46Å; G290-S293 VanDerWaalsContact O-CB 3.28Å; G290-S293 WeakPolarHBondContact O-CB 3.29Å; G290-S293 PolarHBondContact O-N 3.35Å; G290-D294 PolarHBondContact O-N 2.91Å
291E93.9Very high91.2Very high83 Ų8378.5 Ų78.539%0.38840%0.4SS..Hα-helixtrans-54.3-35.9176.5-66.8168.4-151.200112.8R287 K295R287-E291 IonicContact NE-OE1 3.48Å; R287-E291 WeakPolarHBondContact O-CG 3.36Å; R287-E291 PolarHBondContact O-N 2.89Å; E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.35Å; E291-K295 PolarHBondContact O-N 2.84Å
292F95Very high91.2Very high15 Ų1576.8 Ų76.87%0.06640%0.399CS..Hα-helixtrans-70.1-36.5175.6-172.1-97.4000112.1L206 Q209 L210 L213 K288 A289 G290 K295 L296L206-F292 HydrophobicContact CD2-CE2 4.14Å; L206-F292 WeakPolarHBondContact O-CE2 3.45Å; L206-F292 WeakPolarHBondContact O-CZ 3.09Å; Q209-F292 HydrophobicContact CB-CD2 4.12Å; Q209-F292 HydrophobicContact CB-CE2 3.75Å; L210-F292 HydrophobicContact CB-CE1 4.27Å; L210-F292 HydrophobicContact CB-CZ 3.91Å; L210-F292 HydrophobicContact CD1-CD1 4.29Å; L210-F292 HydrophobicContact CD1-CE1 3.83Å; L210-F292 HydrophobicContact CD1-CZ 4.33Å; L210-F292 HydrophobicContact CG-CE1 4.47Å; L213-F292 HydrophobicContact CD1-CB 4.02Å; L213-F292 HydrophobicContact CD1-CG 4.19Å; K288-F292 WeakPolarHBondContact O-CB 3.31Å; K288-F292 PolarHBondContact O-N 3.47Å; A289-F292 PolarHBondContact O-N 2.88Å; G290-F292 PolarHBondContact O-N 3.06Å; G290-F292 VanDerWaalsContact O-N 3.11Å; F292-K295 WeakPolarHBondContact O-CB 2.99Å; F292-K295 PolarHBondContact O-N 3.33Å; F292-L296 HydrophobicContact CD1-CD1 4.02Å; F292-L296 HydrophobicContact CD1-CG 4.16Å; F292-L296 HydrophobicContact CE1-CD1 3.69Å; F292-L296 HydrophobicContact CE1-CD2 4.08Å; F292-L296 HydrophobicContact CE1-CG 3.87Å; F292-L296 HydrophobicContact CZ-CD2 4.23Å; F292-L296 HydrophobicContact CZ-CG 4.44Å; F292-L296 WeakPolarHBondContact O-CG 3.07Å; F292-L296 PolarHBondContact O-N 2.52Å
293S93.4Very high91.3Very high62 Ų6277.1 Ų77.143%0.43440%0.397SS..Hα-helixtrans-65.4-41177.3-57.70000111A289 G290 K295 L296 L297A289-S293 PolarHBondContact O-N 2.92Å; A289-S293 PolarHBondContact O-OG 2.81Å; G290-S293 WeakPolarHBondContact O-CA 3.46Å; G290-S293 VanDerWaalsContact O-CB 3.28Å; G290-S293 WeakPolarHBondContact O-CB 3.29Å; G290-S293 PolarHBondContact O-N 3.35Å; S293-K295 VanDerWaalsContact C-N 3.34Å; S293-K295 PolarHBondContact O-N 2.83Å; S293-L296 WeakPolarHBondContact O-CB 3.2Å; S293-L296 PolarHBondContact O-N 3.05Å; S293-L296 VanDerWaalsContact O-N 3.08Å; S293-L297 PolarHBondContact O-N 2.89Å
294D92.2Very high90.9Very high94 Ų9476.1 Ų76.150%0.50339%0.387SS..Hα-helixtrans-64.2-38.4175.4-57.7-32.4000112.2G290 L296 L297 S298G290-D294 PolarHBondContact O-N 2.91Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.89Å; D294-L297 PolarHBondContact O-N 2.87Å; D294-S298 WeakPolarHBondContact O-CB 3.48Å; D294-S298 PolarHBondContact O-N 2.94Å; D294-S298 PolarHBondContact O-OG 3Å
295K91.7Very high90.6Very high92 Ų9275 Ų7540%0.438%0.381SS..Hα-helixtrans-61.9-38172.2-72.3167.8-174.5164.50111.9E291 F292 S293 L299E291-K295 VanDerWaalsContact O-CG 3.31Å; E291-K295 WeakPolarHBondContact O-CG 3.35Å; E291-K295 PolarHBondContact O-N 2.84Å; F292-K295 WeakPolarHBondContact O-CB 2.99Å; F292-K295 PolarHBondContact O-N 3.33Å; S293-K295 VanDerWaalsContact C-N 3.34Å; S293-K295 PolarHBondContact O-N 2.83Å; K295-L299 WeakPolarHBondContact O-CB 3.31Å; K295-L299 PolarHBondContact O-N 2.8Å
296L92.1Very high90.4Very high65 Ų6580.7 Ų80.734%0.3441%0.405SS..Hα-helixtrans-68.7-42.8176.7-69.7-178.4000111.9F292 S293 D294 S298 L299 Q300F292-L296 HydrophobicContact CD1-CD1 4.02Å; F292-L296 HydrophobicContact CD1-CG 4.16Å; F292-L296 HydrophobicContact CE1-CD1 3.69Å; F292-L296 HydrophobicContact CE1-CD2 4.08Å; F292-L296 HydrophobicContact CE1-CG 3.87Å; F292-L296 HydrophobicContact CZ-CD2 4.23Å; F292-L296 HydrophobicContact CZ-CG 4.44Å; F292-L296 WeakPolarHBondContact O-CG 3.07Å; F292-L296 PolarHBondContact O-N 2.52Å; S293-L296 WeakPolarHBondContact O-CB 3.2Å; S293-L296 PolarHBondContact O-N 3.05Å; S293-L296 VanDerWaalsContact O-N 3.08Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.89Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-L299 WeakPolarHBondContact O-CB 3.44Å; L296-L299 PolarHBondContact O-N 2.95Å; L296-Q300 WeakPolarHBondContact O-CB 3.41Å; L296-Q300 WeakPolarHBondContact O-CG 3.48Å; L296-Q300 PolarHBondContact O-N 3.5Å
297L88.7Confident89.9Confident96 Ų9679.5 Ų79.550%0.50340%0.402SS..Hα-helixtrans-61-44.2174.1-69.8172.6000111S293 D294 L299 Q300 R301S293-L297 PolarHBondContact O-N 2.89Å; D294-L297 PolarHBondContact O-N 2.87Å; L297-L299 PolarHBondContact O-N 2.8Å; L297-Q300 PolarHBondContact O-N 2.66Å; L297-R301 WeakPolarHBondContact O-CB 3.25Å; L297-R301 PolarHBondContact O-N 3.27Å
298S88.7Confident89.3Confident71 Ų7172.9 Ų72.950%0.49738%0.378SS..Hα-helixtrans-61.1-41.6175.2-640000112.5D294 L296 G302D294-S298 WeakPolarHBondContact O-CB 3.48Å; D294-S298 PolarHBondContact O-N 2.94Å; D294-S298 PolarHBondContact O-OG 3Å; L296-S298 VanDerWaalsContact C-N 3.33Å; S298-G302 PolarHBondContact O-N 2.86Å
299L91.1Very high89Confident68 Ų6874.1 Ų74.136%0.35638%0.383SS..Hα-helixtrans-63-49.3174.6174.670.4000111.5L206 K295 L296 L297 R301 G302 L303L206-L299 HydrophobicContact CD1-CD2 3.61Å; K295-L299 WeakPolarHBondContact O-CB 3.31Å; K295-L299 PolarHBondContact O-N 2.8Å; L296-L299 WeakPolarHBondContact O-CB 3.44Å; L296-L299 PolarHBondContact O-N 2.95Å; L297-L299 PolarHBondContact O-N 2.8Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 2.87Å; L299-G302 PolarHBondContact O-N 3.17Å; L299-L303 HydrophobicContact CD1-CD1 3.86Å; L299-L303 HydrophobicContact CD1-CG 4.03Å; L299-L303 HydrophobicContact CG-CD1 3.98Å; L299-L303 HydrophobicContact CG-CG 4.43Å; L299-L303 WeakPolarHBondContact O-CB 3.41Å; L299-L303 WeakPolarHBondContact O-CG 3.14Å; L299-L303 PolarHBondContact O-N 2.86Å
300Q87.7Confident88.7Confident110 Ų11075.1 Ų75.151%0.51438%0.383SS..Hα-helixtrans-59.2-45.8179.7-75.1178.5-6.400110.9L296 L297 R304L296-Q300 WeakPolarHBondContact O-CB 3.41Å; L296-Q300 WeakPolarHBondContact O-CG 3.48Å; L296-Q300 PolarHBondContact O-N 3.5Å; L297-Q300 PolarHBondContact O-N 2.66Å; Q300-R304 WeakPolarHBondContact O-CB 3.41Å; Q300-R304 VanDerWaalsContact O-CG 3.3Å; Q300-R304 WeakPolarHBondContact O-CG 3.28Å; Q300-R304 PolarHBondContact O-N 3.19Å
301R84.6Confident88.2Confident102 Ų10275.9 Ų75.939%0.38538%0.379SS..Hα-helixtrans-56.3-59173.8-169.2-171.7-55.3-172.6-2.2110.1L297 L299 L303 R304 Q305L297-R301 WeakPolarHBondContact O-CB 3.25Å; L297-R301 PolarHBondContact O-N 3.27Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 2.87Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 2.83Å; R301-R304 PolarHBondContact O-N 3Å; R301-R304 VanDerWaalsContact O-N 3.12Å; R301-Q305 HydrophobicContact CG-CG 4.42Å; R301-Q305 VanDerWaalsContact O-CG 3.23Å; R301-Q305 WeakPolarHBondContact O-CG 3.44Å; R301-Q305 PolarHBondContact O-N 3.22Å
302G88.5Confident87.8Confident34 Ų3473 Ų7335%0.35137%0.365SS..Hα-helixtrans-57.5-39.9-17700000114S298 L299 F306S298-G302 PolarHBondContact O-N 2.86Å; L299-G302 PolarHBondContact O-N 3.17Å; G302-F306 VanDerWaalsContact O-CB 3.27Å; G302-F306 WeakPolarHBondContact O-CB 3.47Å; G302-F306 PolarHBondContact O-N 2.87Å
303L88.1Confident87.5Confident74 Ų7477.2 Ų77.239%0.38739%0.388SS..Hα-helixtrans-68.6-40.9176.9-72.5177.5000112.7L199 L299 R301 F306 Q307L199-L303 HydrophobicContact CD2-CD2 4.04Å; L299-L303 HydrophobicContact CD1-CD1 3.86Å; L299-L303 HydrophobicContact CD1-CG 4.03Å; L299-L303 HydrophobicContact CG-CD1 3.98Å; L299-L303 HydrophobicContact CG-CG 4.43Å; L299-L303 WeakPolarHBondContact O-CB 3.41Å; L299-L303 WeakPolarHBondContact O-CG 3.14Å; L299-L303 PolarHBondContact O-N 2.86Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 2.83Å; L303-F306 PolarHBondContact O-N 2.8Å; L303-Q307 WeakPolarHBondContact O-CB 3.49Å; L303-Q307 PolarHBondContact O-N 2.55Å
304R82.6Confident87.3Confident121 Ų12180 Ų8046%0.45740%0.397SS..Hα-helixtrans-64.9-44.2176.1-74.6179.2-178.9-140.92.6111.7Q300 R301 Q307 G308Q300-R304 WeakPolarHBondContact O-CB 3.41Å; Q300-R304 VanDerWaalsContact O-CG 3.3Å; Q300-R304 WeakPolarHBondContact O-CG 3.28Å; Q300-R304 PolarHBondContact O-N 3.19Å; R301-R304 PolarHBondContact O-N 3Å; R301-R304 VanDerWaalsContact O-N 3.12Å; R304-Q307 PolarHBondContact O-N 2.99Å; R304-G308 PolarHBondContact O-N 3.39Å
305Q85.2Confident87.2Confident60 Ų6079.9 Ų79.928%0.2839%0.393SS..Hα-helixtrans-61.2-45.7176.4-64.7-176.4-23.400111.3R301 G308 K309 S513 Q514R301-Q305 HydrophobicContact CG-CG 4.42Å; R301-Q305 VanDerWaalsContact O-CG 3.23Å; R301-Q305 WeakPolarHBondContact O-CG 3.44Å; R301-Q305 PolarHBondContact O-N 3.22Å; Q305-G308 PolarHBondContact O-N 3.16Å; Q305-K309 WeakPolarHBondContact O-CB 3.47Å; Q305-K309 PolarHBondContact O-N 2.85Å; Q305-S513 WeakPolarHBondContact CB-O 3.24Å; Q305-S513 WeakPolarHBondContact CG-O 3.47Å; Q305-S513 PolarHBondContact NE2-O 3.34Å; Q305-S513 VanDerWaalsContact NE2-O 3.12Å; Q305-Q514 HydrophobicContact CB-CB 4.19Å
306F86.8Confident87.3Confident127 Ų12776.7 Ų76.756%0.55738%0.379SS*.Hα-helixtrans-60.4-46.3175.7177.3-103.6000111.7G302 L303 K309 L310G302-F306 VanDerWaalsContact O-CB 3.27Å; G302-F306 WeakPolarHBondContact O-CB 3.47Å; G302-F306 PolarHBondContact O-N 2.87Å; L303-F306 PolarHBondContact O-N 2.8Å; F306-K309 PolarHBondContact O-N 3.25Å; F306-L310 HydrophobicContact CE1-CD2 4.06Å; F306-L310 HydrophobicContact CZ-CD2 4.14Å; F306-L310 VanDerWaalsContact O-CB 3.24Å; F306-L310 WeakPolarHBondContact O-CB 3.5Å; F306-L310 PolarHBondContact O-N 3.12Å
307Q83.8Confident87.3Confident101 Ų10180.9 Ų80.947%0.47240%0.395SS..Hα-helixtrans-60.9-48.2177.6-178.8-179.1-300111.7L303 R304 L310 L311L303-Q307 WeakPolarHBondContact O-CB 3.49Å; L303-Q307 PolarHBondContact O-N 2.55Å; R304-Q307 PolarHBondContact O-N 2.99Å; Q307-L310 PolarHBondContact O-N 2.77Å; Q307-L311 HydrophobicContact CG-CD1 4.08Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 WeakPolarHBondContact O-CG 3.42Å; Q307-L311 PolarHBondContact O-N 2.94Å
308G80.9Confident87.6Confident3 Ų380.5 Ų80.53%0.03140%0.396CS..Hα-helixtrans-58.1-51177.800000111.2R304 Q305 L310 L311 R312R304-G308 PolarHBondContact O-N 3.39Å; Q305-G308 PolarHBondContact O-N 3.16Å; G308-L310 PolarHBondContact O-N 3.18Å; G308-L311 PolarHBondContact O-N 3.46Å; G308-R312 WeakPolarHBondContact O-CG 3.45Å; G308-R312 PolarHBondContact O-N 3.37Å; G308-R312 VanDerWaalsContact O-N 3.09Å
309K86.5Confident87.9Confident106 Ų10678.5 Ų78.546%0.46138%0.381SS..Hα-helixtrans-57.5-49176.9-173.5171.5-179.1176.60112.9Q305 F306 L311 R312 D313 Q514Q305-K309 WeakPolarHBondContact O-CB 3.47Å; Q305-K309 PolarHBondContact O-N 2.85Å; F306-K309 PolarHBondContact O-N 3.25Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-L311 PolarHBondContact O-N 2.88Å; K309-R312 PolarHBondContact O-N 2.91Å; K309-D313 WeakPolarHBondContact O-CB 3.33Å; K309-D313 VanDerWaalsContact O-CG 3.32Å; K309-D313 PolarHBondContact O-N 2.75Å; K309-Q514 HydrophobicContact CB-CB 4.47Å; K309-Q514 VanDerWaalsContact CB-OE1 3.26Å
310L87.4Confident88Confident61 Ų6179 Ų7932%0.31939%0.39SS..Hα-helixtrans-62.4-42.4-177.8-169.269.4000111.7F306 Q307 G308 L314F306-L310 HydrophobicContact CE1-CD2 4.06Å; F306-L310 HydrophobicContact CZ-CD2 4.14Å; F306-L310 VanDerWaalsContact O-CB 3.24Å; F306-L310 WeakPolarHBondContact O-CB 3.5Å; F306-L310 PolarHBondContact O-N 3.12Å; Q307-L310 PolarHBondContact O-N 2.77Å; G308-L310 PolarHBondContact O-N 3.18Å; L310-L314 HydrophobicContact CD1-CD1 3.41Å; L310-L314 VanDerWaalsContact CD1-CD1 3.41Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-L314 HydrophobicContact CD2-CD1 4.49Å; L310-L314 HydrophobicContact CG-CD1 3.74Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 VanDerWaalsContact O-CB 3.26Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.07Å
311L83.9Confident88.4Confident49 Ų4974.2 Ų74.226%0.25737%0.368SS..Hα-helixtrans-59.8-50.4175.8-77.6170.8000110.9Q307 G308 K309 D313 E315 Y316Q307-L311 HydrophobicContact CG-CD1 4.08Å; Q307-L311 WeakPolarHBondContact O-CB 3.26Å; Q307-L311 WeakPolarHBondContact O-CG 3.42Å; Q307-L311 PolarHBondContact O-N 2.94Å; G308-L311 PolarHBondContact O-N 3.46Å; K309-L311 VanDerWaalsContact C-N 3.35Å; K309-L311 PolarHBondContact O-N 2.88Å; L311-D313 PolarHBondContact O-N 3.14Å; L311-E315 HydrophobicContact CD2-CG 4.35Å; L311-E315 WeakPolarHBondContact CD2-OE1 3.15Å; L311-E315 WeakPolarHBondContact O-CB 3.33Å; L311-E315 PolarHBondContact O-N 3.38Å; L311-Y316 HydrophobicContact CB-CE2 4.38Å; L311-Y316 WeakPolarHBondContact O-CD2 3.49Å
312R85.6Confident89Confident23 Ų2371.2 Ų71.29%0.08736%0.362CS..Hα-helixtrans-59.6-48.4179.7-65.4-158.7-38.1-62.8-29.1112.4G308 K309 Y316 Y375 Q514G308-R312 WeakPolarHBondContact O-CG 3.45Å; G308-R312 PolarHBondContact O-N 3.37Å; G308-R312 VanDerWaalsContact O-N 3.09Å; K309-R312 PolarHBondContact O-N 2.91Å; R312-Y316 PolarHBondContact O-N 2.9Å; R312-Y375 VanDerWaalsContact CD-OH 3.25Å; R312-Y375 WeakPolarHBondContact CD-OH 3.1Å; R312-Y375 HydrophobicContact CG-CD2 4.33Å; R312-Y375 HydrophobicContact CG-CE2 4.14Å; R312-Y375 PolarHBondContact NE-OH 2.86Å; R312-Q514 VanDerWaalsContact NH2-CD 3.34Å
313D88.4Confident89.4Confident103 Ų10369.8 Ų69.855%0.55135%0.346SS*.Hα-helixtrans-73.7-29.7-173.2-67.3-7.2000112.9K309 L311K309-D313 WeakPolarHBondContact O-CB 3.33Å; K309-D313 VanDerWaalsContact O-CG 3.32Å; K309-D313 PolarHBondContact O-N 2.75Å; L311-D313 PolarHBondContact O-N 3.14Å
314L89.6Confident89.8Confident121 Ų12168.2 Ų68.263%0.63434%0.338SS*.Hα-helixtrans-99.8-31.1-175.9-62.9-172.1000114.6L310L310-L314 HydrophobicContact CD1-CD1 3.41Å; L310-L314 VanDerWaalsContact CD1-CD1 3.41Å; L310-L314 HydrophobicContact CD1-CG 3.91Å; L310-L314 HydrophobicContact CD2-CD1 4.49Å; L310-L314 HydrophobicContact CG-CD1 3.74Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 VanDerWaalsContact O-CB 3.26Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.07Å
315E89.7Confident90.3Very high90 Ų9065.2 Ų65.242%0.42133%0.334SS..Hα-helixtrans-109.2-32.9-170.4-58.1-164.3-177.300114.3L311 K373L311-E315 HydrophobicContact CD2-CG 4.35Å; L311-E315 WeakPolarHBondContact CD2-OE1 3.15Å; L311-E315 WeakPolarHBondContact O-CB 3.33Å; L311-E315 PolarHBondContact O-N 3.38Å; E315-K373 HydrophobicContact CB-CD 4.03Å; E315-K373 WeakPolarHBondContact O-CB 3.47Å; E315-K373 WeakPolarHBondContact O-CD 3.3Å; E315-K373 IonicContact OE2-NZ 3.42Å; E315-K373 PolarHBondContact OE2-NZ 3.08Å
316Y92.5Very high90.6Very high26 Ų2667.6 Ų67.610%0.10235%0.345CS..PPolyproline II helixtrans-103.4141.9-170.7-64.2-88.1000112.1L311 R312 K373 A498 D500L311-Y316 HydrophobicContact CB-CE2 4.38Å; L311-Y316 WeakPolarHBondContact O-CD2 3.49Å; R312-Y316 PolarHBondContact O-N 2.9Å; Y316-K373 HydrophobicContact CD1-CB 3.64Å; Y316-K373 HydrophobicContact CD1-CG 4.47Å; Y316-K373 HydrophobicContact CE1-CB 3.95Å; Y316-K373 HydrophobicContact CE1-CD 4.43Å; Y316-K373 HydrophobicContact CE1-CG 4.31Å; Y316-K373 HydrophobicContact CG-CB 4.3Å; Y316-A498 HydrophobicContact CD1-CB 3.88Å; Y316-A498 HydrophobicContact CD2-CB 4.28Å; Y316-A498 HydrophobicContact CE1-CB 3.66Å; Y316-A498 HydrophobicContact CE2-CB 4.06Å; Y316-A498 HydrophobicContact CG-CB 4.21Å; Y316-D500 HydrophobicContact CE1-CB 4.22Å
317K93.2Very high91Very high153 Ų15361.6 Ų61.667%0.66532%0.319SS*.EExtended strand (participates in β ladder)trans-91116.7169.2-176.7179.7178.7-179.50109.7V319 K373 V374 Y375K317-V319 HydrophobicContact CG-CG1 4.47Å; K317-V319 PolarHBondContact O-N 2.98Å; K317-K373 PolarHBondContact N-O 3.14Å; K317-V374 WeakPolarHBondContact O-CA 3.43Å; K317-Y375 PolarHBondContact O-N 3.18Å
318T94Very high91.4Very high87 Ų8757.1 Ų57.153%0.53430%0.299SS..EExtended strand (participates in β ladder)trans-60.3128.3170.7-53.80000111Y375 P545T318-Y375 CarbonylContact C-O 3.5Å; T318-Y375 WeakPolarHBondContact CA-O 3.48Å; T318-P545 WeakPolarHBondContact CG2-OXT 3.41Å
319V94.8Very high92Very high29 Ų2957 Ų5718%0.17630%0.298CS..  trans-131.1134.6-175.9-67.80000112.3K317 V321 F369 V374 Y375 W376K317-V319 HydrophobicContact CG-CG1 4.47Å; K317-V319 PolarHBondContact O-N 2.98Å; V319-V321 HydrophobicContact CG2-CG2 4.27Å; V319-V321 PolarHBondContact O-N 2.83Å; V319-F369 HydrophobicContact CG2-CE1 4.21Å; V319-F369 HydrophobicContact CG2-CZ 3.9Å; V319-V374 HydrophobicContact CG1-CB 4.32Å; V319-V374 HydrophobicContact CG1-CG1 4.03Å; V319-V374 HydrophobicContact CG2-CB 3.99Å; V319-V374 HydrophobicContact CG2-CG1 4.49Å; V319-Y375 WeakPolarHBondContact CG2-O 2.99Å; V319-Y375 PolarHBondContact N-O 3.32Å; V319-W376 HydrophobicContact CG2-CB 4.49Å; V319-W376 HydrophobicContact CG2-CE3 4.08Å
320S94.9Very high92.3Very high80 Ų8052.2 Ų52.256%0.55928%0.279SS*.  trans-77.6110.5173-171.20000110.6K339S320-K339 PolarHBondContact OG-NZ 2.88Å
321V95.2Very high92.5Very high8 Ų852.6 Ų52.65%0.04828%0.276CS..  trans-94141.8178.9175.20000111.3V319 K339 W376 P530 L543V319-V321 HydrophobicContact CG2-CG2 4.27Å; V319-V321 PolarHBondContact O-N 2.83Å; V321-K339 WeakPolarHBondContact O-CD 3.18Å; V321-K339 WeakPolarHBondContact O-CE 3.27Å; V321-K339 PolarHBondContact O-NZ 2.8Å; V321-W376 HydrophobicContact CB-CG 4.43Å; V321-W376 HydrophobicContact CG2-CB 3.81Å; V321-W376 HydrophobicContact CG2-CD2 3.77Å; V321-W376 HydrophobicContact CG2-CE3 4.15Å; V321-W376 HydrophobicContact CG2-CG 3.59Å; V321-P530 HydrophobicContact CB-CG 4.45Å; V321-P530 HydrophobicContact CG1-CB 3.8Å; V321-P530 HydrophobicContact CG1-CG 3.53Å; V321-P530 HydrophobicContact CG2-CG 4Å; V321-L543 HydrophobicContact CB-CD1 4.28Å; V321-L543 HydrophobicContact CB-CD2 4.25Å; V321-L543 HydrophobicContact CG1-CD1 3.84Å; V321-L543 HydrophobicContact CG1-CD2 4.1Å; V321-L543 WeakPolarHBondContact O-CD1 3.33Å
322T97.1Very high93Very high40 Ų4050.9 Ų50.925%0.24527%0.267CS..  trans-125.9153171.243.80000109.8K339 G365 S366T322-K339 HydrophobicContact CG2-CD 4.05Å; T322-G365 CarbonylContact O-C 3.55Å; T322-G365 VanDerWaalsContact O-CA 3.3Å; T322-G365 WeakPolarHBondContact O-CA 3.35Å; T322-S366 PolarHBondContact O-N 2.84Å; T322-S366 PolarHBondContact O-OG 3.42Å; T322-S366 PolarHBondContact OG1-OG 3.38Å
323L97.2Very high93.4Very high3 Ų354.5 Ų54.52%0.01629%0.285CS..BIsolated β-bridgetrans-81.8149.8178.9-60.6174.4000111.6P325 L334 W338 V341 V363 L532 L543L323-P325 WeakPolarHBondContact O-CD 3.41Å; L323-L334 HydrophobicContact CB-CD1 4.24Å; L323-L334 HydrophobicContact CD1-CD2 3.73Å; L323-W338 HydrophobicContact CB-CB 4.41Å; L323-W338 WeakPolarHBondContact CB-O 3.34Å; L323-W338 WeakPolarHBondContact CG-O 3.27Å; L323-W338 PolarHBondContact N-O 2.75Å; L323-V341 HydrophobicContact CD1-CB 3.96Å; L323-V341 HydrophobicContact CD1-CG1 4.28Å; L323-V363 HydrophobicContact CB-CG2 4.09Å; L323-V363 HydrophobicContact CD1-CG1 4.28Å; L323-V363 HydrophobicContact CD2-CG1 4.05Å; L323-V363 HydrophobicContact CD2-CG2 4.25Å; L323-L532 HydrophobicContact CD1-CD1 4.29Å; L323-L532 HydrophobicContact CD2-CD1 3.78Å; L323-L532 HydrophobicContact CD2-CG 4.31Å; L323-L543 HydrophobicContact CD1-CD1 4.43Å; L323-L543 HydrophobicContact CD2-CD1 3.73Å; L323-L543 HydrophobicContact CG-CD1 3.69Å
324D95.4Very high93.7Very high42 Ų4250.5 Ų50.523%0.22526%0.263CS..  trans-92.3106.8172.8176.414000110.1Q326 S327 A328 L364D324-Q326 PolarHBondContact O-N 3Å; D324-Q326 PolarHBondContact OD1-N 3.1Å; D324-S327 PolarHBondContact O-N 3.25Å; D324-S327 PolarHBondContact O-OG 2.78Å; D324-A328 PolarHBondContact O-N 2.81Å; D324-L364 PolarHBondContact N-O 3.46Å
325P94.1Very high93.9Very high58 Ų5846.2 Ų46.238%0.37724%0.244SC..THydrogen-bonded Turntrans-62.2-25.1-179.423.6-33000113.9L323 S327 A328 L334 W338L323-P325 WeakPolarHBondContact O-CD 3.41Å; P325-S327 PolarHBondContact O-N 3Å; P325-A328 PolarHBondContact O-N 3.42Å; P325-L334 HydrophobicContact CB-CD1 4.18Å; P325-W338 HydrophobicContact CB-CD2 4.49Å; P325-W338 HydrophobicContact CB-CE3 3.9Å; P325-W338 HydrophobicContact CB-CH2 3.77Å; P325-W338 HydrophobicContact CB-CZ2 4.38Å; P325-W338 HydrophobicContact CB-CZ3 3.52Å; P325-W338 HydrophobicContact CG-CD2 4.29Å; P325-W338 HydrophobicContact CG-CE3 4.19Å; P325-W338 HydrophobicContact CG-CH2 4.09Å; P325-W338 HydrophobicContact CG-CZ2 4.19Å; P325-W338 HydrophobicContact CG-CZ3 4.11Å
326Q92Very high94.1Very high110 Ų11051 Ų5151%0.51427%0.266SS..THydrogen-bonded Turntrans-74.5-19.6178.2-61.3-175.1200112.6D324 Q355 Q356D324-Q326 PolarHBondContact O-N 3Å; D324-Q326 PolarHBondContact OD1-N 3.1Å; Q326-Q355 CarbonylContact O-C 3.58Å; Q326-Q356 PolarHBondContact O-N 3.36Å
327S94Very high94.2Very high0 Ų054.2 Ų54.20%029%0.285CS..THydrogen-bonded Turntrans-87.9-24.4177.576.10000113D324 P325 S329 Q356 F357 L364D324-S327 PolarHBondContact O-N 3.25Å; D324-S327 PolarHBondContact O-OG 2.78Å; P325-S327 PolarHBondContact O-N 3Å; S327-S329 PolarHBondContact O-N 2.88Å; S327-Q356 WeakPolarHBondContact O-CA 3.38Å; S327-F357 VanDerWaalsContact O-CD2 3.24Å; S327-F357 WeakPolarHBondContact O-CD2 3.26Å; S327-F357 PolarHBondContact O-N 2.74Å; S327-F357 VanDerWaalsContact O-N 3.17Å; S327-L364 PolarHBondContact OG-N 2.94Å
328A93.9Very high94.3Very high7 Ų752 Ų526%0.05827%0.273CS..SBendtrans-64131.9-17100000112.4D324 P325 L334 Q356 V363D324-A328 PolarHBondContact O-N 2.81Å; P325-A328 PolarHBondContact O-N 3.42Å; A328-L334 HydrophobicContact CB-CD1 3.89Å; A328-L334 HydrophobicContact CB-CG 4.25Å; A328-Q356 VanDerWaalsContact O-CG 3.25Å; A328-Q356 WeakPolarHBondContact O-CG 3.49Å; A328-Q356 PolarHBondContact O-NE2 2.81Å; A328-V363 HydrophobicContact CB-CB 4.12Å; A328-V363 HydrophobicContact CB-CG2 3.74Å
329S93.5Very high94.4Very high2 Ų249.5 Ų49.51%0.01425%0.254CS..  trans-56.5148.6172.1-174.10000112.6S327 Y331 L332 F357 E360 G362S327-S329 PolarHBondContact O-N 2.88Å; S329-Y331 PolarHBondContact O-N 2.94Å; S329-Y331 VanDerWaalsContact O-N 3.14Å; S329-Y331 WeakPolarHBondContact OG-CD2 3.17Å; S329-L332 WeakPolarHBondContact O-CB 3.47Å; S329-L332 PolarHBondContact O-N 2.82Å; S329-F357 WeakPolarHBondContact CA-O 3.48Å; S329-F357 PolarHBondContact OG-O 3.2Å; S329-E360 WeakPolarHBondContact CB-O 3.18Å; S329-E360 PolarHBondContact OG-O 3.44Å; S329-G362 PolarHBondContact N-O 3.2Å
330G91.5Very high94.5Very high5 Ų549.1 Ų49.15%0.05225%0.253CS..THydrogen-bonded Turntrans-64.8-13.4176.300000114.1L332 Q348G330-L332 VanDerWaalsContact C-N 3.31Å; G330-Q348 PolarHBondContact O-N 2.94Å
331Y92.2Very high94.5Very high68 Ų6845.3 Ų45.327%0.26723%0.226SC..THydrogen-bonded Turntrans-80.2-11.9172.2-63.4-71.1000113.9S329 Y343 T344 Y347 C359S329-Y331 PolarHBondContact O-N 2.94Å; S329-Y331 VanDerWaalsContact O-N 3.14Å; S329-Y331 WeakPolarHBondContact OG-CD2 3.17Å; Y331-Y343 HydrophobicContact CG-CE2 4.27Å; Y331-T344 PolarHBondContact O-N 3.33Å; Y331-T344 PolarHBondContact O-OG1 3.32Å; Y331-Y347 HydrophobicContact CD1-CD2 4.2Å; Y331-Y347 AromaticContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CE2 4.4Å; Y331-Y347 HydrophobicContact CE1-CD2 4Å; Y331-Y347 HydrophobicContact CE1-CG 4.37Å; Y331-Y347 AromaticContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CE2 4.24Å; Y331-Y347 HydrophobicContact CG-CD2 4.12Å; Y331-Y347 AromaticContact CZ-CD2 3.7Å; Y331-C359 WeakPolarHBondContact CE2-O 3.41Å
332L93.9Very high94.5Very high13 Ų1346.7 Ų46.77%0.06824%0.235CC..EExtended strand (participates in β ladder)trans-103.6140.3-174.6-63177.9000111.2S329 G330 V341 T342 Y343 P361 G362 V363 L534S329-L332 WeakPolarHBondContact O-CB 3.47Å; S329-L332 PolarHBondContact O-N 2.82Å; G330-L332 VanDerWaalsContact C-N 3.31Å; L332-V341 HydrophobicContact CB-CG2 3.98Å; L332-V341 HydrophobicContact CD1-CG2 3.84Å; L332-V341 HydrophobicContact CD2-CG2 3.73Å; L332-V341 HydrophobicContact CG-CG2 4.06Å; L332-T342 WeakPolarHBondContact CA-O 3.36Å; L332-Y343 HydrophobicContact CD2-CD2 4.27Å; L332-P361 WeakPolarHBondContact CD1-O 3.46Å; L332-P361 HydrophobicContact CD2-CB 3.94Å; L332-P361 HydrophobicContact CG-CB 4.22Å; L332-G362 WeakPolarHBondContact CD1-O 3.21Å; L332-V363 HydrophobicContact CD1-CB 3.96Å; L332-V363 HydrophobicContact CD1-CG1 4.06Å; L332-L534 HydrophobicContact CD2-CB 4.17Å
333H93.8Very high94.3Very high99 Ų9946.9 Ų46.946%0.45823%0.231SC..EExtended strand (participates in β ladder)trans-111.7131.9167.7175.6-84.2000109.6V341 T342 T344H333-V341 WeakPolarHBondContact O-CA 3.09Å; H333-T342 WeakPolarHBondContact CB-OG1 3.45Å; H333-T342 PolarHBondContact N-O 2.92Å; H333-T342 PolarHBondContact O-N 2.79Å; H333-T342 PolarHBondContact O-OG1 2.84Å; H333-T344 HydrophobicContact CB-CG2 3.62Å
334L94.8Very high93.9Very high19 Ų1948.9 Ų48.910%0.09924%0.244CC..EExtended strand (participates in β ladder)trans-107145.7180-56.4-174.3000110.8L323 P325 A328 W338 C340 V341 V363L323-L334 HydrophobicContact CB-CD1 4.24Å; L323-L334 HydrophobicContact CD1-CD2 3.73Å; P325-L334 HydrophobicContact CB-CD1 4.18Å; A328-L334 HydrophobicContact CB-CD1 3.89Å; A328-L334 HydrophobicContact CB-CG 4.25Å; L334-W338 HydrophobicContact CB-CE3 3.66Å; L334-W338 HydrophobicContact CB-CZ3 3.72Å; L334-W338 HydrophobicContact CD1-CE3 3.64Å; L334-W338 HydrophobicContact CD1-CZ3 3.89Å; L334-W338 HydrophobicContact CG-CE3 4.32Å; L334-W338 HydrophobicContact CG-CZ3 4.41Å; L334-C340 WeakPolarHBondContact CA-O 3.34Å; L334-V341 HydrophobicContact CD2-CB 3.65Å; L334-V341 HydrophobicContact CD2-CG2 3.71Å; L334-V363 HydrophobicContact CD1-CG2 4.39Å; L334-V363 HydrophobicContact CD2-CG2 4.45Å
335S94.9Very high93.3Very high31 Ų3148.9 Ų48.922%0.21725%0.253CS..  trans-68.8160171.356.10000112.6D337 W338 K339 C340S335-D337 WeakPolarHBondContact CB-OD1 3.47Å; S335-D337 PolarHBondContact O-N 2.94Å; S335-D337 PolarHBondContact OG-OD1 2.97Å; S335-W338 PolarHBondContact O-N 3Å; S335-K339 PolarHBondContact OG-N 3.14Å; S335-C340 PolarHBondContact N-O 3.04Å; S335-C340 WeakPolarHBondContact OG-CB 3.35Å; S335-C340 PolarHBondContact OG-N 3.34Å
336E94.2Very high92.8Very high190 Ų19053.2 Ų53.289%0.88827%0.268SS*.THydrogen-bonded Turntrans-59.5-29.1-179.8-64.1-174.9169.800113.8W338E336-W338 VanDerWaalsContact C-N 3.32Å; E336-W338 PolarHBondContact O-NE1 3.47Å
337D94Very high92.4Very high95 Ų9551.7 Ų51.751%0.50826%0.259SS..THydrogen-bonded Turntrans-85.9-2.5177.269.8-9.8000113.7S335 K339S335-D337 WeakPolarHBondContact CB-OD1 3.47Å; S335-D337 PolarHBondContact O-N 2.94Å; S335-D337 PolarHBondContact OG-OD1 2.97Å; D337-K339 HydrophobicContact CB-CG 4.28Å; D337-K339 PolarHBondContact O-N 3.21Å; D337-K339 WeakPolarHBondContact OD1-CB 3.36Å; D337-K339 PolarHBondContact OD1-N 3.47Å; D337-K339 WeakPolarHBondContact OD2-CB 3.34Å; D337-K339 WeakPolarHBondContact OD2-CG 3.44Å
338W95.9Very high91.7Very high106 Ų10656.7 Ų56.740%0.40228%0.282SS..SBendtrans58.430.8-177.2-44.2105.8000113.7L323 P325 L334 S335 E336L323-W338 HydrophobicContact CB-CB 4.41Å; L323-W338 WeakPolarHBondContact CB-O 3.34Å; L323-W338 WeakPolarHBondContact CG-O 3.27Å; L323-W338 PolarHBondContact N-O 2.75Å; P325-W338 HydrophobicContact CB-CD2 4.49Å; P325-W338 HydrophobicContact CB-CE3 3.9Å; P325-W338 HydrophobicContact CB-CH2 3.77Å; P325-W338 HydrophobicContact CB-CZ2 4.38Å; P325-W338 HydrophobicContact CB-CZ3 3.52Å; P325-W338 HydrophobicContact CG-CD2 4.29Å; P325-W338 HydrophobicContact CG-CE3 4.19Å; P325-W338 HydrophobicContact CG-CH2 4.09Å; P325-W338 HydrophobicContact CG-CZ2 4.19Å; P325-W338 HydrophobicContact CG-CZ3 4.11Å; L334-W338 HydrophobicContact CB-CE3 3.66Å; L334-W338 HydrophobicContact CB-CZ3 3.72Å; L334-W338 HydrophobicContact CD1-CE3 3.64Å; L334-W338 HydrophobicContact CD1-CZ3 3.89Å; L334-W338 HydrophobicContact CG-CE3 4.32Å; L334-W338 HydrophobicContact CG-CZ3 4.41Å; S335-W338 PolarHBondContact O-N 3Å; E336-W338 VanDerWaalsContact C-N 3.32Å; E336-W338 PolarHBondContact O-NE1 3.47Å
339K96.1Very high90.8Very high34 Ų3458.1 Ų58.115%0.14829%0.291CS..  trans-106.2-20.1178.8-65.8-66.4-164.8152.60113.7S320 V321 T322 S335 D337 L542 L543S320-K339 PolarHBondContact OG-NZ 2.88Å; V321-K339 WeakPolarHBondContact O-CD 3.18Å; V321-K339 WeakPolarHBondContact O-CE 3.27Å; V321-K339 PolarHBondContact O-NZ 2.8Å; T322-K339 HydrophobicContact CG2-CD 4.05Å; S335-K339 PolarHBondContact OG-N 3.14Å; D337-K339 HydrophobicContact CB-CG 4.28Å; D337-K339 PolarHBondContact O-N 3.21Å; D337-K339 WeakPolarHBondContact OD1-CB 3.36Å; D337-K339 PolarHBondContact OD1-N 3.47Å; D337-K339 WeakPolarHBondContact OD2-CB 3.34Å; D337-K339 WeakPolarHBondContact OD2-CG 3.44Å; K339-L542 CarbonylContact O-C 3.56Å; K339-L542 WeakPolarHBondContact O-CA 3.23Å; K339-L543 HydrophobicContact CD-CB 3.98Å; K339-L543 PolarHBondContact O-N 3.43Å
340C95.8Very high89.6Confident21 Ų2165.8 Ų65.814%0.14233%0.332CS..EExtended strand (participates in β ladder)trans-119141.4-177.8-176.20000110.4L334 S335 L541 L542L334-C340 WeakPolarHBondContact CA-O 3.34Å; S335-C340 PolarHBondContact N-O 3.04Å; S335-C340 WeakPolarHBondContact OG-CB 3.35Å; S335-C340 PolarHBondContact OG-N 3.34Å; C340-L541 CarbonylContact C-O 3.54Å; C340-L541 VanDerWaalsContact CA-O 3.29Å; C340-L541 WeakPolarHBondContact CA-O 3.47Å; C340-L542 HydrophobicContact CB-CG 4.43Å
341V95.9Very high88.5Confident1 Ų170 Ų701%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-126.1137171.557.30000110L323 L332 H333 L334 V363 L532 R540 L541L323-V341 HydrophobicContact CD1-CB 3.96Å; L323-V341 HydrophobicContact CD1-CG1 4.28Å; L332-V341 HydrophobicContact CB-CG2 3.98Å; L332-V341 HydrophobicContact CD1-CG2 3.84Å; L332-V341 HydrophobicContact CD2-CG2 3.73Å; L332-V341 HydrophobicContact CG-CG2 4.06Å; H333-V341 WeakPolarHBondContact O-CA 3.09Å; L334-V341 HydrophobicContact CD2-CB 3.65Å; L334-V341 HydrophobicContact CD2-CG2 3.71Å; V341-V363 HydrophobicContact CG2-CG1 4.27Å; V341-L532 HydrophobicContact CG1-CD1 3.76Å; V341-R540 CarbonylContact O-C 3.55Å; V341-R540 VanDerWaalsContact O-CA 3.23Å; V341-R540 WeakPolarHBondContact O-CA 3.38Å; V341-R540 WeakPolarHBondContact O-CB 3.44Å; V341-L541 HydrophobicContact CG1-CB 3.67Å; V341-L541 HydrophobicContact CG1-CD1 4.25Å; V341-L541 HydrophobicContact CG1-CG 4.37Å; V341-L541 PolarHBondContact N-O 3.48Å; V341-L541 PolarHBondContact O-N 3.08Å
342T94.8Very high87.6Confident37 Ų3772 Ų7223%0.22738%0.375CS..EExtended strand (participates in β ladder)trans-127.9141.5-179.745.10000109.5L332 H333 R540L332-T342 WeakPolarHBondContact CA-O 3.36Å; H333-T342 WeakPolarHBondContact CB-OG1 3.45Å; H333-T342 PolarHBondContact N-O 2.92Å; H333-T342 PolarHBondContact O-N 2.79Å; H333-T342 PolarHBondContact O-OG1 2.84Å; T342-R540 HydrophobicContact CG2-CB 3.56Å
343Y93.2Very high86.9Confident43 Ų4375 Ų7517%0.16939%0.39CS..EExtended strand (participates in β ladder)trans-92127.9174.7179.6-111.1000110.3Y331 L332 P361 L534 K535 P537Y331-Y343 HydrophobicContact CG-CE2 4.27Å; L332-Y343 HydrophobicContact CD2-CD2 4.27Å; Y343-P361 HydrophobicContact CD2-CB 3.89Å; Y343-P361 HydrophobicContact CD2-CG 4.47Å; Y343-P361 HydrophobicContact CE2-CB 3.87Å; Y343-P361 HydrophobicContact CE2-CG 4.23Å; Y343-L534 WeakPolarHBondContact CB-O 3.36Å; Y343-L534 WeakPolarHBondContact CD2-O 3.49Å; Y343-K535 HydrophobicContact CE1-CG 4.37Å; Y343-K535 HydrophobicContact CE2-CG 4.36Å; Y343-P537 HydrophobicContact CD1-CG 4.27Å; Y343-P537 HydrophobicContact CE1-CG 4.3Å
344T88Confident86.4Confident46 Ų4675.2 Ų75.228%0.28240%0.401SS..  trans-104.1-9.5-172.466.10000113.6Y331 H333 Q346 Q348Y331-T344 PolarHBondContact O-N 3.33Å; Y331-T344 PolarHBondContact O-OG1 3.32Å; H333-T344 HydrophobicContact CB-CG2 3.62Å; T344-Q346 PolarHBondContact O-N 2.77Å; T344-Q346 PolarHBondContact OG1-O 3.31Å; T344-Q348 VanDerWaalsContact CB-NE2 3.3Å; T344-Q348 PolarHBondContact OG1-NE2 2.8Å
345G82.8Confident86Confident41 Ų4178.3 Ų78.342%0.42341%0.414SS..SBendtrans69.4-22.2-177.900000115.3
346Q83Confident85.8Confident149 Ų14977.4 Ų77.470%0.69641%0.407SS*.SBendtrans-110.4136.4179.3-63.9-178.7100110T344 Q348T344-Q346 PolarHBondContact O-N 2.77Å; T344-Q346 PolarHBondContact OG1-O 3.31Å; Q346-Q348 WeakPolarHBondContact O-CG 3.22Å; Q346-Q348 PolarHBondContact O-N 2.72Å
347Y84.8Confident85.6Confident78 Ų7868.4 Ų68.431%0.30637%0.365SS..  trans-75117176.8-165.4-95.3000110.1Y331 S349 L352Y331-Y347 HydrophobicContact CD1-CD2 4.2Å; Y331-Y347 AromaticContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CD2 3.85Å; Y331-Y347 HydrophobicContact CD2-CE2 4.4Å; Y331-Y347 HydrophobicContact CE1-CD2 4Å; Y331-Y347 HydrophobicContact CE1-CG 4.37Å; Y331-Y347 AromaticContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CD2 3.62Å; Y331-Y347 HydrophobicContact CE2-CE2 4.24Å; Y331-Y347 HydrophobicContact CG-CD2 4.12Å; Y331-Y347 AromaticContact CZ-CD2 3.7Å; Y347-S349 WeakPolarHBondContact CE1-O 3.35Å; Y347-L352 WeakPolarHBondContact OH-CD2 3.37Å
348Q78.3Confident85.3Confident106 Ų10665.6 Ų65.650%0.49535%0.349SS..  trans-102.4-2.8-171-54.5-172-200114.4G330 T344 Q346G330-Q348 PolarHBondContact O-N 2.94Å; T344-Q348 VanDerWaalsContact CB-NE2 3.3Å; T344-Q348 PolarHBondContact OG1-NE2 2.8Å; Q346-Q348 WeakPolarHBondContact O-CG 3.22Å; Q346-Q348 PolarHBondContact O-N 2.72Å
349S75.8Confident84.7Confident36 Ų3663.7 Ų63.725%0.25235%0.352SS..  trans-92.6119.9-175.2-165.50000112Y347 C351Y347-S349 WeakPolarHBondContact CE1-O 3.35Å; S349-C351 PolarHBondContact O-N 3.15Å; S349-C351 PolarHBondContact OG-O 2.99Å
350D67.4Low84.3Confident164 Ų16464.3 Ų64.388%0.87736%0.355SS*.SBendtrans-69.3-19.9175.9-66.2-31.9000113
351C68.5Low84.2Confident92 Ų9263.5 Ų63.562%0.62235%0.35SS*.SBendtrans-141.4131.6-175.9-72.40000111.2S349 L353 Q356S349-C351 PolarHBondContact O-N 3.15Å; S349-C351 PolarHBondContact OG-O 2.99Å; C351-L353 PolarHBondContact O-N 2.98Å; C351-Q356 PolarHBondContact O-OE1 3.43Å
352L74.1Confident84.1Confident112 Ų11263.4 Ų63.459%0.58635%0.349SS*.  trans-75.3104.2175.3-75.4162.1000110.3Y347 D358Y347-L352 WeakPolarHBondContact OH-CD2 3.37Å; L352-D358 HydrophobicContact CD2-CB 3.88Å
353L78.4Confident84.2Confident76 Ų7661.7 Ų61.740%0.39834%0.338SS..  trans-67.1145.4171.9-67.5174000110.2C351 Q355 Q356 K455C351-L353 PolarHBondContact O-N 2.98Å; L353-Q355 PolarHBondContact O-N 2.82Å; L353-Q356 HydrophobicContact CB-CB 3.89Å; L353-Q356 PolarHBondContact O-N 3.46Å; L353-K455 PolarHBondContact O-NZ 2.87Å
354P83.1Confident84.3Confident103 Ų10359.8 Ų59.867%0.66933%0.331SS*.THydrogen-bonded Turntrans-57.7-35177.9-25.434000113.2
355Q86.3Confident84.8Confident84 Ų8457.8 Ų57.839%0.39332%0.32SS..THydrogen-bonded Turntrans-85.1-13.8-177.4-65.483.11.100114Q326 L353 R454Q326-Q355 CarbonylContact O-C 3.58Å; L353-Q355 PolarHBondContact O-N 2.82Å; Q355-R454 WeakPolarHBondContact O-CD 3.46Å; Q355-R454 PolarHBondContact O-NH1 2.97Å
356Q90.7Very high85.3Confident12 Ų1258.7 Ų58.76%0.05632%0.32CS..SBendtrans-78.4145.9-174.3164.2169.260.300111.8Q326 S327 A328 C351 L353 K455Q326-Q356 PolarHBondContact O-N 3.36Å; S327-Q356 WeakPolarHBondContact O-CA 3.38Å; A328-Q356 VanDerWaalsContact O-CG 3.25Å; A328-Q356 WeakPolarHBondContact O-CG 3.49Å; A328-Q356 PolarHBondContact O-NE2 2.81Å; C351-Q356 PolarHBondContact O-OE1 3.43Å; L353-Q356 HydrophobicContact CB-CB 3.89Å; L353-Q356 PolarHBondContact O-N 3.46Å; Q356-K455 VanDerWaalsContact O-CE 3.3Å; Q356-K455 WeakPolarHBondContact O-CE 3.42Å; Q356-K455 PolarHBondContact O-NZ 2.73Å
357F91.4Very high85.9Confident1 Ų158.4 Ų58.40%0.00432%0.316CS..  trans-68.6128.2164.9-71-83.6000110.4S327 S329 E360 G362 L364 V452 R454 L458 F531S327-F357 VanDerWaalsContact O-CD2 3.24Å; S327-F357 WeakPolarHBondContact O-CD2 3.26Å; S327-F357 PolarHBondContact O-N 2.74Å; S327-F357 VanDerWaalsContact O-N 3.17Å; S329-F357 WeakPolarHBondContact CA-O 3.48Å; S329-F357 PolarHBondContact OG-O 3.2Å; F357-E360 VanDerWaalsContact CB-O 3.31Å; F357-E360 WeakPolarHBondContact CB-O 3.3Å; F357-G362 VanDerWaalsContact CD2-C 3.43Å; F357-G362 WeakPolarHBondContact CD2-O 3.22Å; F357-L364 HydrophobicContact CE2-CD1 4.49Å; F357-L364 HydrophobicContact CE2-CD2 4.24Å; F357-L364 HydrophobicContact CE2-CG 3.96Å; F357-L364 HydrophobicContact CZ-CD2 4.2Å; F357-L364 HydrophobicContact CZ-CG 4.32Å; F357-V452 HydrophobicContact CZ-CG1 4.08Å; F357-R454 WeakPolarHBondContact CA-O 3.43Å; F357-R454 HydrophobicContact CD1-CB 3.82Å; F357-R454 HydrophobicContact CD1-CG 4.23Å; F357-R454 HydrophobicContact CE1-CB 3.99Å; F357-R454 HydrophobicContact CE1-CG 3.91Å; F357-R454 HydrophobicContact CG-CB 4.28Å; F357-R454 HydrophobicContact CZ-CG 4.13Å; F357-L458 HydrophobicContact CD1-CD1 3.49Å; F357-L458 VanDerWaalsContact CD1-CD1 3.49Å; F357-L458 HydrophobicContact CE1-CD1 3.67Å; F357-F531 HydrophobicContact CE2-CE2 4.39Å; F357-F531 HydrophobicContact CZ-CD2 4.45Å; F357-F531 AromaticContact CZ-CE2 3.93Å; F357-F531 HydrophobicContact CZ-CE2 3.93Å
358D86.9Confident86.4Confident35 Ų3555.4 Ų55.419%0.18731%0.309CS..SBendtrans-87.7-52.6-174.658.5-7.5000113.9L352 R454 K455 G456L352-D358 HydrophobicContact CD2-CB 3.88Å; D358-R454 PolarHBondContact N-O 3.45Å; D358-K455 HydrophobicContact CB-CD 3.81Å; D358-K455 VanDerWaalsContact OD1-CA 3.24Å; D358-K455 WeakPolarHBondContact OD1-CA 3.31Å; D358-K455 VanDerWaalsContact OD2-CA 3.26Å; D358-K455 WeakPolarHBondContact OD2-CA 3.48Å; D358-K455 WeakPolarHBondContact OD2-CB 3.4Å; D358-K455 WeakPolarHBondContact OD2-CD 3.46Å; D358-G456 PolarHBondContact OD1-N 3.39Å; D358-G456 PolarHBondContact OD2-N 2.95Å
359C83.7Confident87.3Confident67 Ų6751.9 Ų51.945%0.45329%0.292SS..SBendtrans-97.2-43.3-176.6-60.20000111.5Y331Y331-C359 WeakPolarHBondContact CE2-O 3.41Å
360E87.7Confident88.2Confident46 Ų4653.1 Ų53.122%0.21530%0.298CS..SBendtrans-84.1137.4-173.7-67.7-52.8130.500112S329 F357 G362 L458 W533S329-E360 WeakPolarHBondContact CB-O 3.18Å; S329-E360 PolarHBondContact OG-O 3.44Å; F357-E360 VanDerWaalsContact CB-O 3.31Å; F357-E360 WeakPolarHBondContact CB-O 3.3Å; E360-G362 PolarHBondContact O-N 3.17Å; E360-L458 HydrophobicContact CB-CD1 3.85Å; E360-L458 HydrophobicContact CG-CB 3.98Å; E360-L458 HydrophobicContact CG-CD1 3.63Å; E360-L458 HydrophobicContact CG-CG 3.88Å; E360-W533 WeakPolarHBondContact OE2-CZ2 3.37Å; E360-W533 PolarHBondContact OE2-NE1 3.45Å
361P92.6Very high89.6Confident4 Ų454.3 Ų54.33%0.02629%0.29CS..  trans-7860.2176.234-37.8000111.7L332 Y343 W533 L534 K535L332-P361 WeakPolarHBondContact CD1-O 3.46Å; L332-P361 HydrophobicContact CD2-CB 3.94Å; L332-P361 HydrophobicContact CG-CB 4.22Å; Y343-P361 HydrophobicContact CD2-CB 3.89Å; Y343-P361 HydrophobicContact CD2-CG 4.47Å; Y343-P361 HydrophobicContact CE2-CB 3.87Å; Y343-P361 HydrophobicContact CE2-CG 4.23Å; P361-W533 HydrophobicContact CG-CD2 4.17Å; P361-W533 HydrophobicContact CG-CZ2 3.89Å; P361-W533 WeakPolarHBondContact O-CA 3.4Å; P361-L534 WeakPolarHBondContact CB-O 3.34Å; P361-L534 WeakPolarHBondContact CG-O 3.49Å; P361-L534 PolarHBondContact O-N 3.41Å; P361-K535 HydrophobicContact CG-CB 3.79Å; P361-K535 HydrophobicContact CG-CG 4.23Å
362G94.5Very high90.8Very high0 Ų050.7 Ų50.70%027%0.269CS..EExtended strand (participates in β ladder)trans-102.9156.9178.500000114.2S329 L332 F357 E360 L532S329-G362 PolarHBondContact N-O 3.2Å; L332-G362 WeakPolarHBondContact CD1-O 3.21Å; F357-G362 VanDerWaalsContact CD2-C 3.43Å; F357-G362 WeakPolarHBondContact CD2-O 3.22Å; E360-G362 PolarHBondContact O-N 3.17Å; G362-L532 CarbonylContact C-O 3.59Å; G362-L532 WeakPolarHBondContact CA-O 3.42Å
363V96.1Very high91.8Very high0 Ų048.6 Ų48.60%026%0.255CS..EExtended strand (participates in β ladder)trans-148.8144.8171.860.80000110.5L323 A328 L332 L334 V341 L532L323-V363 HydrophobicContact CB-CG2 4.09Å; L323-V363 HydrophobicContact CD1-CG1 4.28Å; L323-V363 HydrophobicContact CD2-CG1 4.05Å; L323-V363 HydrophobicContact CD2-CG2 4.25Å; A328-V363 HydrophobicContact CB-CB 4.12Å; A328-V363 HydrophobicContact CB-CG2 3.74Å; L332-V363 HydrophobicContact CD1-CB 3.96Å; L332-V363 HydrophobicContact CD1-CG1 4.06Å; L334-V363 HydrophobicContact CD1-CG2 4.39Å; L334-V363 HydrophobicContact CD2-CG2 4.45Å; V341-V363 HydrophobicContact CG2-CG1 4.27Å; V363-L532 HydrophobicContact CG1-CB 3.87Å; V363-L532 PolarHBondContact N-O 3.38Å; V363-L532 PolarHBondContact O-N 3.37Å
364L97.1Very high92.6Very high4 Ų445.6 Ų45.62%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-102.1157.9177-57.7173.1000111.5D324 S327 F357 A448 V452 R454 V529 P530 F531D324-L364 PolarHBondContact N-O 3.46Å; S327-L364 PolarHBondContact OG-N 2.94Å; F357-L364 HydrophobicContact CE2-CD1 4.49Å; F357-L364 HydrophobicContact CE2-CD2 4.24Å; F357-L364 HydrophobicContact CE2-CG 3.96Å; F357-L364 HydrophobicContact CZ-CD2 4.2Å; F357-L364 HydrophobicContact CZ-CG 4.32Å; L364-A448 HydrophobicContact CD2-CB 4.18Å; L364-V452 HydrophobicContact CD1-CG1 4.32Å; L364-V452 HydrophobicContact CD2-CG1 4.15Å; L364-R454 VanDerWaalsContact CD1-NH2 3.33Å; L364-V529 HydrophobicContact CB-CG2 4.12Å; L364-V529 HydrophobicContact CD1-CG2 4.25Å; L364-V529 HydrophobicContact CD2-CG2 3.74Å; L364-V529 HydrophobicContact CG-CG2 4.24Å; L364-P530 CarbonylContact C-O 3.44Å; L364-P530 WeakPolarHBondContact CA-O 3.31Å; L364-F531 HydrophobicContact CD2-CB 4.4Å; L364-F531 HydrophobicContact CD2-CD2 3.75Å
365G96.9Very high93.2Very high4 Ų440.9 Ų40.94%0.04121%0.209CC..BIsolated β-bridgetrans-74145.6167.500000112.2T322 K367 P530T322-G365 CarbonylContact O-C 3.55Å; T322-G365 VanDerWaalsContact O-CA 3.3Å; T322-G365 WeakPolarHBondContact O-CA 3.35Å; G365-K367 VanDerWaalsContact C-N 3.26Å; G365-K367 PolarHBondContact O-N 2.96Å; G365-P530 PolarHBondContact N-O 2.81Å
366S95Very high93.7Very high59 Ų5937 Ų3741%0.41319%0.19SC..SBendtrans-69.6-21.2-179.565.20000114.2T322T322-S366 PolarHBondContact O-N 2.84Å; T322-S366 PolarHBondContact O-OG 3.42Å; T322-S366 PolarHBondContact OG1-OG 3.38Å
367K94.5Very high94Very high144 Ų14437.8 Ų37.863%0.62619%0.194SC*.SBendtrans-120.4126.5179.8-70.1-178.4-177171.30109.2G365 P530G365-K367 VanDerWaalsContact C-N 3.26Å; G365-K367 PolarHBondContact O-N 2.96Å; K367-P530 WeakPolarHBondContact O-CD 3.37Å
368G94.9Very high94.2Very high15 Ų1537.8 Ų37.816%0.15520%0.195CC..  trans-106.9158.5171.900000113.2R527 L528G368-R527 PolarHBondContact O-NH1 3.33Å; G368-L528 CarbonylContact C-O 3.47Å; G368-L528 VanDerWaalsContact C-O 3.3Å; G368-L528 WeakPolarHBondContact CA-O 3.2Å
369F96.7Very high94.7Very high32 Ų3237.2 Ų37.214%0.1419%0.191CC..BIsolated β-bridgetrans-111140.5-175.4-50.9-80.6000110.4V319 V374 W376 L499 R527 L528 P530V319-F369 HydrophobicContact CG2-CE1 4.21Å; V319-F369 HydrophobicContact CG2-CZ 3.9Å; F369-V374 HydrophobicContact CD1-CB 4.35Å; F369-V374 HydrophobicContact CD1-CG1 3.91Å; F369-V374 HydrophobicContact CD1-CG2 3.81Å; F369-V374 HydrophobicContact CD2-CG2 4.1Å; F369-V374 HydrophobicContact CE1-CB 4.19Å; F369-V374 HydrophobicContact CE1-CG1 3.91Å; F369-V374 HydrophobicContact CE1-CG2 3.95Å; F369-V374 HydrophobicContact CE2-CG2 4.22Å; F369-V374 HydrophobicContact CG-CG2 3.89Å; F369-V374 HydrophobicContact CZ-CG2 4.15Å; F369-W376 HydrophobicContact CD2-CZ3 4.36Å; F369-W376 HydrophobicContact CE2-CE3 4.39Å; F369-W376 HydrophobicContact CE2-CH2 4.2Å; F369-W376 AromaticContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CZ-CZ3 4.33Å; F369-L499 HydrophobicContact CB-CD2 3.85Å; F369-L499 HydrophobicContact CD2-CD2 4.06Å; F369-L499 HydrophobicContact CG-CD2 4.23Å; F369-R527 WeakPolarHBondContact O-CA 3.49Å; F369-L528 PolarHBondContact N-O 2.9Å; F369-L528 PolarHBondContact O-N 3.19Å; F369-P530 HydrophobicContact CE2-CG 4.05Å
370T96.2Very high95.2Very high62 Ų6235.1 Ų35.138%0.3818%0.175SC..SBendtrans-132.25.9176.461.20000112.3Y501 R527T370-Y501 VanDerWaalsContact C-CD1 3.41Å; T370-Y501 VanDerWaalsContact O-CD1 3.22Å; T370-Y501 WeakPolarHBondContact O-CD1 3.33Å; T370-Y501 WeakPolarHBondContact O-CE1 3.46Å; T370-R527 HydrophobicContact CG2-CB 3.62Å; T370-R527 HydrophobicContact CG2-CG 3.91Å
371W95.3Very high95.3Very high188 Ų18835.8 Ų35.871%0.71218%0.178SC*.SBendtrans-170.4159.8-178.366.4-82.9000109.5E502W371-E502 WeakPolarHBondContact CA-OE1 3.49Å; W371-E502 WeakPolarHBondContact CB-OE1 3.26Å
372G93.7Very high94.7Very high17 Ų1740 Ų4018%0.17519%0.194CC..SBendtrans83.8173.4175.200000115.2Y501 E502G372-Y501 PolarHBondContact O-N 2.97Å; G372-E502 WeakPolarHBondContact CA-OE2 3.44Å; G372-E502 PolarHBondContact N-OE1 2.92Å; G372-E502 PolarHBondContact N-OE2 3.25Å
373K96Very high93.1Very high67 Ų6747.1 Ų47.129%0.29123%0.227SC..EExtended strand (participates in β ladder)trans-103.1113172.8-64.8-170.6-180-154.20109.6E315 Y316 K317 L499 D500E315-K373 HydrophobicContact CB-CD 4.03Å; E315-K373 WeakPolarHBondContact O-CB 3.47Å; E315-K373 WeakPolarHBondContact O-CD 3.3Å; E315-K373 IonicContact OE2-NZ 3.42Å; E315-K373 PolarHBondContact OE2-NZ 3.08Å; Y316-K373 HydrophobicContact CD1-CB 3.64Å; Y316-K373 HydrophobicContact CD1-CG 4.47Å; Y316-K373 HydrophobicContact CE1-CB 3.95Å; Y316-K373 HydrophobicContact CE1-CD 4.43Å; Y316-K373 HydrophobicContact CE1-CG 4.31Å; Y316-K373 HydrophobicContact CG-CB 4.3Å; K317-K373 PolarHBondContact N-O 3.14Å; K373-L499 CarbonylContact C-O 3.58Å; K373-L499 VanDerWaalsContact CA-O 3.29Å; K373-L499 WeakPolarHBondContact CA-O 3.45Å; K373-D500 VanDerWaalsContact CE-CG 3.45Å; K373-D500 WeakPolarHBondContact CE-OD2 3.34Å; K373-D500 HydrophobicContact CG-CB 4.2Å; K373-D500 IonicContact NZ-OD2 3.1Å; K373-D500 PolarHBondContact NZ-OD2 3.3Å
374V95.7Very high90.9Very high13 Ų1350.8 Ų50.88%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-125.1150.2-177.3-66.70000111.6K317 V319 F369 W376 A498 L499K317-V374 WeakPolarHBondContact O-CA 3.43Å; V319-V374 HydrophobicContact CG1-CB 4.32Å; V319-V374 HydrophobicContact CG1-CG1 4.03Å; V319-V374 HydrophobicContact CG2-CB 3.99Å; V319-V374 HydrophobicContact CG2-CG1 4.49Å; F369-V374 HydrophobicContact CD1-CB 4.35Å; F369-V374 HydrophobicContact CD1-CG1 3.91Å; F369-V374 HydrophobicContact CD1-CG2 3.81Å; F369-V374 HydrophobicContact CD2-CG2 4.1Å; F369-V374 HydrophobicContact CE1-CB 4.19Å; F369-V374 HydrophobicContact CE1-CG1 3.91Å; F369-V374 HydrophobicContact CE1-CG2 3.95Å; F369-V374 HydrophobicContact CE2-CG2 4.22Å; F369-V374 HydrophobicContact CG-CG2 3.89Å; F369-V374 HydrophobicContact CZ-CG2 4.15Å; V374-W376 HydrophobicContact CG2-CE3 4.49Å; V374-W376 HydrophobicContact CG2-CZ3 3.89Å; V374-A498 WeakPolarHBondContact O-CA 3.49Å; V374-L499 HydrophobicContact CG2-CB 3.93Å; V374-L499 HydrophobicContact CG2-CD2 4.18Å; V374-L499 HydrophobicContact CG2-CG 4.35Å; V374-L499 PolarHBondContact N-O 3.28Å; V374-L499 PolarHBondContact O-N 2.93Å
375Y95.6Very high88.6Confident5 Ų553.8 Ų53.82%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-136.6141.6-179.9176.5-100000111.3R312 K317 T318 V319 E377 G496 I497 A498R312-Y375 VanDerWaalsContact CD-OH 3.25Å; R312-Y375 WeakPolarHBondContact CD-OH 3.1Å; R312-Y375 HydrophobicContact CG-CD2 4.33Å; R312-Y375 HydrophobicContact CG-CE2 4.14Å; R312-Y375 PolarHBondContact NE-OH 2.86Å; K317-Y375 PolarHBondContact O-N 3.18Å; T318-Y375 CarbonylContact C-O 3.5Å; T318-Y375 WeakPolarHBondContact CA-O 3.48Å; V319-Y375 WeakPolarHBondContact CG2-O 2.99Å; V319-Y375 PolarHBondContact N-O 3.32Å; Y375-E377 HydrophobicContact CE1-CG 3.59Å; Y375-E377 WeakPolarHBondContact CE1-OE1 3.38Å; Y375-E377 VanDerWaalsContact OH-CG 3.23Å; Y375-E377 WeakPolarHBondContact OH-CG 3.36Å; Y375-E377 PolarHBondContact OH-OE1 3.45Å; Y375-E377 VanDerWaalsContact OH-OE1 3.05Å; Y375-G496 VanDerWaalsContact CE2-CA 3.44Å; Y375-G496 VanDerWaalsContact OH-CA 3.27Å; Y375-G496 WeakPolarHBondContact OH-CA 3.5Å; Y375-I497 VanDerWaalsContact CA-O 3.31Å; Y375-I497 WeakPolarHBondContact CA-O 3.47Å; Y375-I497 VanDerWaalsContact CD2-O 3.32Å; Y375-I497 WeakPolarHBondContact CD2-O 3.36Å; Y375-A498 HydrophobicContact CD2-CB 4Å
376W96.1Very high85.8Confident1 Ų157 Ų570%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-150.1166.3168.46592.2000109.9V319 V321 F369 V374 V447 I497 L499 P530V319-W376 HydrophobicContact CG2-CB 4.49Å; V319-W376 HydrophobicContact CG2-CE3 4.08Å; V321-W376 HydrophobicContact CB-CG 4.43Å; V321-W376 HydrophobicContact CG2-CB 3.81Å; V321-W376 HydrophobicContact CG2-CD2 3.77Å; V321-W376 HydrophobicContact CG2-CE3 4.15Å; V321-W376 HydrophobicContact CG2-CG 3.59Å; F369-W376 HydrophobicContact CD2-CZ3 4.36Å; F369-W376 HydrophobicContact CE2-CE3 4.39Å; F369-W376 HydrophobicContact CE2-CH2 4.2Å; F369-W376 AromaticContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CE2-CZ3 3.78Å; F369-W376 HydrophobicContact CZ-CZ3 4.33Å; V374-W376 HydrophobicContact CG2-CE3 4.49Å; V374-W376 HydrophobicContact CG2-CZ3 3.89Å; W376-V447 HydrophobicContact CH2-CG1 3.47Å; W376-V447 VanDerWaalsContact CH2-CG1 3.47Å; W376-V447 HydrophobicContact CZ2-CG1 3.65Å; W376-I497 HydrophobicContact CD2-CB 4.34Å; W376-I497 HydrophobicContact CH2-CG2 3.92Å; W376-I497 HydrophobicContact CZ2-CB 4Å; W376-I497 HydrophobicContact CZ2-CD1 4.33Å; W376-I497 HydrophobicContact CZ2-CG2 3.53Å; W376-I497 PolarHBondContact N-O 2.85Å; W376-I497 VanDerWaalsContact N-O 3.11Å; W376-I497 PolarHBondContact O-N 3.15Å; W376-L499 HydrophobicContact CH2-CB 4.49Å; W376-L499 HydrophobicContact CZ3-CB 4.4Å; W376-P530 HydrophobicContact CH2-CG 4.09Å; W376-P530 HydrophobicContact CZ2-CB 3.88Å; W376-P530 HydrophobicContact CZ2-CG 3.75Å
377E96.7Very high83.2Confident29 Ų2962 Ų6214%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-117147.1-177.7-71.7176.2-16600111.2Y375 R494 V495 A511 R544Y375-E377 HydrophobicContact CE1-CG 3.59Å; Y375-E377 WeakPolarHBondContact CE1-OE1 3.38Å; Y375-E377 VanDerWaalsContact OH-CG 3.23Å; Y375-E377 WeakPolarHBondContact OH-CG 3.36Å; Y375-E377 PolarHBondContact OH-OE1 3.45Å; Y375-E377 VanDerWaalsContact OH-OE1 3.05Å; E377-R494 HydrophobicContact CB-CG 4.19Å; E377-R494 WeakPolarHBondContact OE2-CD 3.27Å; E377-R494 IonicContact OE2-NE 2.77Å; E377-R494 IonicContact OE2-NH1 3.99Å; E377-V495 CarbonylContact C-O 3.58Å; E377-V495 WeakPolarHBondContact CA-O 3.29Å; E377-A511 HydrophobicContact CG-CB 4.02Å; E377-R544 HydrophobicContact CB-CB 3.83Å; E377-R544 PolarHBondContact N-O 3.48Å; E377-R544 PolarHBondContact O-N 3.06Å
378V97.4Very high80.6Confident2 Ų260.7 Ų60.71%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-125.1121.4172.2-169.50000108.3V445 R494 V495 I497 L532 L541 L542 L543V378-V445 HydrophobicContact CB-CB 4.45Å; V378-V445 HydrophobicContact CB-CG1 4.08Å; V378-V445 HydrophobicContact CG1-CG1 3.75Å; V378-V445 HydrophobicContact CG2-CB 4.39Å; V378-V445 HydrophobicContact CG2-CG1 4.43Å; V378-R494 CarbonylContact O-C 3.59Å; V378-R494 WeakPolarHBondContact O-CA 3.27Å; V378-V495 PolarHBondContact N-O 2.87Å; V378-V495 PolarHBondContact O-N 3.48Å; V378-I497 HydrophobicContact CG2-CD1 3.68Å; V378-L532 HydrophobicContact CG1-CD2 3.93Å; V378-L532 HydrophobicContact CG2-CD2 4Å; V378-L541 HydrophobicContact CG1-CB 4.03Å; V378-L541 HydrophobicContact CG1-CD2 4.18Å; V378-L542 CarbonylContact C-O 3.58Å; V378-L542 WeakPolarHBondContact CA-O 3.18Å; V378-L543 HydrophobicContact CG2-CD2 4.05Å
379E96.6Very high78.3Confident22 Ų2267.1 Ų67.110%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-101.2134.6177.1-174.8167.9-127.600110.2R493 R494 L541 L542 R544E379-R493 CarbonylContact C-O 3.46Å; E379-R493 WeakPolarHBondContact CA-O 3.37Å; E379-R494 HydrophobicContact CB-CG 4.08Å; E379-R494 IonicContact OE1-CZ 3.14Å; E379-R494 IonicContact OE1-NE 3.65Å; E379-R494 PolarHBondContact OE1-NE 2.99Å; E379-R494 IonicContact OE1-NH2 3.64Å; E379-R494 PolarHBondContact OE1-NH2 3.38Å; E379-R494 IonicContact OE2-NH2 2.68Å; E379-L541 CarbonylContact O-C 3.5Å; E379-L541 VanDerWaalsContact O-CA 3.31Å; E379-L541 WeakPolarHBondContact O-CA 3.33Å; E379-L542 HydrophobicContact CB-CB 4.38Å; E379-L542 PolarHBondContact N-O 2.86Å; E379-L542 PolarHBondContact O-N 3.33Å; E379-R544 HydrophobicContact CB-CG 4.2Å; E379-R544 IonicContact OE2-CZ 3.48Å; E379-R544 IonicContact OE2-NE 3.56Å; E379-R544 PolarHBondContact OE2-NE 3.36Å; E379-R544 IonicContact OE2-NH2 3.32Å; E379-R544 PolarHBondContact OE2-NH2 2.88Å
380L93.7Very high75.7Confident24 Ų2473.9 Ų73.913%0.12637%0.372CS..EExtended strand (participates in β ladder)trans-98.4112.7172.8176.465.2000108.1R493 W536 A539 L541L380-R493 PolarHBondContact N-O 3.49Å; L380-W536 HydrophobicContact CD2-CE3 4.45Å; L380-W536 HydrophobicContact CD2-CH2 4.42Å; L380-W536 HydrophobicContact CD2-CZ3 3.86Å; L380-A539 HydrophobicContact CD1-CB 4.09Å; L380-L541 HydrophobicContact CB-CD2 4.15Å; L380-L541 HydrophobicContact CD1-CD2 3.7Å
381E90.7Very high72.9Confident59 Ų5979 Ų7928%0.27639%0.391SS..EExtended strand (participates in β ladder)trans-105.6135.8169.4-76.6176.3-168.300108.6A539 R540 L542 R544E381-A539 CarbonylContact O-C 3.58Å; E381-A539 WeakPolarHBondContact O-CA 3.37Å; E381-R540 HydrophobicContact CB-CG 3.61Å; E381-R540 PolarHBondContact N-O 3.43Å; E381-R540 PolarHBondContact O-N 3.11Å; E381-R540 VanDerWaalsContact OE2-CD 3.31Å; E381-R540 WeakPolarHBondContact OE2-CD 3.47Å; E381-R540 IonicContact OE2-CZ 2.7Å; E381-R540 IonicContact OE2-NE 2.67Å; E381-R540 IonicContact OE2-NH1 2.71Å; E381-R540 PolarHBondContact OE2-NH1 3.17Å; E381-L542 HydrophobicContact CB-CD1 3.83Å; E381-L542 HydrophobicContact CG-CD1 3.55Å; E381-R544 IonicContact OE1-NH2 3.8Å
382R80.3Confident70.1Confident94 Ų9473.3 Ų73.336%0.35539%0.391SS..EExtended strand (participates in β ladder)trans-137.7136.7169.4171.1-157.8-158.2-1675108.3G384 W385 E441 A539R382-G384 PolarHBondContact O-N 2.95Å; R382-W385 VanDerWaalsContact CB-CD1 3.45Å; R382-W385 VanDerWaalsContact CB-NE1 3.3Å; R382-W385 VanDerWaalsContact CD-CD1 3.48Å; R382-E441 IonicContact NH2-OE2 3.95Å; R382-E441 PolarHBondContact NH2-OE2 2.92Å; R382-A539 HydrophobicContact CB-CB 4.16Å; R382-A539 HydrophobicContact CG-CB 4.49Å
383E60.5Low67.5Low149 Ų14981.8 Ų81.870%0.69643%0.426SS*.THydrogen-bonded Turntrans-68.3116.5176.4-71.2172.6-173.300108.7R540E383-R540 IonicContact OE1-NH2 2.87Å; E383-R540 PolarHBondContact OE1-NH2 3.23Å
384G49.3Very low64.8Low76 Ų7687.5 Ų87.578%0.78445%0.454SS*.THydrogen-bonded Turntrans115.50.8177.500000117R382 S386R382-G384 PolarHBondContact O-N 2.95Å; G384-S386 VanDerWaalsContact C-N 3.33Å; G384-S386 PolarHBondContact O-N 2.96Å; G384-S386 VanDerWaalsContact O-N 3.12Å
385W48Very low62Low68 Ų6895.9 Ų95.926%0.25849%0.492SS..  trans-79.586.3164.1-63.572.4000108.2R382 W536R382-W385 VanDerWaalsContact CB-CD1 3.45Å; R382-W385 VanDerWaalsContact CB-NE1 3.3Å; R382-W385 VanDerWaalsContact CD-CD1 3.48Å; W385-W536 HydrophobicContact CZ2-CH2 4.34Å; W385-W536 HydrophobicContact CZ2-CZ2 4.48Å
386S38.6Very low59.3Low71 Ų71104.8 Ų104.850%0.49753%0.534SS..  trans-66.4156.7161.353.60000109.3G384 D388G384-S386 VanDerWaalsContact C-N 3.33Å; G384-S386 PolarHBondContact O-N 2.96Å; G384-S386 VanDerWaalsContact O-N 3.12Å; S386-D388 VanDerWaalsContact CB-OD2 3.23Å; S386-D388 WeakPolarHBondContact CB-OD2 3.48Å; S386-D388 PolarHBondContact O-N 3.04Å; S386-D388 PolarHBondContact OG-OD2 3.2Å
387E40.4Very low56.6Low165 Ų165114.4 Ų114.477%0.77158%0.579SS**G310 helixtrans-7015.7-176.1-65.3169152.200113E389E387-E389 PolarHBondContact O-N 2.83Å
388D40.8Very low53.7Low116 Ų116116.2 Ų116.262%0.6261%0.605SS**G310 helixtrans-90.31.2-165.3-51.4-37.5000114.3S386S386-D388 VanDerWaalsContact CB-OD2 3.23Å; S386-D388 WeakPolarHBondContact CB-OD2 3.48Å; S386-D388 PolarHBondContact O-N 3.04Å; S386-D388 PolarHBondContact OG-OD2 3.2Å
389E45.9Very low50.9Low149 Ų149125.2 Ų125.270%0.69665%0.647SS**G310 helixtrans-90.6-4.7176.4-71.7-174.5177.300113.6E387E387-E389 PolarHBondContact O-N 2.83Å
390E43.4Very low48.2Very low174 Ų174132.5 Ų132.581%0.81368%0.681SS**SBendtrans-93.3-7.5176.6-76.1-17116900114.3
391E36.9Very low45.5Very low170 Ų170140.6 Ų140.679%0.79472%0.718SS**SBendtrans-107.78.5-178.4-65.8-170.9167.600114.1
392G35.7Very low43.1Very low68 Ų68146.6 Ų146.670%0.70175%0.746SS**THydrogen-bonded Turntrans-89.75.6-171.100000118.1
393E39.9Very low41.2Very low196 Ų196150.7 Ų150.792%0.91677%0.769SS**THydrogen-bonded Turntrans-118.29.3-176.4-69.5-172.6173.400114.6
394E39.8Very low40Very low186 Ų186151.9 Ų151.987%0.86978%0.781SS**  trans-106.313.1-174.9-66.5-164.3170.600116.3
395E36Very low39.4Very low189 Ų189157.1 Ų157.188%0.88378%0.784SS**  trans-117.964.7-177.7-64.6-165.1171.400114.6
396E39.7Very low38.9Very low192 Ų192162.7 Ų162.790%0.89781%0.814SS**SBendtrans-156.645.3157.2-83.5-152.616400113.2
397E37.5Very low38.8Very low204 Ų204166.4 Ų166.495%0.95383%0.833SS**  trans-142.178.8163.9-70.8-163.8176.900111.3
398G36Very low38.6Very low66 Ų66161.7 Ų161.768%0.6883%0.829SS**  trans-125138.7163.700000109.6
399E40.3Very low38.4Very low191 Ų191168.1 Ų168.189%0.89385%0.846SS**SBendtrans83.7111.3171.8-53.8-178-178.400113.5
400E39.9Very low37.9Very low176 Ų176164.6 Ų164.682%0.82285%0.85SS**  cis-152.1136.515.9-73.2172.2156.100110.1
401E36.1Very low37.5Very low193 Ų193163.7 Ų163.790%0.90285%0.851SS**  trans-83.6115.7162.8-66.3-175.7153.700108.4
402E40.4Very low37.4Very low185 Ų185159 Ų15986%0.86485%0.847SS**  trans-122.1127.7154.7-75.9-150162.600110.5
403E39.6Very low37.6Very low180 Ų180164.4 Ų164.484%0.84185%0.848SS**  trans-72.6126.9-171.9-61.9175139.400111.1E405E403-E405 PolarHBondContact O-N 2.81Å
404D36.3Very low37.6Very low175 Ų175162.9 Ų162.994%0.93684%0.841SS**  trans-69.593.3168.4-75.6-47.7000109.8
405E36.1Very low37.4Very low185 Ų185160.5 Ų160.586%0.86483%0.834SS**  trans-94.3121.9158.4-83.2-160.6159.900111.2E403E403-E405 PolarHBondContact O-N 2.81Å
406E37.2Very low37.6Very low186 Ų186162.3 Ų162.387%0.86983%0.833SS**  trans-52.7156168.6-98.6-177.7153.700112.8
407V36.9Very low37.4Very low148 Ų148159.6 Ų159.690%0.89782%0.82SS**  trans103.4109.6157.9-1640000116.2
408G35.3Very low37.3Very low67 Ų67155 Ų15569%0.69181%0.806SS**  trans134.1109.2141.600000116.1G410G408-G410 PolarHBondContact O-N 3.49Å
409Y37.2Very low37.5Very low251 Ų251158.4 Ų158.498%0.98481%0.809SS**  trans-37.5124.1166.7-73-97.2000114.7
410G35.6Very low37.6Very low75 Ų75157.9 Ų157.977%0.77381%0.806SS**  trans-169.5109168.300000111.8G408G408-G410 PolarHBondContact O-N 3.49Å
411D34.7Very low37.5Very low155 Ų155158.6 Ų158.683%0.82981%0.81SS**  trans-66.7123.5167.6160.223000109.6
412G36.2Very low37.7Very low70 Ų70157.1 Ų157.172%0.72281%0.808SS**  trans-169.2120.517800000111.3
413Y38.7Very low37.4Very low182 Ų182156.6 Ų156.671%0.71481%0.805SS**  trans-84.4128.2-179.4-81.7-107.6000111.9K273K273-Y413 PolarHBondContact NZ-OH 3.43Å
414E39.9Very low37.5Very low164 Ų164153.3 Ų153.377%0.76680%0.802SS**  trans-148103.4156.7-66.7-174.1164.600106.2
415D35.6Very low37.5Very low137 Ų137152.8 Ų152.873%0.73380%0.799SS**  50.786.480.6-153.533.1000114.9
416W41.1Very low37.7Very low226 Ų226147 Ų14786%0.85679%0.789SS**  trans-141107.1157.6-63.7101.6000109.2
417E34.7Very low37.8Very low136 Ų136147 Ų14764%0.63679%0.789SS**  trans-124.2128.8156.4-126.2168.3-141.800101K274K274-E417 WeakPolarHBondContact CE-OE1 3.41Å; K274-E417 IonicContact NZ-OE1 2.88Å; K274-E417 PolarHBondContact NZ-OE1 3.39Å; K274-E417 IonicContact NZ-OE2 3.35Å; K274-E417 PolarHBondContact NZ-OE2 3.43Å
418T34.9Very low37.9Very low107 Ų107149.1 Ų149.166%0.65679%0.789SS**  -169.3171.453.4330000107.9
419D40.7Very low38.1Very low138 Ų138153.9 Ų153.974%0.73879%0.794SS**  trans155.486133.3-72.8-0.9000106.3
420E43.2Very low37.9Very low180 Ų180151.1 Ų151.184%0.84179%0.79SS**  86.6105.790.4-78.7-161.3179.600110.9
421E37.2Very low38Very low190 Ų190155 Ų15589%0.88879%0.787SS**  trans-74116.8172.6-64.7170.3162.100108
422D39.7Very low37.9Very low163 Ų163157 Ų15787%0.87279%0.792SS**  trans-95.792.7174-137.8-12.2000108.7S424D422-S424 PolarHBondContact O-N 2.72Å
423E35.9Very low37.9Very low173 Ų173161.7 Ų161.781%0.80880%0.795SS**  trans-82.392.5166.3-75-164.7166.100109.2L425E423-L425 PolarHBondContact O-N 3.04Å
424S40.2Very low37.7Very low111 Ų111161.7 Ų161.778%0.77680%0.802SS**  trans-8898168.7166.50000110.4D422 G426D422-S424 PolarHBondContact O-N 2.72Å; S424-G426 PolarHBondContact O-N 2.76Å
425L37.6Very low37.3Very low164 Ų164163.4 Ų163.486%0.85981%0.81SS**  trans-73.8104.7163.2-69.7169.8000109.2E423E423-L425 PolarHBondContact O-N 3.04Å
426G39.8Very low37.1Very low65 Ų65165 Ų16567%0.6781%0.813SS**  trans-95.8123.3168.100000110.2S424 E428S424-G426 PolarHBondContact O-N 2.76Å; G426-E428 PolarHBondContact O-N 3.17Å
427E38.8Very low36.8Very low184 Ų184163.5 Ų163.586%0.8682%0.815SS**  trans-65.4121.9177.8-63.9172.6153.500110.2E429E427-E429 PolarHBondContact O-N 2.69Å
428E39.1Very low37.1Very low193 Ų193165.1 Ų165.190%0.90282%0.823SS**  trans-79.7103.9170-69.2179.1174.600108.3G426 E430G426-E428 PolarHBondContact O-N 3.17Å; E428-E430 PolarHBondContact O-N 3.35Å
429E39.2Very low37.8Very low168 Ų168164.6 Ų164.679%0.78582%0.819SS**  trans-73.9112.9165.5-71.3-173.4154.900108.5E427 E431E427-E429 PolarHBondContact O-N 2.69Å; E429-E431 PolarHBondContact O-N 3.05Å; E429-E431 VanDerWaalsContact O-N 3.11Å
430E32.9Very low39.1Very low192 Ų192163.3 Ų163.390%0.89781%0.809SS**  trans-70.395171.1-68.6179.4163.200109.3E428E428-E430 PolarHBondContact O-N 3.35Å
431E38.5Very low41.2Very low156 Ų156158 Ų15873%0.72978%0.784SS**  trans-88.1112.5163-70.2-166.1158.900109.3E429 E433E429-E431 PolarHBondContact O-N 3.05Å; E429-E431 VanDerWaalsContact O-N 3.11Å; E431-E433 PolarHBondContact O-N 3.22Å
432E32.6Very low43.8Very low198 Ų198149.2 Ų149.293%0.92574%0.744SS**  trans-67.792.9170.2-68.1-178.7159.400109.2
433E36.1Very low46.5Very low169 Ų169141.5 Ų141.579%0.7970%0.702SS**  trans-78.4119.7171.4-71.7-172.5162.800110.7E431 E435E431-E433 PolarHBondContact O-N 3.22Å; E433-E435 PolarHBondContact O-N 2.82Å
434E34.1Very low49.3Very low181 Ų181133.5 Ų133.585%0.84667%0.665SS**  trans-60.5118.7169.6-63.9-178.4156.700109.2E436E434-E436 VanDerWaalsContact C-N 3.3Å; E434-E436 PolarHBondContact O-N 2.79Å
435E30.9Very low52Low200 Ų200128.2 Ų128.294%0.93563%0.628SS**  trans-61.281177.7-68.3179.5162.700111.7E433E433-E435 PolarHBondContact O-N 2.82Å
436E31.5Very low54.9Low171 Ų171120.4 Ų120.480%0.79959%0.587SS**  trans-73121.6153.8-69.6-166.3163.600107.1E434 E438E434-E436 VanDerWaalsContact C-N 3.3Å; E434-E436 PolarHBondContact O-N 2.79Å; E436-E438 VanDerWaalsContact C-N 3.28Å; E436-E438 PolarHBondContact O-N 3.5Å
437E35Very low57.6Low194 Ų194117.3 Ų117.391%0.90756%0.555SS**  trans-56.390.7174.7-78-177.2153.500109.9V439E437-V439 PolarHBondContact O-N 3.07Å; E437-V439 VanDerWaalsContact O-N 3.07Å
438E40.5Very low60.4Low171 Ų171108.6 Ų108.680%0.79951%0.514SS*.  trans-53118.7174.1-84.5-165.1145.800108.4E436 Q440E436-E438 VanDerWaalsContact C-N 3.28Å; E436-E438 PolarHBondContact O-N 3.5Å; E438-Q440 VanDerWaalsContact C-N 3.25Å; E438-Q440 PolarHBondContact O-N 2.87Å
439V50.5Low63.1Low95 Ų95101.8 Ų101.858%0.57648%0.482SS*.  trans-65.289.6174.4175.40000107.7E437 E441 K535E437-V439 PolarHBondContact O-N 3.07Å; E437-V439 VanDerWaalsContact O-N 3.07Å; V439-E441 PolarHBondContact O-N 3.34Å; V439-K535 HydrophobicContact CG1-CD 3.98Å; V439-K535 HydrophobicContact CG1-CG 4.39Å
440Q67Low65.7Low111 Ų11196.4 Ų96.452%0.51946%0.459SS..  trans-62.3105.9-177.6-80.6-176.7-6.300110.7E438 S442E438-Q440 VanDerWaalsContact C-N 3.25Å; E438-Q440 PolarHBondContact O-N 2.87Å; Q440-S442 PolarHBondContact O-N 3.41Å; Q440-S442 PolarHBondContact O-OG 2.98Å
441E88.2Confident68.5Low69 Ų6990.1 Ų90.132%0.32244%0.436SS..  trans-54113.2173.7-66.6-167.5159.900109.5R382 V439 S472 P473 K535 W536R382-E441 IonicContact NH2-OE2 3.95Å; R382-E441 PolarHBondContact NH2-OE2 2.92Å; V439-E441 PolarHBondContact O-N 3.34Å; E441-S472 WeakPolarHBondContact O-CB 3.46Å; E441-P473 HydrophobicContact CB-CG 4.46Å; E441-P473 WeakPolarHBondContact O-CD 2.88Å; E441-K535 WeakPolarHBondContact CA-O 3.36Å; E441-W536 HydrophobicContact CB-CD2 4.43Å; E441-W536 HydrophobicContact CB-CG 4.16Å; E441-W536 PolarHBondContact OE2-NE1 3.37Å
442S92.7Very high71.1Confident6 Ų683.3 Ų83.34%0.04241%0.405CS..EExtended strand (participates in β ladder)trans-157.6162.4-17853.90000112.3Q440 L471 W533 K535Q440-S442 PolarHBondContact O-N 3.41Å; Q440-S442 PolarHBondContact O-OG 2.98Å; S442-L471 VanDerWaalsContact CA-O 3.26Å; S442-L471 WeakPolarHBondContact CA-O 3.46Å; S442-L471 WeakPolarHBondContact CB-O 3.48Å; S442-W533 VanDerWaalsContact O-CZ3 3.28Å; S442-W533 WeakPolarHBondContact O-CZ3 3.1Å; S442-W533 WeakPolarHBondContact OG-CZ3 3.28Å; S442-K535 PolarHBondContact N-O 3.46Å; S442-K535 CarbonylContact O-C 3.09Å; S442-K535 PolarHBondContact O-N 3.31Å
443C94.7Very high73.8Confident0 Ų080 Ų800%039%0.387CS..EExtended strand (participates in β ladder)trans-131.8158.4166.873.10000110.1R470 L471 W533 L534 L541C443-R470 CarbonylContact O-C 3.58Å; C443-R470 WeakPolarHBondContact O-CA 3.37Å; C443-L471 PolarHBondContact N-O 3.3Å; C443-L471 PolarHBondContact O-N 2.85Å; C443-W533 CarbonylContact C-O 3.51Å; C443-W533 VanDerWaalsContact CA-O 3.22Å; C443-W533 WeakPolarHBondContact CA-O 3.36Å; C443-W533 WeakPolarHBondContact CB-O 3.36Å; C443-L534 HydrophobicContact CB-CD1 3.51Å; C443-L541 HydrophobicContact CB-CD1 4.17Å; C443-L541 HydrophobicContact CB-CD2 4.32Å
444M95.7Very high76.4Confident5 Ų574.3 Ų74.33%0.02536%0.359CS..EExtended strand (participates in β ladder)trans-127.9141.5172-52.7174.150.500111.4L460 A468 L469 R470 N479 F531 L532 W533M444-L460 HydrophobicContact CE-CB 3.94Å; M444-L460 HydrophobicContact CE-CD1 4.15Å; M444-L460 HydrophobicContact SD-CB 4.27Å; M444-L460 HydrophobicContact SD-CD1 3.48Å; M444-L460 WeakPolarHBondContact SD-CD1 3.24Å; M444-A468 HydrophobicContact CB-CB 4.36Å; M444-A468 HydrophobicContact CE-CB 3.61Å; M444-L469 WeakPolarHBondContact CA-O 3.3Å; M444-L469 WeakPolarHBondContact CB-O 2.9Å; M444-R470 HydrophobicContact CG-CB 4.01Å; M444-R470 HydrophobicContact CG-CG 4.15Å; M444-N479 HydrophobicContact CE-CB 4.41Å; M444-N479 WeakPolarHBondContact CE-ND2 3.31Å; M444-F531 HydrophobicContact CE-CE1 4.42Å; M444-L532 WeakPolarHBondContact O-CA 3.21Å; M444-W533 HydrophobicContact CB-CB 4.02Å; M444-W533 HydrophobicContact CG-CB 4.39Å; M444-W533 HydrophobicContact CG-CE3 4.19Å; M444-W533 PolarHBondContact N-O 3.44Å; M444-W533 PolarHBondContact O-N 3.13Å
445V97.4Very high79.1Confident1 Ų169 Ų691%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-129.6133.9177.9-57.70000109.2V378 A468 L469 V495 I497 F508 L532 L541V378-V445 HydrophobicContact CB-CB 4.45Å; V378-V445 HydrophobicContact CB-CG1 4.08Å; V378-V445 HydrophobicContact CG1-CG1 3.75Å; V378-V445 HydrophobicContact CG2-CB 4.39Å; V378-V445 HydrophobicContact CG2-CG1 4.43Å; V445-A468 VanDerWaalsContact O-CA 3.3Å; V445-A468 WeakPolarHBondContact O-CA 3.4Å; V445-A468 WeakPolarHBondContact O-CB 3.39Å; V445-L469 PolarHBondContact N-O 3.34Å; V445-L469 PolarHBondContact O-N 3.31Å; V445-V495 HydrophobicContact CG2-CB 4.02Å; V445-V495 HydrophobicContact CG2-CG1 3.88Å; V445-V495 HydrophobicContact CG2-CG2 4.23Å; V445-I497 HydrophobicContact CB-CD1 4.17Å; V445-I497 HydrophobicContact CG2-CD1 4.48Å; V445-F508 WeakPolarHBondContact O-CE1 2.94Å; V445-L532 HydrophobicContact CB-CD2 4.27Å; V445-L532 HydrophobicContact CG1-CD2 3.99Å; V445-L541 HydrophobicContact CG1-CD1 4.27Å; V445-L541 HydrophobicContact CG1-CD2 4.26Å
446G97.6Very high81.6Confident0 Ų060.8 Ų60.80%030%0.302CS..EExtended strand (participates in β ladder)trans170.1-145.5179.600000114.4W467 F531G446-W467 WeakPolarHBondContact CA-O 3.42Å; G446-F531 PolarHBondContact N-O 3.11Å; G446-F531 PolarHBondContact O-N 3.5Å
447V97.8Very high83.9Confident0 Ų059.3 Ų59.30%030%0.3CS..EExtended strand (participates in β ladder)trans-130.4148.9177.3-61.40000110.9W376 W467 I497 V506 L528 V529W376-V447 HydrophobicContact CH2-CG1 3.47Å; W376-V447 VanDerWaalsContact CH2-CG1 3.47Å; W376-V447 HydrophobicContact CZ2-CG1 3.65Å; V447-W467 HydrophobicContact CG2-CB 3.99Å; V447-W467 HydrophobicContact CG2-CE3 4.09Å; V447-W467 PolarHBondContact N-O 3.21Å; V447-W467 PolarHBondContact O-N 3.07Å; V447-I497 HydrophobicContact CG1-CG2 4.37Å; V447-V506 HydrophobicContact CG2-CB 4.36Å; V447-V506 HydrophobicContact CG2-CG1 4.03Å; V447-V506 HydrophobicContact CG2-CG2 3.47Å; V447-V506 VanDerWaalsContact CG2-CG2 3.47Å; V447-L528 HydrophobicContact CG2-CD1 4.24Å; V447-V529 CarbonylContact C-O 3.54Å; V447-V529 VanDerWaalsContact CA-O 3.27Å; V447-V529 WeakPolarHBondContact CA-O 3.35Å
448A96.7Very high86.1Confident0 Ų050.9 Ų50.90%026%0.261CS..EExtended strand (participates in β ladder)trans-130.4159.3172.700000110.5L364 V452 G465 V466 L528 V529 F531L364-A448 HydrophobicContact CD2-CB 4.18Å; A448-V452 HydrophobicContact CB-CB 4.3Å; A448-V452 HydrophobicContact CB-CG1 4.25Å; A448-G465 CarbonylContact C-O 3.52Å; A448-G465 WeakPolarHBondContact CA-O 3.31Å; A448-V466 HydrophobicContact CB-CG2 4.1Å; A448-L528 CarbonylContact O-C 3.44Å; A448-L528 VanDerWaalsContact O-CA 3.31Å; A448-L528 WeakPolarHBondContact O-CA 3.37Å; A448-V529 PolarHBondContact N-O 2.87Å; A448-V529 WeakPolarHBondContact O-CG2 3.45Å; A448-V529 PolarHBondContact O-N 2.67Å; A448-F531 HydrophobicContact CB-CB 3.78Å; A448-F531 HydrophobicContact CB-CD2 4.26Å; A448-F531 HydrophobicContact CB-CG 4.03Å
449K96Very high88.2Confident50 Ų5044.9 Ų44.922%0.21724%0.238CC..EExtended strand (participates in β ladder)trans-61.3141.2163.5-65.6174.6-170.1155.70108.8S451 V452 G465 W467 L528K449-S451 PolarHBondContact O-N 3.42Å; K449-S451 VanDerWaalsContact O-N 3.15Å; K449-V452 VanDerWaalsContact O-CB 3.3Å; K449-V452 WeakPolarHBondContact O-CB 3.42Å; K449-V452 WeakPolarHBondContact O-CG1 3.3Å; K449-V452 PolarHBondContact O-N 2.9Å; K449-G465 PolarHBondContact N-O 3.15Å; K449-W467 HydrophobicContact CG-CH2 4.18Å; K449-W467 HydrophobicContact CG-CZ3 4.01Å; K449-L528 HydrophobicContact CG-CD2 4.04Å
450D93.6Very high90Very high56 Ų5641.4 Ų41.430%0.29922%0.216SC..THydrogen-bonded Turntrans-57.5-29.5173.165.9-12.8000112.6V452 R454 R527 V529D450-V452 VanDerWaalsContact C-N 3.33Å; D450-V452 PolarHBondContact O-N 2.94Å; D450-R454 PolarHBondContact O-NH2 3.48Å; D450-R527 HydrophobicContact CB-CB 4.41Å; D450-R527 HydrophobicContact CB-CG 4.45Å; D450-R527 PolarHBondContact N-O 3.42Å; D450-R527 WeakPolarHBondContact OD2-CB 3.21Å; D450-V529 HydrophobicContact CB-CG1 4.15Å
451S91.9Very high91.2Very high59 Ų5942.1 Ų42.141%0.41321%0.214SC..THydrogen-bonded Turntrans-88.317.417673.90000114.7K449 R526K449-S451 PolarHBondContact O-N 3.42Å; K449-S451 VanDerWaalsContact O-N 3.15Å; S451-R526 PolarHBondContact OG-NH1 2.77Å; S451-R526 VanDerWaalsContact OG-NH1 3.07Å
452V92Very high91.5Very high13 Ų1339.8 Ų39.88%0.07921%0.205CC..  trans-56.6143.3176.667.50000110.7F357 L364 A448 K449 D450 R454 V466F357-V452 HydrophobicContact CZ-CG1 4.08Å; L364-V452 HydrophobicContact CD1-CG1 4.32Å; L364-V452 HydrophobicContact CD2-CG1 4.15Å; A448-V452 HydrophobicContact CB-CB 4.3Å; A448-V452 HydrophobicContact CB-CG1 4.25Å; K449-V452 VanDerWaalsContact O-CB 3.3Å; K449-V452 WeakPolarHBondContact O-CB 3.42Å; K449-V452 WeakPolarHBondContact O-CG1 3.3Å; K449-V452 PolarHBondContact O-N 2.9Å; D450-V452 VanDerWaalsContact C-N 3.33Å; D450-V452 PolarHBondContact O-N 2.94Å; V452-R454 HydrophobicContact CG1-CG 4.47Å; V452-R454 VanDerWaalsContact O-CG 3.27Å; V452-R454 WeakPolarHBondContact O-CG 3.4Å; V452-V466 HydrophobicContact CG2-CG2 3.69Å
453K91.1Very high91.4Very high129 Ų12945.3 Ų45.356%0.56123%0.23SC*.  trans-62.1137.3174.2-170.4-171.2-179.1-151.40108.7K455 D457 L458K453-K455 WeakPolarHBondContact CE-O 3.02Å; K453-D457 PolarHBondContact NZ-O 3.04Å; K453-L458 HydrophobicContact CB-CD2 3.93Å; K453-L458 HydrophobicContact CD-CD2 3.91Å; K453-L458 HydrophobicContact CG-CD2 3.75Å; K453-L458 VanDerWaalsContact O-CD2 3.27Å; K453-L458 WeakPolarHBondContact O-CD2 3.38Å
454R90.5Very high91.3Very high49 Ų4949.4 Ų49.419%0.18525%0.251CS..  trans-1250.5-175.7-46.8-175.5-169176.5-1.1113.7Q355 F357 D358 L364 D450 V452Q355-R454 WeakPolarHBondContact O-CD 3.46Å; Q355-R454 PolarHBondContact O-NH1 2.97Å; F357-R454 WeakPolarHBondContact CA-O 3.43Å; F357-R454 HydrophobicContact CD1-CB 3.82Å; F357-R454 HydrophobicContact CD1-CG 4.23Å; F357-R454 HydrophobicContact CE1-CB 3.99Å; F357-R454 HydrophobicContact CE1-CG 3.91Å; F357-R454 HydrophobicContact CG-CB 4.28Å; F357-R454 HydrophobicContact CZ-CG 4.13Å; D358-R454 PolarHBondContact N-O 3.45Å; L364-R454 VanDerWaalsContact CD1-NH2 3.33Å; D450-R454 PolarHBondContact O-NH2 3.48Å; V452-R454 HydrophobicContact CG1-CG 4.47Å; V452-R454 VanDerWaalsContact O-CG 3.27Å; V452-R454 WeakPolarHBondContact O-CG 3.4Å
455K89.7Confident91.2Very high69 Ų6949.1 Ų49.130%0.325%0.25SS..SBendtrans-123.7137.9-172.9-57.5-60.9-177.7-170.50112.1L353 Q356 D358 K453L353-K455 PolarHBondContact O-NZ 2.87Å; Q356-K455 VanDerWaalsContact O-CE 3.3Å; Q356-K455 WeakPolarHBondContact O-CE 3.42Å; Q356-K455 PolarHBondContact O-NZ 2.73Å; D358-K455 HydrophobicContact CB-CD 3.81Å; D358-K455 VanDerWaalsContact OD1-CA 3.24Å; D358-K455 WeakPolarHBondContact OD1-CA 3.31Å; D358-K455 VanDerWaalsContact OD2-CA 3.26Å; D358-K455 WeakPolarHBondContact OD2-CA 3.48Å; D358-K455 WeakPolarHBondContact OD2-CB 3.4Å; D358-K455 WeakPolarHBondContact OD2-CD 3.46Å; K453-K455 WeakPolarHBondContact CE-O 3.02Å
456G84.7Confident91.1Very high29 Ų2949.1 Ų49.130%0.29925%0.25SC..SBendtrans65.3-155.6-178.600000112.9D358 L458D358-G456 PolarHBondContact OD1-N 3.39Å; D358-G456 PolarHBondContact OD2-N 2.95Å; G456-L458 WeakPolarHBondContact O-CG 3.3Å; G456-L458 PolarHBondContact O-N 3.24Å
457D79.3Confident91.1Very high140 Ų14049.5 Ų49.575%0.74925%0.252SS*.SBendtrans-62.6123.8-179.5-172.515.4000111.4K453K453-D457 PolarHBondContact NZ-O 3.04Å
458L81.5Confident91.1Very high17 Ų1749.5 Ų49.59%0.08925%0.252CS..  trans-112.6118-174.4-59.5-173.9000110.4F357 E360 K453 G456 L460F357-L458 HydrophobicContact CD1-CD1 3.49Å; F357-L458 VanDerWaalsContact CD1-CD1 3.49Å; F357-L458 HydrophobicContact CE1-CD1 3.67Å; E360-L458 HydrophobicContact CB-CD1 3.85Å; E360-L458 HydrophobicContact CG-CB 3.98Å; E360-L458 HydrophobicContact CG-CD1 3.63Å; E360-L458 HydrophobicContact CG-CG 3.88Å; K453-L458 HydrophobicContact CB-CD2 3.93Å; K453-L458 HydrophobicContact CD-CD2 3.91Å; K453-L458 HydrophobicContact CG-CD2 3.75Å; K453-L458 VanDerWaalsContact O-CD2 3.27Å; K453-L458 WeakPolarHBondContact O-CD2 3.38Å; G456-L458 WeakPolarHBondContact O-CG 3.3Å; G456-L458 PolarHBondContact O-N 3.24Å; L458-L460 HydrophobicContact CB-CD2 4.21Å; L458-L460 PolarHBondContact O-N 3.19Å
459S83.9Confident91.1Very high44 Ų4449.5 Ų49.531%0.30825%0.252SS..  trans-77.7112163.8175.40000109R461 D464S459-R461 PolarHBondContact O-N 3.38Å; S459-R461 WeakPolarHBondContact OG-CD 3.28Å; S459-R461 VanDerWaalsContact OG-CG 3.27Å; S459-R461 WeakPolarHBondContact OG-CG 3.11Å; S459-D464 WeakPolarHBondContact CB-OD2 3.11Å; S459-D464 WeakPolarHBondContact O-CB 3.36Å; S459-D464 PolarHBondContact OG-OD2 3.3Å
460L88Confident91Very high23 Ų2348.9 Ų48.912%0.1225%0.248CC..  trans-88.950.8177-57.4-179.7000110.8M444 L458 V466 N479 F531 W533M444-L460 HydrophobicContact CE-CB 3.94Å; M444-L460 HydrophobicContact CE-CD1 4.15Å; M444-L460 HydrophobicContact SD-CB 4.27Å; M444-L460 HydrophobicContact SD-CD1 3.48Å; M444-L460 WeakPolarHBondContact SD-CD1 3.24Å; L458-L460 HydrophobicContact CB-CD2 4.21Å; L458-L460 PolarHBondContact O-N 3.19Å; L460-V466 HydrophobicContact CB-CG1 4.47Å; L460-V466 HydrophobicContact CD2-CG2 4.44Å; L460-N479 WeakPolarHBondContact O-CB 3.25Å; L460-N479 PolarHBondContact O-ND2 3.34Å; L460-N479 VanDerWaalsContact O-ND2 3.08Å; L460-F531 HydrophobicContact CD2-CE1 4.39Å; L460-F531 HydrophobicContact CD2-CZ 3.88Å; L460-W533 HydrophobicContact CD1-CG 4.27Å
461R91.7Very high91Very high126 Ų12646.7 Ų46.748%0.47524%0.236SC..SBendtrans-114162.6-175-60.5-178.4-160.6-166.44.1112.7S459 E463 D464 G465 V466S459-R461 PolarHBondContact O-N 3.38Å; S459-R461 WeakPolarHBondContact OG-CD 3.28Å; S459-R461 VanDerWaalsContact OG-CG 3.27Å; S459-R461 WeakPolarHBondContact OG-CG 3.11Å; R461-E463 VanDerWaalsContact C-N 3.28Å; R461-E463 WeakPolarHBondContact CB-OE2 3.45Å; R461-E463 PolarHBondContact O-N 3.23Å; R461-D464 PolarHBondContact O-N 3.33Å; R461-D464 VanDerWaalsContact O-N 3.16Å; R461-G465 PolarHBondContact O-N 2.85Å; R461-V466 CarbonylContact C-O 3.6Å; R461-V466 PolarHBondContact O-N 2.98Å
462P94.4Very high91Very high20 Ų2044 Ų4413%0.1322%0.218CC..THydrogen-bonded Turntrans-63.9-34.5-178-25.740.7000112.1D464 G465 V466 N479 F520P462-D464 VanDerWaalsContact C-N 3.27Å; P462-D464 PolarHBondContact O-N 3.46Å; P462-G465 WeakPolarHBondContact O-CA 3.43Å; P462-G465 PolarHBondContact O-N 3.18Å; P462-V466 WeakPolarHBondContact CA-O 3.25Å; P462-V466 VanDerWaalsContact N-O 3.09Å; P462-N479 WeakPolarHBondContact CD-O 3.08Å; P462-N479 WeakPolarHBondContact CG-O 3.39Å; P462-F520 HydrophobicContact CG-CD1 4.17Å; P462-F520 HydrophobicContact CG-CE1 3.88Å
463E91.7Very high90.8Very high122 Ų12246.4 Ų46.457%0.5723%0.233SC*.THydrogen-bonded Turntrans-61.9-37.6177.8-6172.7-151.200111.3R461 G465R461-E463 VanDerWaalsContact C-N 3.28Å; R461-E463 WeakPolarHBondContact CB-OE2 3.45Å; R461-E463 PolarHBondContact O-N 3.23Å; E463-G465 PolarHBondContact O-N 3.23Å
464D91.7Very high90.6Very high85 Ų8544 Ų4446%0.45523%0.233SC..THydrogen-bonded Turntrans-83.5-0.6176.4-61.3-67.1000113S459 R461 P462S459-D464 WeakPolarHBondContact CB-OD2 3.11Å; S459-D464 WeakPolarHBondContact O-CB 3.36Å; S459-D464 PolarHBondContact OG-OD2 3.3Å; R461-D464 PolarHBondContact O-N 3.33Å; R461-D464 VanDerWaalsContact O-N 3.16Å; P462-D464 VanDerWaalsContact C-N 3.27Å; P462-D464 PolarHBondContact O-N 3.46Å
465G93.9Very high90.6Very high0 Ų042.2 Ų42.20%023%0.23CC..THydrogen-bonded Turntrans88.730.2174.300000114.5A448 K449 R461 P462 E463 W467A448-G465 CarbonylContact C-O 3.52Å; A448-G465 WeakPolarHBondContact CA-O 3.31Å; K449-G465 PolarHBondContact N-O 3.15Å; R461-G465 PolarHBondContact O-N 2.85Å; P462-G465 WeakPolarHBondContact O-CA 3.43Å; P462-G465 PolarHBondContact O-N 3.18Å; E463-G465 PolarHBondContact O-N 3.23Å; G465-W467 WeakPolarHBondContact O-CZ3 3.3Å
466V95.6Very high90.8Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-119.8121.6171.9-177.20000109.3A448 V452 L460 R461 P462 A468 F531A448-V466 HydrophobicContact CB-CG2 4.1Å; V452-V466 HydrophobicContact CG2-CG2 3.69Å; L460-V466 HydrophobicContact CB-CG1 4.47Å; L460-V466 HydrophobicContact CD2-CG2 4.44Å; R461-V466 CarbonylContact C-O 3.6Å; R461-V466 PolarHBondContact O-N 2.98Å; P462-V466 WeakPolarHBondContact CA-O 3.25Å; P462-V466 VanDerWaalsContact N-O 3.09Å; V466-A468 HydrophobicContact CG1-CB 4.11Å; V466-F531 HydrophobicContact CG1-CD1 3.77Å; V466-F531 HydrophobicContact CG1-CE1 3.76Å
467W97.3Very high91.3Very high9 Ų939.3 Ų39.33%0.03421%0.208CC..EExtended strand (participates in β ladder)trans-118.4101175.5-59.6-91.4000108.2G446 V447 K449 G465 V506 F520 T522 F524 L528G446-W467 WeakPolarHBondContact CA-O 3.42Å; V447-W467 HydrophobicContact CG2-CB 3.99Å; V447-W467 HydrophobicContact CG2-CE3 4.09Å; V447-W467 PolarHBondContact N-O 3.21Å; V447-W467 PolarHBondContact O-N 3.07Å; K449-W467 HydrophobicContact CG-CH2 4.18Å; K449-W467 HydrophobicContact CG-CZ3 4.01Å; G465-W467 WeakPolarHBondContact O-CZ3 3.3Å; W467-V506 HydrophobicContact CB-CG2 4.47Å; W467-F520 HydrophobicContact CB-CB 4.5Å; W467-F520 HydrophobicContact CB-CD1 4.49Å; W467-F520 HydrophobicContact CB-CD2 4.25Å; W467-F520 HydrophobicContact CB-CG 4.17Å; W467-F520 AromaticContact CD1-CD1 3.72Å; W467-F520 AromaticContact CD1-CG 3.82Å; W467-F520 HydrophobicContact CG-CB 4.44Å; W467-F520 HydrophobicContact CG-CG 4.41Å; W467-T522 HydrophobicContact CZ2-CG2 3.62Å; W467-F524 HydrophobicContact CD2-CE1 4.21Å; W467-F524 AromaticContact CE2-CE1 3.99Å; W467-F524 HydrophobicContact CE3-CE1 4.36Å; W467-F524 AromaticContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CE1 4Å; W467-F524 HydrophobicContact CZ2-CD1 4.14Å; W467-F524 AromaticContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ3-CD1 4.41Å; W467-F524 HydrophobicContact CZ3-CE1 4.27Å; W467-L528 HydrophobicContact CE3-CD2 4.2Å; W467-L528 HydrophobicContact CH2-CD2 4.12Å; W467-L528 HydrophobicContact CZ3-CD2 3.42Å; W467-L528 VanDerWaalsContact CZ3-CD2 3.42Å
468A97.4Very high92.1Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-146.5155.6-170.900000111.9M444 V445 V466 N479 F531M444-A468 HydrophobicContact CB-CB 4.36Å; M444-A468 HydrophobicContact CE-CB 3.61Å; V445-A468 VanDerWaalsContact O-CA 3.3Å; V445-A468 WeakPolarHBondContact O-CA 3.4Å; V445-A468 WeakPolarHBondContact O-CB 3.39Å; V466-A468 HydrophobicContact CG1-CB 4.11Å; A468-N479 PolarHBondContact O-N 2.97Å; A468-F531 HydrophobicContact CB-CD1 4.43Å
469L96.5Very high92.7Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-95.4135.3165.2-66.3-173.6000109.6M444 V445 W477 A478 L486 F508 I517M444-L469 WeakPolarHBondContact CA-O 3.3Å; M444-L469 WeakPolarHBondContact CB-O 2.9Å; V445-L469 PolarHBondContact N-O 3.34Å; V445-L469 PolarHBondContact O-N 3.31Å; L469-W477 CarbonylContact C-O 3.54Å; L469-W477 WeakPolarHBondContact CA-O 3.28Å; L469-A478 HydrophobicContact CD2-CB 3.98Å; L469-L486 HydrophobicContact CD2-CD1 3.67Å; L469-F508 HydrophobicContact CB-CD1 4.46Å; L469-F508 HydrophobicContact CD1-CB 3.43Å; L469-F508 VanDerWaalsContact CD1-CB 3.43Å; L469-F508 HydrophobicContact CD1-CD1 3.74Å; L469-F508 HydrophobicContact CD1-CD2 4.29Å; L469-F508 HydrophobicContact CD1-CG 3.56Å; L469-F508 HydrophobicContact CD2-CD2 4.31Å; L469-F508 HydrophobicContact CD2-CG 4.39Å; L469-F508 HydrophobicContact CG-CB 4.04Å; L469-F508 HydrophobicContact CG-CD1 3.71Å; L469-F508 HydrophobicContact CG-CD2 3.92Å; L469-F508 HydrophobicContact CG-CE1 4.1Å; L469-F508 HydrophobicContact CG-CE2 4.31Å; L469-F508 HydrophobicContact CG-CG 3.6Å; L469-F508 HydrophobicContact CG-CZ 4.39Å; L469-I517 HydrophobicContact CD1-CB 4.32Å; L469-I517 HydrophobicContact CD1-CD1 4.4Å; L469-I517 HydrophobicContact CD1-CG2 3.68Å
470R94.9Very high93.1Very high36 Ų3631.5 Ų31.514%0.13616%0.164CC..EExtended strand (participates in β ladder)trans-91.6127.9165.4-174.9175.773.1-143.6-5.2109.3C443 M444 I476 W477 N479 E483C443-R470 CarbonylContact O-C 3.58Å; C443-R470 WeakPolarHBondContact O-CA 3.37Å; M444-R470 HydrophobicContact CG-CB 4.01Å; M444-R470 HydrophobicContact CG-CG 4.15Å; R470-I476 WeakPolarHBondContact O-CA 3.36Å; R470-W477 PolarHBondContact N-O 3.37Å; R470-W477 PolarHBondContact O-N 3.2Å; R470-N479 WeakPolarHBondContact CB-OD1 3.38Å; R470-E483 IonicContact CZ-OE1 3.99Å; R470-E483 IonicContact CZ-OE2 3.24Å; R470-E483 IonicContact NH1-OE1 3.69Å; R470-E483 PolarHBondContact NH1-OE1 3.27Å; R470-E483 IonicContact NH1-OE2 3.34Å; R470-E483 PolarHBondContact NH1-OE2 2.87Å; R470-E483 VanDerWaalsContact NH1-OE2 3.1Å; R470-E483 IonicContact NH2-OE1 3.7Å; R470-E483 IonicContact NH2-OE2 3.93Å; R470-E483 PolarHBondContact NH2-OE2 3.39Å
471L93.9Very high93.1Very high10 Ų1033.8 Ų33.85%0.05218%0.182CC..EExtended strand (participates in β ladder)trans-110.8127.9173.5-49.6172.7000107.9S442 C443 I476 P492 V495S442-L471 VanDerWaalsContact CA-O 3.26Å; S442-L471 WeakPolarHBondContact CA-O 3.46Å; S442-L471 WeakPolarHBondContact CB-O 3.48Å; C443-L471 PolarHBondContact N-O 3.3Å; C443-L471 PolarHBondContact O-N 2.85Å; L471-I476 HydrophobicContact CD2-CB 4.37Å; L471-I476 HydrophobicContact CD2-CD1 4.17Å; L471-I476 HydrophobicContact CD2-CG1 3.79Å; L471-I476 HydrophobicContact CD2-CG2 3.83Å; L471-P492 HydrophobicContact CD2-CG 4.38Å; L471-V495 HydrophobicContact CD1-CG2 4.07Å
472S91.4Very high93Very high4 Ų433.3 Ų33.33%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-141170.6173.886.60000110.9E441 S474 G475 W477 R491E441-S472 WeakPolarHBondContact O-CB 3.46Å; S472-S474 PolarHBondContact O-N 2.97Å; S472-S474 PolarHBondContact OG-N 3.46Å; S472-S474 PolarHBondContact OG-OG 3.42Å; S472-G475 PolarHBondContact N-O 3.34Å; S472-G475 PolarHBondContact O-N 2.88Å; S472-G475 PolarHBondContact OG-N 3.22Å; S472-W477 WeakPolarHBondContact OG-CH2 3.47Å; S472-W477 WeakPolarHBondContact OG-CZ3 3.31Å; S472-R491 PolarHBondContact O-NH2 2.93Å; S472-R491 VanDerWaalsContact O-NH2 3.09Å
473P87.3Confident92.8Very high62 Ų6236.6 Ų36.640%0.40321%0.209SC..THydrogen-bonded Turntrans-56.3-32.4169.8-24.633.8000113.9E441 R491 W536E441-P473 HydrophobicContact CB-CG 4.46Å; E441-P473 WeakPolarHBondContact O-CD 2.88Å; P473-R491 VanDerWaalsContact C-NH2 3.3Å; P473-R491 PolarHBondContact O-NH2 3.42Å; P473-W536 HydrophobicContact CG-CH2 4.09Å; P473-W536 HydrophobicContact CG-CZ2 3.63Å
474S87.7Confident92.9Very high79 Ų7932.3 Ų32.355%0.55219%0.194SC*.THydrogen-bonded Turntrans-84.1-9.7-177.648.70000114.2S472 W477S472-S474 PolarHBondContact O-N 2.97Å; S472-S474 PolarHBondContact OG-N 3.46Å; S472-S474 PolarHBondContact OG-OG 3.42Å; S474-W477 VanDerWaalsContact C-CH2 3.45Å; S474-W477 WeakPolarHBondContact OG-CH2 3.39Å
475G90.9Very high93Very high12 Ų1232.8 Ų32.812%0.12419%0.193CC..EExtended strand (participates in β ladder)trans153.5-159.4178.500000114.5S472 W477S472-G475 PolarHBondContact N-O 3.34Å; S472-G475 PolarHBondContact O-N 2.88Å; S472-G475 PolarHBondContact OG-N 3.22Å; G475-W477 VanDerWaalsContact CA-CH2 3.41Å; G475-W477 WeakPolarHBondContact O-CZ3 3.2Å
476I93.9Very high92.9Very high6 Ų633.9 Ų33.93%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-133.1136.3179.9-59.9165.8000107.9R470 L471 L486 P488 P492R470-I476 WeakPolarHBondContact O-CA 3.36Å; L471-I476 HydrophobicContact CD2-CB 4.37Å; L471-I476 HydrophobicContact CD2-CD1 4.17Å; L471-I476 HydrophobicContact CD2-CG1 3.79Å; L471-I476 HydrophobicContact CD2-CG2 3.83Å; I476-L486 HydrophobicContact CB-CB 4.42Å; I476-L486 HydrophobicContact CG2-CB 4.27Å; I476-L486 HydrophobicContact CG2-CD1 4.18Å; I476-L486 PolarHBondContact O-N 3.23Å; I476-P488 HydrophobicContact CD1-CG 3.54Å; I476-P492 HydrophobicContact CD1-CG 3.87Å
477W95.3Very high92.6Very high31 Ų3141.7 Ų41.712%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-130.6140.2179-62.2-103.2000110.6L469 R470 S472 S474 G475 A484 Q485L469-W477 CarbonylContact C-O 3.54Å; L469-W477 WeakPolarHBondContact CA-O 3.28Å; R470-W477 PolarHBondContact N-O 3.37Å; R470-W477 PolarHBondContact O-N 3.2Å; S472-W477 WeakPolarHBondContact OG-CH2 3.47Å; S472-W477 WeakPolarHBondContact OG-CZ3 3.31Å; S474-W477 VanDerWaalsContact C-CH2 3.45Å; S474-W477 WeakPolarHBondContact OG-CH2 3.39Å; G475-W477 VanDerWaalsContact CA-CH2 3.41Å; G475-W477 WeakPolarHBondContact O-CZ3 3.2Å; W477-A484 CarbonylContact C-O 3.55Å; W477-A484 VanDerWaalsContact CA-O 3.27Å; W477-A484 WeakPolarHBondContact CA-O 3.37Å; W477-Q485 HydrophobicContact CZ2-CG 4.36Å
478A96.2Very high92Very high0 Ų042.6 Ų42.60%024%0.241CC..EExtended strand (participates in β ladder)trans-79.4126.615600000108.1L469 T480 A484 L486 Y518 F520L469-A478 HydrophobicContact CD2-CB 3.98Å; A478-T480 HydrophobicContact CB-CG2 4.34Å; A478-T480 PolarHBondContact O-N 2.97Å; A478-T480 PolarHBondContact O-OG1 3.02Å; A478-A484 HydrophobicContact CB-CB 4.39Å; A478-A484 PolarHBondContact N-O 2.85Å; A478-A484 PolarHBondContact O-N 3.32Å; A478-A484 VanDerWaalsContact O-N 3.08Å; A478-L486 HydrophobicContact CB-CD1 4.14Å; A478-Y518 HydrophobicContact CB-CD1 3.7Å; A478-Y518 HydrophobicContact CB-CD2 4.17Å; A478-Y518 HydrophobicContact CB-CE1 3.66Å; A478-Y518 HydrophobicContact CB-CE2 4.14Å; A478-Y518 HydrophobicContact CB-CG 3.96Å; A478-F520 HydrophobicContact CB-CE1 4.47Å; A478-F520 HydrophobicContact CB-CE2 4.43Å; A478-F520 HydrophobicContact CB-CZ 3.84Å
479N92.8Very high91.2Very high9 Ų946 Ų465%0.04826%0.261CS..  trans-72.671.3174-7939.4000109.4M444 L460 P462 A468 R470M444-N479 HydrophobicContact CE-CB 4.41Å; M444-N479 WeakPolarHBondContact CE-ND2 3.31Å; L460-N479 WeakPolarHBondContact O-CB 3.25Å; L460-N479 PolarHBondContact O-ND2 3.34Å; L460-N479 VanDerWaalsContact O-ND2 3.08Å; P462-N479 WeakPolarHBondContact CD-O 3.08Å; P462-N479 WeakPolarHBondContact CG-O 3.39Å; A468-N479 PolarHBondContact O-N 2.97Å; R470-N479 WeakPolarHBondContact CB-OD1 3.38Å
480T93.5Very high90.7Very high28 Ų2849.6 Ų49.617%0.17228%0.28CS..  trans-98.1177.616947.40000110.1A478 P482 E483 A484 Y518 F520A478-T480 HydrophobicContact CB-CG2 4.34Å; A478-T480 PolarHBondContact O-N 2.97Å; A478-T480 PolarHBondContact O-OG1 3.02Å; T480-P482 CarbonylContact C-O 3.42Å; T480-P482 VanDerWaalsContact CB-O 3.29Å; T480-P482 WeakPolarHBondContact CB-O 2.99Å; T480-P482 CarbonylContact O-C 3.52Å; T480-P482 PolarHBondContact OG1-O 3.42Å; T480-E483 WeakPolarHBondContact O-CA 3.5Å; T480-E483 PolarHBondContact O-N 3.48Å; T480-A484 PolarHBondContact OG1-N 2.91Å; T480-Y518 HydrophobicContact CG2-CE1 4.36Å; T480-Y518 WeakPolarHBondContact CG2-OH 3.45Å; T480-F520 HydrophobicContact CG2-CD1 4.22Å; T480-F520 HydrophobicContact CG2-CE1 3.62Å; T480-F520 HydrophobicContact CG2-CZ 4.46Å
481S87.6Confident90.4Very high70 Ų7053.1 Ų53.149%0.4929%0.293SS..SBendtrans-119.6103.2171-178.20000109.8
482P89.6Confident90.2Very high116 Ų11652.9 Ų52.975%0.75329%0.292SS*.SBendcis-70.1162.6-1.331.7-36.4000113T480T480-P482 CarbonylContact C-O 3.42Å; T480-P482 VanDerWaalsContact CB-O 3.29Å; T480-P482 WeakPolarHBondContact CB-O 2.99Å; T480-P482 CarbonylContact O-C 3.52Å; T480-P482 PolarHBondContact OG1-O 3.42Å
483E89.2Confident90.3Very high90 Ų9057.3 Ų57.342%0.42131%0.309SS..  trans-60.3137.1174.6-69.1-171.1157.800109.9R470 T480R470-E483 IonicContact CZ-OE1 3.99Å; R470-E483 IonicContact CZ-OE2 3.24Å; R470-E483 IonicContact NH1-OE1 3.69Å; R470-E483 PolarHBondContact NH1-OE1 3.27Å; R470-E483 IonicContact NH1-OE2 3.34Å; R470-E483 PolarHBondContact NH1-OE2 2.87Å; R470-E483 VanDerWaalsContact NH1-OE2 3.1Å; R470-E483 IonicContact NH2-OE1 3.7Å; R470-E483 IonicContact NH2-OE2 3.93Å; R470-E483 PolarHBondContact NH2-OE2 3.39Å; T480-E483 WeakPolarHBondContact O-CA 3.5Å; T480-E483 PolarHBondContact O-N 3.48Å
484A93.3Very high90.6Very high31 Ų3157.6 Ų57.626%0.25630%0.302SS..EExtended strand (participates in β ladder)trans-106.9113.9179.500000109.5W477 A478 T480W477-A484 CarbonylContact C-O 3.55Å; W477-A484 VanDerWaalsContact CA-O 3.27Å; W477-A484 WeakPolarHBondContact CA-O 3.37Å; A478-A484 HydrophobicContact CB-CB 4.39Å; A478-A484 PolarHBondContact N-O 2.85Å; A478-A484 PolarHBondContact O-N 3.32Å; A478-A484 VanDerWaalsContact O-N 3.08Å; T480-A484 PolarHBondContact OG1-N 2.91Å
485Q94.6Very high91Very high95 Ų9554 Ų5444%0.44428%0.276SS..EExtended strand (participates in β ladder)trans-70.5137.9171.9-168173.312.100110.2W477 F487W477-Q485 HydrophobicContact CZ2-CG 4.36Å; Q485-F487 HydrophobicContact CB-CE2 4.34Å; Q485-F487 HydrophobicContact CB-CZ 4.32Å; Q485-F487 HydrophobicContact CG-CE1 4.2Å; Q485-F487 HydrophobicContact CG-CE2 4.11Å; Q485-F487 HydrophobicContact CG-CZ 3.72Å
486L92.5Very high91.2Very high23 Ų2353.4 Ų53.412%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-119.9142.5-174.8-53.8179.2000109.9L469 I476 A478 P488 I517 Y518L469-L486 HydrophobicContact CD2-CD1 3.67Å; I476-L486 HydrophobicContact CB-CB 4.42Å; I476-L486 HydrophobicContact CG2-CB 4.27Å; I476-L486 HydrophobicContact CG2-CD1 4.18Å; I476-L486 PolarHBondContact O-N 3.23Å; A478-L486 HydrophobicContact CB-CD1 4.14Å; L486-P488 WeakPolarHBondContact O-CD 3.3Å; L486-I517 HydrophobicContact CD1-CG2 3.72Å; L486-Y518 HydrophobicContact CD1-CD2 4.24Å; L486-Y518 HydrophobicContact CD1-CG 4.17Å; L486-Y518 HydrophobicContact CD2-CD2 3.69Å; L486-Y518 HydrophobicContact CD2-CE2 4.28Å; L486-Y518 HydrophobicContact CD2-CG 4.43Å
487F88.5Confident91.3Very high165 Ų16553.1 Ų53.172%0.72427%0.268SS*.  trans-125.671.6-177.4-55.9-84.5000109.4Q485Q485-F487 HydrophobicContact CB-CE2 4.34Å; Q485-F487 HydrophobicContact CB-CZ 4.32Å; Q485-F487 HydrophobicContact CG-CE1 4.2Å; Q485-F487 HydrophobicContact CG-CE2 4.11Å; Q485-F487 HydrophobicContact CG-CZ 3.72Å
488P84.8Confident91.3Very high28 Ų2851.8 Ų51.818%0.18226%0.264CS..  trans-65153.6172.330.2-33.3000109.9I476 L486 L490I476-P488 HydrophobicContact CD1-CG 3.54Å; L486-P488 WeakPolarHBondContact O-CD 3.3Å; P488-L490 VanDerWaalsContact C-N 3.27Å; P488-L490 PolarHBondContact O-N 2.8Å
489V81.4Confident91.3Very high72 Ų7251.8 Ų51.844%0.43626%0.264SS..SBendtrans-65.8-35.6-176.7-179.80000111.5E515V489-E515 PolarHBondContact N-OE2 3.26Å
490L85.5Confident91.5Very high75 Ų7552.2 Ų52.239%0.39327%0.266SS..SBendtrans-123.7135.5174-65.5172.9000109.1P488 N510P488-L490 VanDerWaalsContact C-N 3.27Å; P488-L490 PolarHBondContact O-N 2.8Å; L490-N510 PolarHBondContact O-ND2 2.79Å; L490-N510 VanDerWaalsContact O-ND2 3.12Å
491R88Confident91.7Very high110 Ų11052.5 Ų52.542%0.41527%0.265SS..  trans-63.4121.8173.8-179.1170.8-108.8152.4-4.6109.1S472 P473 R493S472-R491 PolarHBondContact O-NH2 2.93Å; S472-R491 VanDerWaalsContact O-NH2 3.09Å; P473-R491 VanDerWaalsContact C-NH2 3.3Å; P473-R491 PolarHBondContact O-NH2 3.42Å; R491-R493 PolarHBondContact O-N 3.26Å
492P91.2Very high92Very high5 Ų555 Ų553%0.03227%0.269CS..  trans-75.6122.9-175.530-31.4000110.7L471 I476 V495 N510 I517L471-P492 HydrophobicContact CD2-CG 4.38Å; I476-P492 HydrophobicContact CD1-CG 3.87Å; P492-V495 HydrophobicContact CB-CG2 4.02Å; P492-V495 HydrophobicContact CG-CG2 4.09Å; P492-N510 WeakPolarHBondContact CA-ND2 3.24Å; P492-N510 HydrophobicContact CB-CB 4.01Å; P492-I517 HydrophobicContact CB-CD1 4.25Å; P492-I517 HydrophobicContact CG-CD1 4Å
493R91.7Very high92.3Very high97 Ų9751.7 Ų51.737%0.36626%0.255SS..SBendtrans-82.6-25.1161.6-62.3-179.7173.5-164.2-2.4110.7E379 L380 R491 E512E379-R493 CarbonylContact C-O 3.46Å; E379-R493 WeakPolarHBondContact CA-O 3.37Å; L380-R493 PolarHBondContact N-O 3.49Å; R491-R493 PolarHBondContact O-N 3.26Å; R493-E512 WeakPolarHBondContact CB-OE1 3.46Å; R493-E512 PolarHBondContact N-OE2 3.25Å; R493-E512 VanDerWaalsContact N-OE2 3.15Å
494R94.7Very high92.7Very high68 Ų6847.7 Ų47.726%0.25724%0.238SC..EExtended strand (participates in β ladder)trans-125.9127.2174.3-162.5-179.8-56.1162.44.1112.1E377 V378 E379 A511 E512E377-R494 HydrophobicContact CB-CG 4.19Å; E377-R494 WeakPolarHBondContact OE2-CD 3.27Å; E377-R494 IonicContact OE2-NE 2.77Å; E377-R494 IonicContact OE2-NH1 3.99Å; V378-R494 CarbonylContact O-C 3.59Å; V378-R494 WeakPolarHBondContact O-CA 3.27Å; E379-R494 HydrophobicContact CB-CG 4.08Å; E379-R494 IonicContact OE1-CZ 3.14Å; E379-R494 IonicContact OE1-NE 3.65Å; E379-R494 PolarHBondContact OE1-NE 2.99Å; E379-R494 IonicContact OE1-NH2 3.64Å; E379-R494 PolarHBondContact OE1-NH2 3.38Å; E379-R494 IonicContact OE2-NH2 2.68Å; R494-A511 HydrophobicContact CB-CB 4Å; R494-A511 HydrophobicContact CG-CB 3.8Å; R494-A511 PolarHBondContact O-N 3.37Å; R494-E512 HydrophobicContact CB-CG 4.19Å
495V95.6Very high92.8Very high2 Ų247.4 Ų47.41%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-108.8120.6179.2-1780000109.8E377 V378 V445 L471 P492 I497 F508 T509E377-V495 CarbonylContact C-O 3.58Å; E377-V495 WeakPolarHBondContact CA-O 3.29Å; V378-V495 PolarHBondContact N-O 2.87Å; V378-V495 PolarHBondContact O-N 3.48Å; V445-V495 HydrophobicContact CG2-CB 4.02Å; V445-V495 HydrophobicContact CG2-CG1 3.88Å; V445-V495 HydrophobicContact CG2-CG2 4.23Å; L471-V495 HydrophobicContact CD1-CG2 4.07Å; P492-V495 HydrophobicContact CB-CG2 4.02Å; P492-V495 HydrophobicContact CG-CG2 4.09Å; V495-I497 HydrophobicContact CG1-CG1 4.36Å; V495-F508 HydrophobicContact CG1-CB 4.49Å; V495-F508 HydrophobicContact CG1-CD1 3.88Å; V495-T509 CarbonylContact C-O 3.08Å; V495-T509 WeakPolarHBondContact CA-O 3.45Å
496G95.3Very high92.9Very high0 Ų042.9 Ų42.90%021%0.212CC..EExtended strand (participates in β ladder)trans-85.4130.2169.900000111.5Y375 F508 T509Y375-G496 VanDerWaalsContact CE2-CA 3.44Å; Y375-G496 VanDerWaalsContact OH-CA 3.27Å; Y375-G496 WeakPolarHBondContact OH-CA 3.5Å; G496-F508 CarbonylContact O-C 3.32Å; G496-F508 WeakPolarHBondContact O-CA 3.47Å; G496-T509 WeakPolarHBondContact CA-OG1 3.12Å; G496-T509 PolarHBondContact N-O 3.15Å; G496-T509 PolarHBondContact O-N 3.07Å; G496-T509 PolarHBondContact O-OG1 3.49Å
497I96.3Very high93.1Very high0 Ų042.4 Ų42.40%021%0.21CC..EExtended strand (participates in β ladder)trans-116114.5-178.4-56169.8000108.6Y375 W376 V378 V445 V447 V495 V506 F508Y375-I497 VanDerWaalsContact CA-O 3.31Å; Y375-I497 WeakPolarHBondContact CA-O 3.47Å; Y375-I497 VanDerWaalsContact CD2-O 3.32Å; Y375-I497 WeakPolarHBondContact CD2-O 3.36Å; W376-I497 HydrophobicContact CD2-CB 4.34Å; W376-I497 HydrophobicContact CH2-CG2 3.92Å; W376-I497 HydrophobicContact CZ2-CB 4Å; W376-I497 HydrophobicContact CZ2-CD1 4.33Å; W376-I497 HydrophobicContact CZ2-CG2 3.53Å; W376-I497 PolarHBondContact N-O 2.85Å; W376-I497 VanDerWaalsContact N-O 3.11Å; W376-I497 PolarHBondContact O-N 3.15Å; V378-I497 HydrophobicContact CG2-CD1 3.68Å; V445-I497 HydrophobicContact CB-CD1 4.17Å; V445-I497 HydrophobicContact CG2-CD1 4.48Å; V447-I497 HydrophobicContact CG1-CG2 4.37Å; V495-I497 HydrophobicContact CG1-CG1 4.36Å; I497-V506 HydrophobicContact CG2-CG1 4.3Å; I497-F508 HydrophobicContact CD1-CE1 4.26Å; I497-F508 HydrophobicContact CG1-CD1 3.98Å; I497-F508 HydrophobicContact CG1-CE1 3.85Å; I497-F508 HydrophobicContact CG2-CE1 4.27Å
498A95.6Very high93.4Very high3 Ų334.5 Ų34.53%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-109.8119.7178.500000110Y316 V374 Y375 V506 T507Y316-A498 HydrophobicContact CD1-CB 3.88Å; Y316-A498 HydrophobicContact CD2-CB 4.28Å; Y316-A498 HydrophobicContact CE1-CB 3.66Å; Y316-A498 HydrophobicContact CE2-CB 4.06Å; Y316-A498 HydrophobicContact CG-CB 4.21Å; V374-A498 WeakPolarHBondContact O-CA 3.49Å; Y375-A498 HydrophobicContact CD2-CB 4Å; A498-V506 CarbonylContact O-C 3.57Å; A498-V506 WeakPolarHBondContact O-CA 3.19Å; A498-T507 PolarHBondContact N-O 2.76Å; A498-T507 PolarHBondContact O-N 2.76Å
499L96.6Very high93.8Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-108.6118.5175.6168.565.2000109.5F369 K373 V374 W376 V506 F524 L528F369-L499 HydrophobicContact CB-CD2 3.85Å; F369-L499 HydrophobicContact CD2-CD2 4.06Å; F369-L499 HydrophobicContact CG-CD2 4.23Å; K373-L499 CarbonylContact C-O 3.58Å; K373-L499 VanDerWaalsContact CA-O 3.29Å; K373-L499 WeakPolarHBondContact CA-O 3.45Å; V374-L499 HydrophobicContact CG2-CB 3.93Å; V374-L499 HydrophobicContact CG2-CD2 4.18Å; V374-L499 HydrophobicContact CG2-CG 4.35Å; V374-L499 PolarHBondContact N-O 3.28Å; V374-L499 PolarHBondContact O-N 2.93Å; W376-L499 HydrophobicContact CH2-CB 4.49Å; W376-L499 HydrophobicContact CZ3-CB 4.4Å; L499-V506 HydrophobicContact CD1-CG2 3.71Å; L499-F524 HydrophobicContact CD1-CD2 4.26Å; L499-F524 HydrophobicContact CD1-CE2 3.69Å; L499-F524 HydrophobicContact CD1-CZ 4.11Å; L499-L528 HydrophobicContact CD1-CD1 3.63Å; L499-L528 HydrophobicContact CD2-CB 4.21Å; L499-L528 HydrophobicContact CD2-CD1 4.11Å
500D96.2Very high94.3Very high18 Ų1830 Ų3010%0.09615%0.148CC..EExtended strand (participates in β ladder)trans-103.898.3166.4-175.1-7.4000108.2Y316 K373 G503 G504 T505Y316-D500 HydrophobicContact CE1-CB 4.22Å; K373-D500 VanDerWaalsContact CE-CG 3.45Å; K373-D500 WeakPolarHBondContact CE-OD2 3.34Å; K373-D500 HydrophobicContact CG-CB 4.2Å; K373-D500 IonicContact NZ-OD2 3.1Å; K373-D500 PolarHBondContact NZ-OD2 3.3Å; D500-G503 WeakPolarHBondContact OD1-CA 3.29Å; D500-G503 PolarHBondContact OD1-N 3.29Å; D500-G504 PolarHBondContact O-N 3.35Å; D500-T505 WeakPolarHBondContact CB-OG1 3.43Å; D500-T505 PolarHBondContact N-O 3.37Å; D500-T505 PolarHBondContact O-N 3.19Å
501Y96.9Very high94.6Very high34 Ų3426.9 Ų26.913%0.13313%0.133CC..THydrogen-bonded Turntrans-68.4-46.3-172.5-168.9-86.1000112T370 G372 G504 F524 R526 L528T370-Y501 VanDerWaalsContact C-CD1 3.41Å; T370-Y501 VanDerWaalsContact O-CD1 3.22Å; T370-Y501 WeakPolarHBondContact O-CD1 3.33Å; T370-Y501 WeakPolarHBondContact O-CE1 3.46Å; G372-Y501 PolarHBondContact O-N 2.97Å; Y501-G504 PolarHBondContact O-N 2.91Å; Y501-F524 HydrophobicContact CD2-CB 4.13Å; Y501-F524 HydrophobicContact CD2-CD2 4.29Å; Y501-F524 HydrophobicContact CD2-CG 4.49Å; Y501-F524 HydrophobicContact CE1-CB 4.32Å; Y501-F524 HydrophobicContact CE2-CB 3.7Å; Y501-F524 HydrophobicContact CE2-CG 4.44Å; Y501-F524 WeakPolarHBondContact O-CD2 3.49Å; Y501-R526 VanDerWaalsContact CE2-O 3.3Å; Y501-R526 WeakPolarHBondContact CE2-O 3.46Å; Y501-R526 PolarHBondContact OH-N 3.17Å; Y501-R526 PolarHBondContact OH-O 3.3Å; Y501-L528 HydrophobicContact CE2-CG 4.3Å
502E95.4Very high94.6Very high123 Ų12326 Ų2658%0.57513%0.133SC*.THydrogen-bonded Turntrans-74.5-37-180-65.786.9164.300112.2W371 G372 G504W371-E502 WeakPolarHBondContact CA-OE1 3.49Å; W371-E502 WeakPolarHBondContact CB-OE1 3.26Å; G372-E502 WeakPolarHBondContact CA-OE2 3.44Å; G372-E502 PolarHBondContact N-OE1 2.92Å; G372-E502 PolarHBondContact N-OE2 3.25Å; E502-G504 PolarHBondContact O-N 2.97Å
503G95.2Very high94.4Very high46 Ų4626.4 Ų26.447%0.47414%0.136SC..THydrogen-bonded Turntrans-74.2-14.4174.600000113.5D500D500-G503 WeakPolarHBondContact OD1-CA 3.29Å; D500-G503 PolarHBondContact OD1-N 3.29Å
504G96.6Very high94.1Very high6 Ų623.4 Ų23.46%0.06213%0.126CC..THydrogen-bonded Turntrans74.333.9175.200000113.5D500 Y501 E502 T521 T522 F524D500-G504 PolarHBondContact O-N 3.35Å; Y501-G504 PolarHBondContact O-N 2.91Å; E502-G504 PolarHBondContact O-N 2.97Å; G504-T521 CarbonylContact O-C 3.3Å; G504-T521 VanDerWaalsContact O-CA 3.31Å; G504-T521 WeakPolarHBondContact O-CA 3.19Å; G504-T522 CarbonylContact C-O 3.49Å; G504-T522 WeakPolarHBondContact CA-O 3.42Å; G504-T522 PolarHBondContact O-N 2.79Å; G504-F524 VanDerWaalsContact C-CE2 3.44Å
505T96.8Very high93.8Very high25 Ų2520.6 Ų20.615%0.15312%0.116CC..EExtended strand (participates in β ladder)trans-126.3145-179.169.10000113.7D500 T519 F520 T521D500-T505 WeakPolarHBondContact CB-OG1 3.43Å; D500-T505 PolarHBondContact N-O 3.37Å; D500-T505 PolarHBondContact O-N 3.19Å; T505-T519 HydrophobicContact CG2-CG2 4.18Å; T505-F520 CarbonylContact C-O 3.51Å; T505-F520 WeakPolarHBondContact CA-O 3.42Å; T505-T521 HydrophobicContact CG2-CG2 4.31Å
506V96.8Very high93.4Very high0 Ų022.6 Ų22.60%013%0.126CC..EExtended strand (participates in β ladder)trans-122.2113.5165.4177.50000107.1V447 W467 I497 A498 L499 F508 T519 F520 F524V447-V506 HydrophobicContact CG2-CB 4.36Å; V447-V506 HydrophobicContact CG2-CG1 4.03Å; V447-V506 HydrophobicContact CG2-CG2 3.47Å; V447-V506 VanDerWaalsContact CG2-CG2 3.47Å; W467-V506 HydrophobicContact CB-CG2 4.47Å; I497-V506 HydrophobicContact CG2-CG1 4.3Å; A498-V506 CarbonylContact O-C 3.57Å; A498-V506 WeakPolarHBondContact O-CA 3.19Å; L499-V506 HydrophobicContact CD1-CG2 3.71Å; V506-F508 HydrophobicContact CB-CE2 4.48Å; V506-F508 HydrophobicContact CG1-CD2 4.32Å; V506-F508 HydrophobicContact CG1-CE2 3.52Å; V506-F508 HydrophobicContact CG1-CZ 3.73Å; V506-T519 CarbonylContact O-C 3.34Å; V506-T519 WeakPolarHBondContact O-CA 3.38Å; V506-F520 HydrophobicContact CB-CB 4.43Å; V506-F520 PolarHBondContact N-O 2.96Å; V506-F520 PolarHBondContact O-N 3.05Å; V506-F524 HydrophobicContact CG2-CE1 4.39Å; V506-F524 HydrophobicContact CG2-CE2 4.45Å; V506-F524 HydrophobicContact CG2-CZ 3.7Å
507T95.2Very high93.2Very high13 Ų1323.6 Ų23.68%0.0813%0.132CC..EExtended strand (participates in β ladder)trans-111.7132-174-65.20000110.4A498 T509 L516 Y518 T519A498-T507 PolarHBondContact N-O 2.76Å; A498-T507 PolarHBondContact O-N 2.76Å; T507-T509 HydrophobicContact CG2-CG2 4.48Å; T507-L516 HydrophobicContact CG2-CD1 3.17Å; T507-Y518 CarbonylContact C-O 3.57Å; T507-Y518 WeakPolarHBondContact CA-O 3.46Å; T507-T519 WeakPolarHBondContact CG2-OG1 3.26Å; T507-T519 VanDerWaalsContact OG1-CG2 3.31Å; T507-T519 WeakPolarHBondContact OG1-CG2 3.32Å; T507-T519 PolarHBondContact OG1-OG1 3.35Å
508F94.9Very high93Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-109.4134.7179.2-65.6-89.7000109.9V445 L469 V495 G496 I497 V506 I517 Y518 F520V445-F508 WeakPolarHBondContact O-CE1 2.94Å; L469-F508 HydrophobicContact CB-CD1 4.46Å; L469-F508 HydrophobicContact CD1-CB 3.43Å; L469-F508 VanDerWaalsContact CD1-CB 3.43Å; L469-F508 HydrophobicContact CD1-CD1 3.74Å; L469-F508 HydrophobicContact CD1-CD2 4.29Å; L469-F508 HydrophobicContact CD1-CG 3.56Å; L469-F508 HydrophobicContact CD2-CD2 4.31Å; L469-F508 HydrophobicContact CD2-CG 4.39Å; L469-F508 HydrophobicContact CG-CB 4.04Å; L469-F508 HydrophobicContact CG-CD1 3.71Å; L469-F508 HydrophobicContact CG-CD2 3.92Å; L469-F508 HydrophobicContact CG-CE1 4.1Å; L469-F508 HydrophobicContact CG-CE2 4.31Å; L469-F508 HydrophobicContact CG-CG 3.6Å; L469-F508 HydrophobicContact CG-CZ 4.39Å; V495-F508 HydrophobicContact CG1-CB 4.49Å; V495-F508 HydrophobicContact CG1-CD1 3.88Å; G496-F508 CarbonylContact O-C 3.32Å; G496-F508 WeakPolarHBondContact O-CA 3.47Å; I497-F508 HydrophobicContact CD1-CE1 4.26Å; I497-F508 HydrophobicContact CG1-CD1 3.98Å; I497-F508 HydrophobicContact CG1-CE1 3.85Å; I497-F508 HydrophobicContact CG2-CE1 4.27Å; V506-F508 HydrophobicContact CB-CE2 4.48Å; V506-F508 HydrophobicContact CG1-CD2 4.32Å; V506-F508 HydrophobicContact CG1-CE2 3.52Å; V506-F508 HydrophobicContact CG1-CZ 3.73Å; F508-I517 HydrophobicContact CB-CB 4.33Å; F508-I517 PolarHBondContact O-N 3.26Å; F508-Y518 PolarHBondContact N-O 2.93Å; F508-Y518 PolarHBondContact O-N 3.46Å; F508-F520 HydrophobicContact CD2-CD2 4.09Å; F508-F520 HydrophobicContact CD2-CE2 4.04Å; F508-F520 AromaticContact CE2-CD2 3.56Å; F508-F520 HydrophobicContact CE2-CD2 3.56Å; F508-F520 AromaticContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CE2-CE2 3.49Å; F508-F520 VanDerWaalsContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CZ-CE2 4.4Å
509T93.1Very high93Very high5 Ų528.8 Ų28.83%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-130.6147.2179.650.10000109.9V495 G496 T507 A511 E515 L516 I517V495-T509 CarbonylContact C-O 3.08Å; V495-T509 WeakPolarHBondContact CA-O 3.45Å; G496-T509 WeakPolarHBondContact CA-OG1 3.12Å; G496-T509 PolarHBondContact N-O 3.15Å; G496-T509 PolarHBondContact O-N 3.07Å; G496-T509 PolarHBondContact O-OG1 3.49Å; T507-T509 HydrophobicContact CG2-CG2 4.48Å; T509-A511 PolarHBondContact O-N 3.43Å; T509-E515 CarbonylContact C-O 3.57Å; T509-E515 WeakPolarHBondContact CA-O 3.35Å; T509-E515 WeakPolarHBondContact CB-O 3.46Å; T509-L516 HydrophobicContact CG2-CD1 4.39Å; T509-I517 VanDerWaalsContact C-CD1 3.45Å
510N92.1Very high93Very high1 Ų129.2 Ų29.21%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-71.9113.9161.2178.5-30.2000105.5L490 P492 E512 S513 Q514 E515 I517L490-N510 PolarHBondContact O-ND2 2.79Å; L490-N510 VanDerWaalsContact O-ND2 3.12Å; P492-N510 WeakPolarHBondContact CA-ND2 3.24Å; P492-N510 HydrophobicContact CB-CB 4.01Å; N510-E512 VanDerWaalsContact C-N 3.26Å; N510-E512 PolarHBondContact O-N 3.24Å; N510-E512 WeakPolarHBondContact OD1-CB 3.33Å; N510-E512 PolarHBondContact OD1-N 3.03Å; N510-S513 VanDerWaalsContact CB-OG 3.31Å; N510-S513 WeakPolarHBondContact CB-OG 3.39Å; N510-S513 PolarHBondContact ND2-OG 2.94Å; N510-S513 PolarHBondContact OD1-N 2.91Å; N510-Q514 CarbonylContact O-C 3.51Å; N510-Q514 WeakPolarHBondContact O-CA 3.46Å; N510-Q514 PolarHBondContact O-N 3.37Å; N510-E515 HydrophobicContact CB-CB 4.39Å; N510-E515 PolarHBondContact N-O 3.33Å; N510-I517 HydrophobicContact CB-CD1 4.04Å; N510-I517 HydrophobicContact CB-CG1 4.27Å; N510-I517 VanDerWaalsContact N-CD1 3.3Å
511A91.8Very high93Very high8 Ų833.7 Ų33.77%0.06619%0.186CC..THydrogen-bonded Turntrans-72.5-21.9-173.800000112.3E377 R494 T509 Q514E377-A511 HydrophobicContact CG-CB 4.02Å; R494-A511 HydrophobicContact CB-CB 4Å; R494-A511 HydrophobicContact CG-CB 3.8Å; R494-A511 PolarHBondContact O-N 3.37Å; T509-A511 PolarHBondContact O-N 3.43Å; A511-Q514 PolarHBondContact O-NE2 3.05Å
512E89.4Confident92.9Very high93 Ų9334.6 Ų34.644%0.43520%0.195SC..THydrogen-bonded Turntrans-79.6-55.6177.6-64.5161.2144.400109.9R493 R494 N510 Q514R493-E512 WeakPolarHBondContact CB-OE1 3.46Å; R493-E512 PolarHBondContact N-OE2 3.25Å; R493-E512 VanDerWaalsContact N-OE2 3.15Å; R494-E512 HydrophobicContact CB-CG 4.19Å; N510-E512 VanDerWaalsContact C-N 3.26Å; N510-E512 PolarHBondContact O-N 3.24Å; N510-E512 WeakPolarHBondContact OD1-CB 3.33Å; N510-E512 PolarHBondContact OD1-N 3.03Å; E512-Q514 VanDerWaalsContact C-N 3.33Å
513S86.9Confident92.8Very high12 Ų1234.5 Ų34.58%0.08420%0.203CC..THydrogen-bonded Turntrans-78.7-19.7-178.980.30000112.7Q305 N510 E515Q305-S513 WeakPolarHBondContact CB-O 3.24Å; Q305-S513 WeakPolarHBondContact CG-O 3.47Å; Q305-S513 PolarHBondContact NE2-O 3.34Å; Q305-S513 VanDerWaalsContact NE2-O 3.12Å; N510-S513 VanDerWaalsContact CB-OG 3.31Å; N510-S513 WeakPolarHBondContact CB-OG 3.39Å; N510-S513 PolarHBondContact ND2-OG 2.94Å; N510-S513 PolarHBondContact OD1-N 2.91Å; S513-E515 PolarHBondContact O-N 3.49Å; S513-E515 VanDerWaalsContact OG-CB 3.26Å; S513-E515 WeakPolarHBondContact OG-CB 3.44Å; S513-E515 PolarHBondContact OG-N 2.86Å
514Q85.4Confident92.8Very high35 Ų3533.1 Ų33.116%0.16418%0.184CC..  trans726.8-174.4-46-87.8-68.500113.8Q305 K309 R312 N510 A511 E512Q305-Q514 HydrophobicContact CB-CB 4.19Å; K309-Q514 HydrophobicContact CB-CB 4.47Å; K309-Q514 VanDerWaalsContact CB-OE1 3.26Å; R312-Q514 VanDerWaalsContact NH2-CD 3.34Å; N510-Q514 CarbonylContact O-C 3.51Å; N510-Q514 WeakPolarHBondContact O-CA 3.46Å; N510-Q514 PolarHBondContact O-N 3.37Å; A511-Q514 PolarHBondContact O-NE2 3.05Å; E512-Q514 VanDerWaalsContact C-N 3.33Å
515E86.7Confident92.6Very high8 Ų838.2 Ų38.24%0.03721%0.214CC..  trans-66.2136.6179.1-178178.9-164.300111.6V489 T509 N510 S513 I517V489-E515 PolarHBondContact N-OE2 3.26Å; T509-E515 CarbonylContact C-O 3.57Å; T509-E515 WeakPolarHBondContact CA-O 3.35Å; T509-E515 WeakPolarHBondContact CB-O 3.46Å; N510-E515 HydrophobicContact CB-CB 4.39Å; N510-E515 PolarHBondContact N-O 3.33Å; S513-E515 PolarHBondContact O-N 3.49Å; S513-E515 VanDerWaalsContact OG-CB 3.26Å; S513-E515 WeakPolarHBondContact OG-CB 3.44Å; S513-E515 PolarHBondContact OG-N 2.86Å; E515-I517 PolarHBondContact O-N 3.17Å
516L88.5Confident92.5Very high45 Ų4543.7 Ų43.724%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-70.1115.8166.5178.369.8000110.1T507 T509T507-L516 HydrophobicContact CG2-CD1 3.17Å; T509-L516 HydrophobicContact CG2-CD1 4.39Å
517I90.7Very high92.5Very high21 Ų2149.1 Ų49.111%0.10825%0.253CS..EExtended strand (participates in β ladder)trans-85.2-55.4178.6-61.3169.7000110.1L469 L486 P492 F508 T509 N510 E515L469-I517 HydrophobicContact CD1-CB 4.32Å; L469-I517 HydrophobicContact CD1-CD1 4.4Å; L469-I517 HydrophobicContact CD1-CG2 3.68Å; L486-I517 HydrophobicContact CD1-CG2 3.72Å; P492-I517 HydrophobicContact CB-CD1 4.25Å; P492-I517 HydrophobicContact CG-CD1 4Å; F508-I517 HydrophobicContact CB-CB 4.33Å; F508-I517 PolarHBondContact O-N 3.26Å; T509-I517 VanDerWaalsContact C-CD1 3.45Å; N510-I517 HydrophobicContact CB-CD1 4.04Å; N510-I517 HydrophobicContact CB-CG1 4.27Å; N510-I517 VanDerWaalsContact N-CD1 3.3Å; E515-I517 PolarHBondContact O-N 3.17Å
518Y93Very high92.6Very high64 Ų6448.6 Ų48.625%0.25125%0.249SC..EExtended strand (participates in β ladder)trans-162.2154.2-175.7-166.1-102.3000112.5A478 T480 L486 T507 F508 F520A478-Y518 HydrophobicContact CB-CD1 3.7Å; A478-Y518 HydrophobicContact CB-CD2 4.17Å; A478-Y518 HydrophobicContact CB-CE1 3.66Å; A478-Y518 HydrophobicContact CB-CE2 4.14Å; A478-Y518 HydrophobicContact CB-CG 3.96Å; T480-Y518 HydrophobicContact CG2-CE1 4.36Å; T480-Y518 WeakPolarHBondContact CG2-OH 3.45Å; L486-Y518 HydrophobicContact CD1-CD2 4.24Å; L486-Y518 HydrophobicContact CD1-CG 4.17Å; L486-Y518 HydrophobicContact CD2-CD2 3.69Å; L486-Y518 HydrophobicContact CD2-CE2 4.28Å; L486-Y518 HydrophobicContact CD2-CG 4.43Å; T507-Y518 CarbonylContact C-O 3.57Å; T507-Y518 WeakPolarHBondContact CA-O 3.46Å; F508-Y518 PolarHBondContact N-O 2.93Å; F508-Y518 PolarHBondContact O-N 3.46Å; Y518-F520 AromaticContact CD1-CD2 3.71Å; Y518-F520 HydrophobicContact CD1-CD2 3.71Å; Y518-F520 AromaticContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CG 4.23Å; Y518-F520 HydrophobicContact CD1-CZ 4.04Å; Y518-F520 AromaticContact CE1-CD1 3.91Å; Y518-F520 HydrophobicContact CE1-CD1 3.91Å; Y518-F520 AromaticContact CE1-CD2 3.83Å; Y518-F520 HydrophobicContact CE1-CD2 3.83Å; Y518-F520 AromaticContact CE1-CE1 3.9Å; Y518-F520 HydrophobicContact CE1-CE1 3.9Å; Y518-F520 AromaticContact CE1-CE2 3.83Å; Y518-F520 HydrophobicContact CE1-CE2 3.83Å; Y518-F520 AromaticContact CE1-CG 3.89Å; Y518-F520 HydrophobicContact CE1-CG 3.89Å; Y518-F520 AromaticContact CE1-CZ 3.87Å; Y518-F520 HydrophobicContact CE1-CZ 3.87Å
519T94.7Very high92.7Very high47 Ų4749 Ų4929%0.28825%0.252SS..EExtended strand (participates in β ladder)trans-131.2122.5172.9-630000110.5T505 V506 T507T505-T519 HydrophobicContact CG2-CG2 4.18Å; V506-T519 CarbonylContact O-C 3.34Å; V506-T519 WeakPolarHBondContact O-CA 3.38Å; T507-T519 WeakPolarHBondContact CG2-OG1 3.26Å; T507-T519 VanDerWaalsContact OG1-CG2 3.31Å; T507-T519 WeakPolarHBondContact OG1-CG2 3.32Å; T507-T519 PolarHBondContact OG1-OG1 3.35Å
520F96.6Very high92.9Very high10 Ų1048.8 Ų48.84%0.04425%0.251CS..EExtended strand (participates in β ladder)trans-84.7140.2164.4-65.4-94.7000109.7P462 W467 A478 T480 T505 V506 F508 Y518P462-F520 HydrophobicContact CG-CD1 4.17Å; P462-F520 HydrophobicContact CG-CE1 3.88Å; W467-F520 HydrophobicContact CB-CB 4.5Å; W467-F520 HydrophobicContact CB-CD1 4.49Å; W467-F520 HydrophobicContact CB-CD2 4.25Å; W467-F520 HydrophobicContact CB-CG 4.17Å; W467-F520 AromaticContact CD1-CD1 3.72Å; W467-F520 AromaticContact CD1-CG 3.82Å; W467-F520 HydrophobicContact CG-CB 4.44Å; W467-F520 HydrophobicContact CG-CG 4.41Å; A478-F520 HydrophobicContact CB-CE1 4.47Å; A478-F520 HydrophobicContact CB-CE2 4.43Å; A478-F520 HydrophobicContact CB-CZ 3.84Å; T480-F520 HydrophobicContact CG2-CD1 4.22Å; T480-F520 HydrophobicContact CG2-CE1 3.62Å; T480-F520 HydrophobicContact CG2-CZ 4.46Å; T505-F520 CarbonylContact C-O 3.51Å; T505-F520 WeakPolarHBondContact CA-O 3.42Å; V506-F520 HydrophobicContact CB-CB 4.43Å; V506-F520 PolarHBondContact N-O 2.96Å; V506-F520 PolarHBondContact O-N 3.05Å; F508-F520 HydrophobicContact CD2-CD2 4.09Å; F508-F520 HydrophobicContact CD2-CE2 4.04Å; F508-F520 AromaticContact CE2-CD2 3.56Å; F508-F520 HydrophobicContact CE2-CD2 3.56Å; F508-F520 AromaticContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CE2-CE2 3.49Å; F508-F520 VanDerWaalsContact CE2-CE2 3.49Å; F508-F520 HydrophobicContact CZ-CE2 4.4Å; Y518-F520 AromaticContact CD1-CD2 3.71Å; Y518-F520 HydrophobicContact CD1-CD2 3.71Å; Y518-F520 AromaticContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CE2 3.6Å; Y518-F520 HydrophobicContact CD1-CG 4.23Å; Y518-F520 HydrophobicContact CD1-CZ 4.04Å; Y518-F520 AromaticContact CE1-CD1 3.91Å; Y518-F520 HydrophobicContact CE1-CD1 3.91Å; Y518-F520 AromaticContact CE1-CD2 3.83Å; Y518-F520 HydrophobicContact CE1-CD2 3.83Å; Y518-F520 AromaticContact CE1-CE1 3.9Å; Y518-F520 HydrophobicContact CE1-CE1 3.9Å; Y518-F520 AromaticContact CE1-CE2 3.83Å; Y518-F520 HydrophobicContact CE1-CE2 3.83Å; Y518-F520 AromaticContact CE1-CG 3.89Å; Y518-F520 HydrophobicContact CE1-CG 3.89Å; Y518-F520 AromaticContact CE1-CZ 3.87Å; Y518-F520 HydrophobicContact CE1-CZ 3.87Å
521T96.2Very high93.2Very high112 Ų11248.8 Ų48.869%0.68725%0.251SS*.EExtended strand (participates in β ladder)trans-125.4127.7175.5-55.10000109.7G504 T505G504-T521 CarbonylContact O-C 3.3Å; G504-T521 VanDerWaalsContact O-CA 3.31Å; G504-T521 WeakPolarHBondContact O-CA 3.19Å; T505-T521 HydrophobicContact CG2-CG2 4.31Å
522T94.4Very high93.4Very high52 Ų5248.6 Ų48.632%0.31925%0.248SC..  trans-164.9171.7-179-166.40000111.2W467 G504 F524W467-T522 HydrophobicContact CZ2-CG2 3.62Å; G504-T522 CarbonylContact C-O 3.49Å; G504-T522 WeakPolarHBondContact CA-O 3.42Å; G504-T522 PolarHBondContact O-N 2.79Å; T522-F524 HydrophobicContact CG2-CD1 3.49Å; T522-F524 VanDerWaalsContact CG2-CD1 3.49Å; T522-F524 HydrophobicContact CG2-CE1 3.01Å; T522-F524 HydrophobicContact CG2-CE2 4.46Å; T522-F524 HydrophobicContact CG2-CG 4.4Å; T522-F524 HydrophobicContact CG2-CZ 3.55Å
523T94.7Very high93.7Very high121 Ų12145.1 Ų45.174%0.74223%0.231SC*.  trans-98.5109.7174.9-53.80000110.2
524F94.1Very high94.1Very high18 Ų1844.6 Ų44.68%0.07923%0.227CC..  trans-78.3129.6177.5-52.9-55.5000111.5W467 L499 Y501 G504 V506 T522 L528W467-F524 HydrophobicContact CD2-CE1 4.21Å; W467-F524 AromaticContact CE2-CE1 3.99Å; W467-F524 HydrophobicContact CE3-CE1 4.36Å; W467-F524 AromaticContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CD1 3.95Å; W467-F524 HydrophobicContact CH2-CE1 4Å; W467-F524 HydrophobicContact CZ2-CD1 4.14Å; W467-F524 AromaticContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ2-CE1 3.9Å; W467-F524 HydrophobicContact CZ3-CD1 4.41Å; W467-F524 HydrophobicContact CZ3-CE1 4.27Å; L499-F524 HydrophobicContact CD1-CD2 4.26Å; L499-F524 HydrophobicContact CD1-CE2 3.69Å; L499-F524 HydrophobicContact CD1-CZ 4.11Å; Y501-F524 HydrophobicContact CD2-CB 4.13Å; Y501-F524 HydrophobicContact CD2-CD2 4.29Å; Y501-F524 HydrophobicContact CD2-CG 4.49Å; Y501-F524 HydrophobicContact CE1-CB 4.32Å; Y501-F524 HydrophobicContact CE2-CB 3.7Å; Y501-F524 HydrophobicContact CE2-CG 4.44Å; Y501-F524 WeakPolarHBondContact O-CD2 3.49Å; G504-F524 VanDerWaalsContact C-CE2 3.44Å; V506-F524 HydrophobicContact CG2-CE1 4.39Å; V506-F524 HydrophobicContact CG2-CE2 4.45Å; V506-F524 HydrophobicContact CG2-CZ 3.7Å; T522-F524 HydrophobicContact CG2-CD1 3.49Å; T522-F524 VanDerWaalsContact CG2-CD1 3.49Å; T522-F524 HydrophobicContact CG2-CE1 3.01Å; T522-F524 HydrophobicContact CG2-CE2 4.46Å; T522-F524 HydrophobicContact CG2-CG 4.4Å; T522-F524 HydrophobicContact CG2-CZ 3.55Å; F524-L528 HydrophobicContact CD1-CD1 3.56Å; F524-L528 HydrophobicContact CD1-CD2 4.38Å; F524-L528 HydrophobicContact CD1-CG 4.34Å; F524-L528 HydrophobicContact CD2-CD1 4.11Å; F524-L528 HydrophobicContact CE1-CD1 3.66Å; F524-L528 HydrophobicContact CE2-CD1 4.22Å; F524-L528 HydrophobicContact CG-CD1 3.8Å; F524-L528 HydrophobicContact CZ-CD1 4.03Å
525T92.2Very high94.4Very high113 Ų11346 Ų4669%0.69323%0.233SC*.  trans-121.3-9.7-179.353.50000113.3
526R94.1Very high94.6Very high140 Ų14045.9 Ų45.953%0.52823%0.232SC..SBendtrans-130.2167.9-177.3-67-165.4173.4-149.2-4.3110.3S451 Y501 L528S451-R526 PolarHBondContact OG-NH1 2.77Å; S451-R526 VanDerWaalsContact OG-NH1 3.07Å; Y501-R526 VanDerWaalsContact CE2-O 3.3Å; Y501-R526 WeakPolarHBondContact CE2-O 3.46Å; Y501-R526 PolarHBondContact OH-N 3.17Å; Y501-R526 PolarHBondContact OH-O 3.3Å; R526-L528 PolarHBondContact O-N 2.93Å
527R96.9Very high94.6Very high114 Ų11447.1 Ų47.143%0.4324%0.243SC..  trans-63.9131.4173.6178.9-173.6-64.3-964.1109.4G368 F369 T370 D450G368-R527 PolarHBondContact O-NH1 3.33Å; F369-R527 WeakPolarHBondContact O-CA 3.49Å; T370-R527 HydrophobicContact CG2-CB 3.62Å; T370-R527 HydrophobicContact CG2-CG 3.91Å; D450-R527 HydrophobicContact CB-CB 4.41Å; D450-R527 HydrophobicContact CB-CG 4.45Å; D450-R527 PolarHBondContact N-O 3.42Å; D450-R527 WeakPolarHBondContact OD2-CB 3.21Å
528L97.8Very high94.3Very high2 Ų248.4 Ų48.41%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-100.7142172.3-62.5-175.2000110G368 F369 V447 A448 K449 W467 L499 Y501 F524 R526G368-L528 CarbonylContact C-O 3.47Å; G368-L528 VanDerWaalsContact C-O 3.3Å; G368-L528 WeakPolarHBondContact CA-O 3.2Å; F369-L528 PolarHBondContact N-O 2.9Å; F369-L528 PolarHBondContact O-N 3.19Å; V447-L528 HydrophobicContact CG2-CD1 4.24Å; A448-L528 CarbonylContact O-C 3.44Å; A448-L528 VanDerWaalsContact O-CA 3.31Å; A448-L528 WeakPolarHBondContact O-CA 3.37Å; K449-L528 HydrophobicContact CG-CD2 4.04Å; W467-L528 HydrophobicContact CE3-CD2 4.2Å; W467-L528 HydrophobicContact CH2-CD2 4.12Å; W467-L528 HydrophobicContact CZ3-CD2 3.42Å; W467-L528 VanDerWaalsContact CZ3-CD2 3.42Å; L499-L528 HydrophobicContact CD1-CD1 3.63Å; L499-L528 HydrophobicContact CD2-CB 4.21Å; L499-L528 HydrophobicContact CD2-CD1 4.11Å; Y501-L528 HydrophobicContact CE2-CG 4.3Å; F524-L528 HydrophobicContact CD1-CD1 3.56Å; F524-L528 HydrophobicContact CD1-CD2 4.38Å; F524-L528 HydrophobicContact CD1-CG 4.34Å; F524-L528 HydrophobicContact CD2-CD1 4.11Å; F524-L528 HydrophobicContact CE1-CD1 3.66Å; F524-L528 HydrophobicContact CE2-CD1 4.22Å; F524-L528 HydrophobicContact CG-CD1 3.8Å; F524-L528 HydrophobicContact CZ-CD1 4.03Å; R526-L528 PolarHBondContact O-N 2.93Å
529V97.5Very high94.2Very high8 Ų845.5 Ų45.55%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-123.6148175.6-70.50000108.8L364 V447 A448 D450 F531L364-V529 HydrophobicContact CB-CG2 4.12Å; L364-V529 HydrophobicContact CD1-CG2 4.25Å; L364-V529 HydrophobicContact CD2-CG2 3.74Å; L364-V529 HydrophobicContact CG-CG2 4.24Å; V447-V529 CarbonylContact C-O 3.54Å; V447-V529 VanDerWaalsContact CA-O 3.27Å; V447-V529 WeakPolarHBondContact CA-O 3.35Å; A448-V529 PolarHBondContact N-O 2.87Å; A448-V529 WeakPolarHBondContact O-CG2 3.45Å; A448-V529 PolarHBondContact O-N 2.67Å; D450-V529 HydrophobicContact CB-CG1 4.15Å; V529-F531 PolarHBondContact O-N 3.31Å
530P97.7Very high94.2Very high1 Ų147.2 Ų47.21%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-52.1141.2166.2-27.538.1000110.1V321 L364 G365 K367 F369 W376V321-P530 HydrophobicContact CB-CG 4.45Å; V321-P530 HydrophobicContact CG1-CB 3.8Å; V321-P530 HydrophobicContact CG1-CG 3.53Å; V321-P530 HydrophobicContact CG2-CG 4Å; L364-P530 CarbonylContact C-O 3.44Å; L364-P530 WeakPolarHBondContact CA-O 3.31Å; G365-P530 PolarHBondContact N-O 2.81Å; K367-P530 WeakPolarHBondContact O-CD 3.37Å; F369-P530 HydrophobicContact CE2-CG 4.05Å; W376-P530 HydrophobicContact CH2-CG 4.09Å; W376-P530 HydrophobicContact CZ2-CB 3.88Å; W376-P530 HydrophobicContact CZ2-CG 3.75Å
531F97.4Very high94.2Very high1 Ų146.8 Ų46.80%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-133.2128.3-178.3172.1-108.2000109F357 L364 M444 G446 A448 L460 V466 A468 V529 W533F357-F531 HydrophobicContact CE2-CE2 4.39Å; F357-F531 HydrophobicContact CZ-CD2 4.45Å; F357-F531 AromaticContact CZ-CE2 3.93Å; F357-F531 HydrophobicContact CZ-CE2 3.93Å; L364-F531 HydrophobicContact CD2-CB 4.4Å; L364-F531 HydrophobicContact CD2-CD2 3.75Å; M444-F531 HydrophobicContact CE-CE1 4.42Å; G446-F531 PolarHBondContact N-O 3.11Å; G446-F531 PolarHBondContact O-N 3.5Å; A448-F531 HydrophobicContact CB-CB 3.78Å; A448-F531 HydrophobicContact CB-CD2 4.26Å; A448-F531 HydrophobicContact CB-CG 4.03Å; L460-F531 HydrophobicContact CD2-CE1 4.39Å; L460-F531 HydrophobicContact CD2-CZ 3.88Å; V466-F531 HydrophobicContact CG1-CD1 3.77Å; V466-F531 HydrophobicContact CG1-CE1 3.76Å; A468-F531 HydrophobicContact CB-CD1 4.43Å; V529-F531 PolarHBondContact O-N 3.31Å; F531-W533 HydrophobicContact CE1-CB 4.04Å; F531-W533 HydrophobicContact CZ-CB 3.85Å; F531-W533 HydrophobicContact CZ-CG 4.49Å
532L97.3Very high94.2Very high4 Ų442.8 Ų42.82%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-123.5143.7171.9-54.8-178.8000109L323 V341 G362 V363 V378 M444 V445 L541 L543L323-L532 HydrophobicContact CD1-CD1 4.29Å; L323-L532 HydrophobicContact CD2-CD1 3.78Å; L323-L532 HydrophobicContact CD2-CG 4.31Å; V341-L532 HydrophobicContact CG1-CD1 3.76Å; G362-L532 CarbonylContact C-O 3.59Å; G362-L532 WeakPolarHBondContact CA-O 3.42Å; V363-L532 HydrophobicContact CG1-CB 3.87Å; V363-L532 PolarHBondContact N-O 3.38Å; V363-L532 PolarHBondContact O-N 3.37Å; V378-L532 HydrophobicContact CG1-CD2 3.93Å; V378-L532 HydrophobicContact CG2-CD2 4Å; M444-L532 WeakPolarHBondContact O-CA 3.21Å; V445-L532 HydrophobicContact CB-CD2 4.27Å; V445-L532 HydrophobicContact CG1-CD2 3.99Å; L532-L541 HydrophobicContact CB-CD1 4.12Å; L532-L541 HydrophobicContact CD1-CB 4.27Å; L532-L541 HydrophobicContact CD1-CD1 4.38Å; L532-L541 HydrophobicContact CD2-CD1 4.31Å; L532-L543 HydrophobicContact CD1-CD2 4.49Å
533W95.6Very high94.3Very high19 Ų1940.7 Ų40.77%0.07221%0.211CC..EExtended strand (participates in β ladder)trans-136.6136.3172.1-176.7104.4000108.1E360 P361 S442 C443 M444 L460 F531 K535E360-W533 WeakPolarHBondContact OE2-CZ2 3.37Å; E360-W533 PolarHBondContact OE2-NE1 3.45Å; P361-W533 HydrophobicContact CG-CD2 4.17Å; P361-W533 HydrophobicContact CG-CZ2 3.89Å; P361-W533 WeakPolarHBondContact O-CA 3.4Å; S442-W533 VanDerWaalsContact O-CZ3 3.28Å; S442-W533 WeakPolarHBondContact O-CZ3 3.1Å; S442-W533 WeakPolarHBondContact OG-CZ3 3.28Å; C443-W533 CarbonylContact C-O 3.51Å; C443-W533 VanDerWaalsContact CA-O 3.22Å; C443-W533 WeakPolarHBondContact CA-O 3.36Å; C443-W533 WeakPolarHBondContact CB-O 3.36Å; M444-W533 HydrophobicContact CB-CB 4.02Å; M444-W533 HydrophobicContact CG-CB 4.39Å; M444-W533 HydrophobicContact CG-CE3 4.19Å; M444-W533 PolarHBondContact N-O 3.44Å; M444-W533 PolarHBondContact O-N 3.13Å; L460-W533 HydrophobicContact CD1-CG 4.27Å; F531-W533 HydrophobicContact CE1-CB 4.04Å; F531-W533 HydrophobicContact CZ-CB 3.85Å; F531-W533 HydrophobicContact CZ-CG 4.49Å; W533-K535 HydrophobicContact CE3-CB 4.29Å; W533-K535 HydrophobicContact CH2-CB 3.16Å; W533-K535 HydrophobicContact CH2-CD 3.79Å; W533-K535 HydrophobicContact CH2-CG 4.12Å; W533-K535 HydrophobicContact CZ2-CB 3.77Å; W533-K535 HydrophobicContact CZ2-CD 4.04Å; W533-K535 HydrophobicContact CZ3-CB 3.45Å; W533-K535 VanDerWaalsContact CZ3-CB 3.45Å
534L95Very high94.1Very high1 Ų139.5 Ų39.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-145.5107-173.2-177.664.3000111L332 Y343 P361 C443 W536 A539 L541L332-L534 HydrophobicContact CD2-CB 4.17Å; Y343-L534 WeakPolarHBondContact CB-O 3.36Å; Y343-L534 WeakPolarHBondContact CD2-O 3.49Å; P361-L534 WeakPolarHBondContact CB-O 3.34Å; P361-L534 WeakPolarHBondContact CG-O 3.49Å; P361-L534 PolarHBondContact O-N 3.41Å; C443-L534 HydrophobicContact CB-CD1 3.51Å; L534-W536 HydrophobicContact CD1-CB 3.84Å; L534-A539 HydrophobicContact CD1-CB 4.3Å; L534-L541 HydrophobicContact CB-CD1 4.3Å; L534-L541 HydrophobicContact CD1-CD1 4.39Å; L534-L541 HydrophobicContact CD1-CG 4.26Å; L534-L541 HydrophobicContact CD2-CG 4.48Å
535K92.2Very high93.1Very high66 Ų6642.9 Ų42.929%0.28722%0.217SC..EExtended strand (participates in β ladder)trans-122.558170.9-161.4-176.6-173.2-172.20108.5Y343 P361 V439 E441 S442 W533Y343-K535 HydrophobicContact CE1-CG 4.37Å; Y343-K535 HydrophobicContact CE2-CG 4.36Å; P361-K535 HydrophobicContact CG-CB 3.79Å; P361-K535 HydrophobicContact CG-CG 4.23Å; V439-K535 HydrophobicContact CG1-CD 3.98Å; V439-K535 HydrophobicContact CG1-CG 4.39Å; E441-K535 WeakPolarHBondContact CA-O 3.36Å; S442-K535 PolarHBondContact N-O 3.46Å; S442-K535 CarbonylContact O-C 3.09Å; S442-K535 PolarHBondContact O-N 3.31Å; W533-K535 HydrophobicContact CE3-CB 4.29Å; W533-K535 HydrophobicContact CH2-CB 3.16Å; W533-K535 HydrophobicContact CH2-CD 3.79Å; W533-K535 HydrophobicContact CH2-CG 4.12Å; W533-K535 HydrophobicContact CZ2-CB 3.77Å; W533-K535 HydrophobicContact CZ2-CD 4.04Å; W533-K535 HydrophobicContact CZ3-CB 3.45Å; W533-K535 VanDerWaalsContact CZ3-CB 3.45Å
536W90Very high93.1Very high5 Ų539.4 Ų39.42%0.01919%0.193CC..  trans-135.2100.8-177.6-161.9-13.8000109.2L380 W385 E441 P473 L534 G538 A539L380-W536 HydrophobicContact CD2-CE3 4.45Å; L380-W536 HydrophobicContact CD2-CH2 4.42Å; L380-W536 HydrophobicContact CD2-CZ3 3.86Å; W385-W536 HydrophobicContact CZ2-CH2 4.34Å; W385-W536 HydrophobicContact CZ2-CZ2 4.48Å; E441-W536 HydrophobicContact CB-CD2 4.43Å; E441-W536 HydrophobicContact CB-CG 4.16Å; E441-W536 PolarHBondContact OE2-NE1 3.37Å; P473-W536 HydrophobicContact CG-CH2 4.09Å; P473-W536 HydrophobicContact CG-CZ2 3.63Å; L534-W536 HydrophobicContact CD1-CB 3.84Å; W536-G538 PolarHBondContact O-N 2.63Å; W536-A539 HydrophobicContact CB-CB 3.88Å; W536-A539 HydrophobicContact CD2-CB 4.22Å; W536-A539 HydrophobicContact CG-CB 3.81Å; W536-A539 PolarHBondContact O-N 3.14Å
537P87.7Confident93.1Very high71 Ų7134.1 Ų34.146%0.46118%0.176SC..THydrogen-bonded Turntrans-56.6137.1179-25.235.2000112.2Y343 A539Y343-P537 HydrophobicContact CD1-CG 4.27Å; Y343-P537 HydrophobicContact CE1-CG 4.3Å; P537-A539 PolarHBondContact O-N 3.42Å
538G86Confident92.9Very high48 Ų4829.7 Ų29.750%0.49516%0.161SC..THydrogen-bonded Turntrans74.4-2.618000000115.4W536W536-G538 PolarHBondContact O-N 2.63Å
539A90.9Very high92.6Very high3 Ų331.3 Ų31.33%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-96.9155.9173.600000111.8L380 E381 R382 L534 W536 P537L380-A539 HydrophobicContact CD1-CB 4.09Å; E381-A539 CarbonylContact O-C 3.58Å; E381-A539 WeakPolarHBondContact O-CA 3.37Å; R382-A539 HydrophobicContact CB-CB 4.16Å; R382-A539 HydrophobicContact CG-CB 4.49Å; L534-A539 HydrophobicContact CD1-CB 4.3Å; W536-A539 HydrophobicContact CB-CB 3.88Å; W536-A539 HydrophobicContact CD2-CB 4.22Å; W536-A539 HydrophobicContact CG-CB 3.81Å; W536-A539 PolarHBondContact O-N 3.14Å; P537-A539 PolarHBondContact O-N 3.42Å
540R93.9Very high92.3Very high82 Ų8232.8 Ų32.831%0.30918%0.178SC..EExtended strand (participates in β ladder)trans-139.3146172.868.4177.788.6150.3-6.7110.4V341 T342 E381 E383 L542V341-R540 CarbonylContact O-C 3.55Å; V341-R540 VanDerWaalsContact O-CA 3.23Å; V341-R540 WeakPolarHBondContact O-CA 3.38Å; V341-R540 WeakPolarHBondContact O-CB 3.44Å; T342-R540 HydrophobicContact CG2-CB 3.56Å; E381-R540 HydrophobicContact CB-CG 3.61Å; E381-R540 PolarHBondContact N-O 3.43Å; E381-R540 PolarHBondContact O-N 3.11Å; E381-R540 VanDerWaalsContact OE2-CD 3.31Å; E381-R540 WeakPolarHBondContact OE2-CD 3.47Å; E381-R540 IonicContact OE2-CZ 2.7Å; E381-R540 IonicContact OE2-NE 2.67Å; E381-R540 IonicContact OE2-NH1 2.71Å; E381-R540 PolarHBondContact OE2-NH1 3.17Å; E383-R540 IonicContact OE1-NH2 2.87Å; E383-R540 PolarHBondContact OE1-NH2 3.23Å; R540-L542 HydrophobicContact CG-CD1 3.75Å
541L96.6Very high91.9Very high1 Ų134.9 Ų34.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-106.6130.6172.2-60.4170.7000109.3C340 V341 V378 E379 L380 C443 V445 L532 L534C340-L541 CarbonylContact C-O 3.54Å; C340-L541 VanDerWaalsContact CA-O 3.29Å; C340-L541 WeakPolarHBondContact CA-O 3.47Å; V341-L541 HydrophobicContact CG1-CB 3.67Å; V341-L541 HydrophobicContact CG1-CD1 4.25Å; V341-L541 HydrophobicContact CG1-CG 4.37Å; V341-L541 PolarHBondContact N-O 3.48Å; V341-L541 PolarHBondContact O-N 3.08Å; V378-L541 HydrophobicContact CG1-CB 4.03Å; V378-L541 HydrophobicContact CG1-CD2 4.18Å; E379-L541 CarbonylContact O-C 3.5Å; E379-L541 VanDerWaalsContact O-CA 3.31Å; E379-L541 WeakPolarHBondContact O-CA 3.33Å; L380-L541 HydrophobicContact CB-CD2 4.15Å; L380-L541 HydrophobicContact CD1-CD2 3.7Å; C443-L541 HydrophobicContact CB-CD1 4.17Å; C443-L541 HydrophobicContact CB-CD2 4.32Å; V445-L541 HydrophobicContact CG1-CD1 4.27Å; V445-L541 HydrophobicContact CG1-CD2 4.26Å; L532-L541 HydrophobicContact CB-CD1 4.12Å; L532-L541 HydrophobicContact CD1-CB 4.27Å; L532-L541 HydrophobicContact CD1-CD1 4.38Å; L532-L541 HydrophobicContact CD2-CD1 4.31Å; L534-L541 HydrophobicContact CB-CD1 4.3Å; L534-L541 HydrophobicContact CD1-CD1 4.39Å; L534-L541 HydrophobicContact CD1-CG 4.26Å; L534-L541 HydrophobicContact CD2-CG 4.48Å
542L96.4Very high91.5Very high28 Ų2837.3 Ų37.315%0.14720%0.203CC..EExtended strand (participates in β ladder)trans-117.3127.9179.6-56.990.5000110.8K339 C340 V378 E379 E381 R540 R544K339-L542 CarbonylContact O-C 3.56Å; K339-L542 WeakPolarHBondContact O-CA 3.23Å; C340-L542 HydrophobicContact CB-CG 4.43Å; V378-L542 CarbonylContact C-O 3.58Å; V378-L542 WeakPolarHBondContact CA-O 3.18Å; E379-L542 HydrophobicContact CB-CB 4.38Å; E379-L542 PolarHBondContact N-O 2.86Å; E379-L542 PolarHBondContact O-N 3.33Å; E381-L542 HydrophobicContact CB-CD1 3.83Å; E381-L542 HydrophobicContact CG-CD1 3.55Å; R540-L542 HydrophobicContact CG-CD1 3.75Å; L542-R544 PolarHBondContact O-N 3.19Å
543L96.5Very high91.1Very high9 Ų939.8 Ų39.85%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-79.1112.1172.5-70.5168.4000110.2V321 L323 K339 V378 L532V321-L543 HydrophobicContact CB-CD1 4.28Å; V321-L543 HydrophobicContact CB-CD2 4.25Å; V321-L543 HydrophobicContact CG1-CD1 3.84Å; V321-L543 HydrophobicContact CG1-CD2 4.1Å; V321-L543 WeakPolarHBondContact O-CD1 3.33Å; L323-L543 HydrophobicContact CD1-CD1 4.43Å; L323-L543 HydrophobicContact CD2-CD1 3.73Å; L323-L543 HydrophobicContact CG-CD1 3.69Å; K339-L543 HydrophobicContact CD-CB 3.98Å; K339-L543 PolarHBondContact O-N 3.43Å; V378-L543 HydrophobicContact CG2-CD2 4.05Å; L532-L543 HydrophobicContact CD1-CD2 4.49Å
544R91.2Very high90.7Very high95 Ų9541.6 Ų41.636%0.35823%0.229SC..EExtended strand (participates in β ladder)trans-97144173.7-64.3-64.7-172.3166-0.1109.7E377 E379 E381 L542E377-R544 HydrophobicContact CB-CB 3.83Å; E377-R544 PolarHBondContact N-O 3.48Å; E377-R544 PolarHBondContact O-N 3.06Å; E379-R544 HydrophobicContact CB-CG 4.2Å; E379-R544 IonicContact OE2-CZ 3.48Å; E379-R544 IonicContact OE2-NE 3.56Å; E379-R544 PolarHBondContact OE2-NE 3.36Å; E379-R544 IonicContact OE2-NH2 3.32Å; E379-R544 PolarHBondContact OE2-NH2 2.88Å; E381-R544 IonicContact OE1-NH2 3.8Å; L542-R544 PolarHBondContact O-N 3.19Å
545P72Confident90.3Very high90 Ų9045.3 Ų45.358%0.58425%0.249SC*.  trans-59.50-178.425-33.3000112.3T318T318-P545 WeakPolarHBondContact CG2-OXT 3.41Å

Retrieved 545 of 545 residues in 1268 ms (Link to these results)